A0A077ZG31_TRITR Loading...

HEGF domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZG31, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 138 aa.

						>A0A077ZG31_TRITR|A0A077ZG31
MQQDGSFKCVCESGYTGRLCEKRDYCIGHKCVKGATCVSQRRMYFCVCPHGYTGRFCADQISSKLNNCFDIFLKFFFTVKNLPILYQFKKTKARRQHRHLAFSVSSVPIPIENVISETLSPELISWTLSSTTSGNVRY
					

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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	39	Very low	68.4	Low	247 Å²	247	129.8 Å²	129.8	100%	1.217	71%	0.71	S	S	*	*				0	102.8	0	-68.4	-170.6	172.7	0	0	109.2
2	Q	51.9	Low	70	Confident	142 Å²	142	132.1 Å²	132.1	66%	0.664	71%	0.712	S	S	*	*			trans	-172.6	87.5	145.4	-167.2	87.5	58.8	0	0	103.3
3	Q	44.8	Very low	71.3	Confident	204 Å²	204	130.8 Å²	130.8	95%	0.953	72%	0.719	S	S	*	*			trans	-98.3	80.8	-180	-91.6	-172	-29.9	0	0	108.7
4	D	59.9	Low	72.5	Confident	130 Å²	130	122.6 Å²	122.6	70%	0.695	68%	0.68	S	S	*	*	S	Bend	trans	-164.3	66.5	159.7	-170.1	24	0	0	0	109.7	S6	D4-S6 WeakPolarHBondContact O-CB 3.35Å; D4-S6 PolarHBondContact O-N 3.4Å; D4-S6 PolarHBondContact O-OG 2.8Å
5	G	66.9	Low	73.6	Confident	93 Å²	93	121 Å²	121	96%	0.959	66%	0.66	S	S	*	*	S	Bend	trans	51.8	-1.5	168.9	0	0	0	0	0	119.2
6	S	74.7	Confident	74.4	Confident	71 Å²	71	117.5 Å²	117.5	50%	0.497	64%	0.644	S	S	.	*			trans	-121	110.4	-170.9	55.1	0	0	0	0	106.4	D4	D4-S6 WeakPolarHBondContact O-CB 3.35Å; D4-S6 PolarHBondContact O-N 3.4Å; D4-S6 PolarHBondContact O-OG 2.8Å
7	F	75.4	Confident	75	Confident	125 Å²	125	112.3 Å²	112.3	55%	0.548	62%	0.624	S	S	.	*			trans	-83.5	132.2	168.9	66.9	-83.7	0	0	0	107.4	L19	F7-L19 HydrophobicContact CE2-CD2 3.33Å; F7-L19 HydrophobicContact CZ-CD2 3.6Å
8	K	79.6	Confident	75.6	Confident	180 Å²	180	116.3 Å²	116.3	78%	0.783	63%	0.628	S	S	*	*			trans	-109.5	117.7	169.2	-175.7	176.9	178.5	-178.8	0	107.2
9	C	85.1	Confident	76.2	Confident	48 Å²	48	115.1 Å²	115.1	32%	0.324	62%	0.62	S	S	.	*			trans	-71.9	134	171.7	-64.8	0	0	0	0	109.2	C20	C9-C20 VanDerWaalsContact CB-SG 3.6Å
10	V	88.3	Confident	76.8	Confident	145 Å²	145	110.6 Å²	110.6	88%	0.879	60%	0.597	S	S	*	*			trans	-84.7	114.5	166.3	180	0	0	0	0	106.5
11	C	87.1	Confident	77.4	Confident	43 Å²	43	110.3 Å²	110.3	29%	0.291	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-85.4	141.6	-177.9	-55.1	0	0	0	0	111.5	Y15 C20	C11-Y15 VanDerWaalsContact CB-O 3.27Å; C11-Y15 WeakPolarHBondContact CB-O 3.38Å; C11-C20 WeakPolarHBondContact CA-SG 3.23Å; C11-C20 HydrophobicContact CB-CB 3.71Å; C11-C20 WeakPolarHBondContact CB-SG 3.06Å; C11-C20 VanDerWaalsContact SG-CA 3.5Å; C11-C20 WeakPolarHBondContact SG-CB 3.34Å; C11-C20 CovalentContact SG-SG 2.03Å; C11-C20 PolarHBondContact SG-SG 2.9Å
12	E	87.8	Confident	79.7	Confident	157 Å²	157	104.5 Å²	104.5	73%	0.734	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-65.8	154.2	167.2	-167.8	172.6	-164.2	0	0	110.5	G14 Y15	E12-G14 PolarHBondContact O-N 2.58Å; E12-G14 VanDerWaalsContact O-N 3.13Å; E12-Y15 PolarHBondContact O-N 3.46Å
13	S	86.8	Confident	81.4	Confident	116 Å²	116	104 Å²	104	81%	0.811	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.6	119.1	176.8	-63.3	0	0	0	0	111.3
14	G	88.3	Confident	83.5	Confident	16 Å²	16	96.7 Å²	96.7	17%	0.165	52%	0.52	C	S	.	.	T	Hydrogen-bonded Turn	trans	101.1	2.4	-179.3	0	0	0	0	0	115.2	E12 R23 D24	E12-G14 PolarHBondContact O-N 2.58Å; E12-G14 VanDerWaalsContact O-N 3.13Å; G14-R23 CarbonylContact O-C 3.43Å; G14-R23 WeakPolarHBondContact O-CA 3.31Å; G14-D24 PolarHBondContact O-N 3.47Å
15	Y	88.8	Confident	85	Confident	98 Å²	98	93.7 Å²	93.7	38%	0.384	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	147.8	173.6	-67.8	-90.7	0	0	0	112.1	C11 E12 C20 K22 R23	C11-Y15 VanDerWaalsContact CB-O 3.27Å; C11-Y15 WeakPolarHBondContact CB-O 3.38Å; E12-Y15 PolarHBondContact O-N 3.46Å; Y15-C20 WeakPolarHBondContact CD1-O 3.33Å; Y15-K22 CarbonylContact C-O 3.48Å; Y15-K22 VanDerWaalsContact CA-O 3.32Å; Y15-K22 WeakPolarHBondContact CA-O 3.39Å; Y15-R23 PolarHBondContact OH-NH2 3.3Å
16	T	86.9	Confident	86.1	Confident	65 Å²	65	90.2 Å²	90.2	40%	0.399	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	172.9	-178	-168.8	0	0	0	0	110.1	C20 E21 K22 D24	T16-C20 CarbonylContact O-C 3.27Å; T16-C20 VanDerWaalsContact O-C 3.26Å; T16-C20 VanDerWaalsContact O-CA 3.31Å; T16-C20 WeakPolarHBondContact O-CA 3.4Å; T16-E21 PolarHBondContact O-N 3.25Å; T16-K22 HydrophobicContact CG2-CB 3.82Å; T16-K22 PolarHBondContact N-O 3.4Å; T16-K22 WeakPolarHBondContact O-CB 3.32Å; T16-K22 PolarHBondContact O-N 3.27Å; T16-D24 HydrophobicContact CG2-CB 4.38Å
17	G	84.3	Confident	86.8	Confident	29 Å²	29	91.7 Å²	91.7	30%	0.299	46%	0.461	S	S	.	.	S	Bend	trans	104.6	171.2	-172.3	0	0	0	0	0	112.6	L19 C20	G17-L19 PolarHBondContact O-N 3.38Å; G17-C20 PolarHBondContact O-N 3.26Å
18	R	85.3	Confident	87.4	Confident	185 Å²	185	89.2 Å²	89.2	70%	0.698	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-32.2	-177.6	-170.8	177.2	72.6	168.6	2.7	111.3	E21	R18-E21 PolarHBondContact N-OE2 3.11Å
19	L	87.4	Confident	87.9	Confident	93 Å²	93	84.3 Å²	84.3	49%	0.487	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	13.8	-179.8	-52.1	-178.2	0	0	0	111.7	F7 G17 E21	F7-L19 HydrophobicContact CE2-CD2 3.33Å; F7-L19 HydrophobicContact CZ-CD2 3.6Å; G17-L19 PolarHBondContact O-N 3.38Å; L19-E21 WeakPolarHBondContact CA-OE2 3.27Å; L19-E21 WeakPolarHBondContact CB-OE2 3.41Å; L19-E21 PolarHBondContact N-OE2 3.33Å; L19-E21 PolarHBondContact O-N 3.07Å
20	C	88.2	Confident	88.3	Confident	24 Å²	24	89.2 Å²	89.2	16%	0.162	47%	0.466	C	S	.	.	S	Bend	trans	59.5	27.4	-174	-46.8	0	0	0	0	113.7	C9 C11 Y15 T16 G17 K22	C9-C20 VanDerWaalsContact CB-SG 3.6Å; C11-C20 WeakPolarHBondContact CA-SG 3.23Å; C11-C20 HydrophobicContact CB-CB 3.71Å; C11-C20 WeakPolarHBondContact CB-SG 3.06Å; C11-C20 VanDerWaalsContact SG-CA 3.5Å; C11-C20 WeakPolarHBondContact SG-CB 3.34Å; C11-C20 CovalentContact SG-SG 2.03Å; C11-C20 PolarHBondContact SG-SG 2.9Å; Y15-C20 WeakPolarHBondContact CD1-O 3.33Å; T16-C20 CarbonylContact O-C 3.27Å; T16-C20 VanDerWaalsContact O-C 3.26Å; T16-C20 VanDerWaalsContact O-CA 3.31Å; T16-C20 WeakPolarHBondContact O-CA 3.4Å; G17-C20 PolarHBondContact O-N 3.26Å; C20-K22 VanDerWaalsContact C-N 3.33Å; C20-K22 PolarHBondContact O-N 2.88Å
21	E	88.1	Confident	88.5	Confident	105 Å²	105	82.9 Å²	82.9	49%	0.491	43%	0.428	S	S	.	.			trans	-80.3	-12.6	-173.3	73.6	-71.8	172.1	0	0	113.9	T16 R18 L19	T16-E21 PolarHBondContact O-N 3.25Å; R18-E21 PolarHBondContact N-OE2 3.11Å; L19-E21 WeakPolarHBondContact CA-OE2 3.27Å; L19-E21 WeakPolarHBondContact CB-OE2 3.41Å; L19-E21 PolarHBondContact N-OE2 3.33Å; L19-E21 PolarHBondContact O-N 3.07Å
22	K	87.6	Confident	88.7	Confident	126 Å²	126	82.6 Å²	82.6	55%	0.548	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	130.7	-176.8	-60.1	177.5	-173.9	172	0	109.7	Y15 T16 C20	Y15-K22 CarbonylContact C-O 3.48Å; Y15-K22 VanDerWaalsContact CA-O 3.32Å; Y15-K22 WeakPolarHBondContact CA-O 3.39Å; T16-K22 HydrophobicContact CG2-CB 3.82Å; T16-K22 PolarHBondContact N-O 3.4Å; T16-K22 WeakPolarHBondContact O-CB 3.32Å; T16-K22 PolarHBondContact O-N 3.27Å; C20-K22 VanDerWaalsContact C-N 3.33Å; C20-K22 PolarHBondContact O-N 2.88Å
23	R	88.2	Confident	88.8	Confident	132 Å²	132	85.2 Å²	85.2	50%	0.498	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	133.7	169	-176.2	176.2	-70.8	-111.9	-1.8	109.9	G14 Y15 Y25 S39	G14-R23 CarbonylContact O-C 3.43Å; G14-R23 WeakPolarHBondContact O-CA 3.31Å; Y15-R23 PolarHBondContact OH-NH2 3.3Å; R23-Y25 HydrophobicContact CB-CE2 3.85Å; R23-Y25 HydrophobicContact CG-CE1 4.33Å; R23-Y25 HydrophobicContact CG-CE2 4.24Å; R23-Y25 VanDerWaalsContact O-CD2 3.3Å; R23-Y25 WeakPolarHBondContact O-CD2 3Å; R23-Y25 WeakPolarHBondContact O-CE2 3.03Å; R23-Y25 PolarHBondContact O-N 3.4Å; R23-S39 PolarHBondContact O-OG 3.49Å; R23-S39 VanDerWaalsContact O-OG 3.14Å
24	D	89.9	Confident	88.9	Confident	50 Å²	50	83 Å²	83	27%	0.267	43%	0.429	S	S	.	.			trans	-83.1	104.7	170.6	-172.3	6.6	0	0	0	110.1	G14 T16 C26 I27 S39	G14-D24 PolarHBondContact O-N 3.47Å; T16-D24 HydrophobicContact CG2-CB 4.38Å; D24-C26 PolarHBondContact O-N 2.93Å; D24-C26 WeakPolarHBondContact OD1-CB 3.47Å; D24-C26 PolarHBondContact OD1-N 2.75Å; D24-I27 HydrophobicContact CB-CG1 4.26Å; D24-S39 WeakPolarHBondContact OD1-CB 3.38Å
25	Y	90.5	Very high	89	Confident	66 Å²	66	82.9 Å²	82.9	26%	0.259	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-3.2	176.7	-66.2	-82.7	0	0	0	112.9	R23 I27 S39 R41 R42 Y44	R23-Y25 HydrophobicContact CB-CE2 3.85Å; R23-Y25 HydrophobicContact CG-CE1 4.33Å; R23-Y25 HydrophobicContact CG-CE2 4.24Å; R23-Y25 VanDerWaalsContact O-CD2 3.3Å; R23-Y25 WeakPolarHBondContact O-CD2 3Å; R23-Y25 WeakPolarHBondContact O-CE2 3.03Å; R23-Y25 PolarHBondContact O-N 3.4Å; Y25-I27 VanDerWaalsContact C-N 3.33Å; Y25-S39 WeakPolarHBondContact CD2-OG 3.2Å; Y25-S39 PolarHBondContact N-OG 3.16Å; Y25-S39 VanDerWaalsContact N-OG 3.09Å; Y25-R41 WeakPolarHBondContact CE2-O 3.42Å; Y25-R41 PolarHBondContact OH-O 3.39Å; Y25-R42 VanDerWaalsContact CZ-CA 3.46Å; Y25-Y44 WeakPolarHBondContact O-CD1 3.04Å
26	C	90.4	Very high	89.2	Confident	20 Å²	20	82.4 Å²	82.4	14%	0.135	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-12.1	175.2	-71.8	0	0	0	0	113.6	D24 G28 H29 C37 V38	D24-C26 PolarHBondContact O-N 2.93Å; D24-C26 WeakPolarHBondContact OD1-CB 3.47Å; D24-C26 PolarHBondContact OD1-N 2.75Å; C26-G28 PolarHBondContact O-N 3.26Å; C26-H29 WeakPolarHBondContact O-CB 3.42Å; C26-H29 PolarHBondContact O-CD2 3.27Å; C26-H29 PolarHBondContact O-N 3.46Å; C26-H29 VanDerWaalsContact O-N 3.09Å; C26-C37 WeakPolarHBondContact CA-SG 3.43Å; C26-C37 HydrophobicContact CB-CB 3.76Å; C26-C37 WeakPolarHBondContact CB-SG 3.46Å; C26-C37 WeakPolarHBondContact SG-CB 2.96Å; C26-C37 CovalentContact SG-SG 2.04Å; C26-C37 PolarHBondContact SG-SG 3.46Å; C26-V38 PolarHBondContact SG-N 2.91Å
27	I	88.7	Confident	89.4	Confident	103 Å²	103	80.6 Å²	80.6	53%	0.528	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	119.6	173.1	-56.7	-157.3	0	0	0	109.3	D24 Y25	D24-I27 HydrophobicContact CB-CG1 4.26Å; Y25-I27 VanDerWaalsContact C-N 3.33Å
28	G	88.3	Confident	89.7	Confident	72 Å²	72	81.7 Å²	81.7	74%	0.742	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	22.7	-175.9	0	0	0	0	0	114.1	C26	C26-G28 PolarHBondContact O-N 3.26Å
29	H	90.7	Very high	89.9	Confident	77 Å²	77	74.7 Å²	74.7	36%	0.356	40%	0.404	S	S	.	.			trans	-58.9	153.1	177.4	70	61.6	0	0	0	112.4	C26 C31 C37 Y44	C26-H29 WeakPolarHBondContact O-CB 3.42Å; C26-H29 PolarHBondContact O-CD2 3.27Å; C26-H29 PolarHBondContact O-N 3.46Å; C26-H29 VanDerWaalsContact O-N 3.09Å; H29-C31 PolarHBondContact ND1-N 3.24Å; H29-C37 HydrophobicContact CB-CB 4.37Å; H29-C37 VanDerWaalsContact CD2-CB 3.42Å; H29-C37 WeakPolarHBondContact CD2-CB 3.15Å; H29-Y44 HydrophobicContact CB-CD2 4.06Å; H29-Y44 HydrophobicContact CB-CE2 3.81Å
30	K	92.7	Very high	89.8	Confident	151 Å²	151	74.8 Å²	74.8	66%	0.657	40%	0.402	S	S	*	.			trans	-96.5	5.8	178.1	-62.4	-172.6	179.1	-172.9	0	114.4	Y44 F56	K30-Y44 PolarHBondContact N-OH 2.8Å; K30-F56 HydrophobicContact CB-CD1 3.71Å; K30-F56 HydrophobicContact CB-CE1 3.99Å; K30-F56 HydrophobicContact CB-CG 4.01Å; K30-F56 HydrophobicContact CD-CZ 4.47Å
31	C	92.3	Very high	89.5	Confident	12 Å²	12	82.7 Å²	82.7	8%	0.081	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-58.1	143.2	178.4	-46	0	0	0	0	111.7	H29 A35 C46 F56	H29-C31 PolarHBondContact ND1-N 3.24Å; C31-A35 HydrophobicContact CB-CB 3.95Å; C31-C46 WeakPolarHBondContact CA-SG 3.37Å; C31-C46 HydrophobicContact CB-CB 3.71Å; C31-C46 WeakPolarHBondContact CB-SG 3.31Å; C31-C46 WeakPolarHBondContact SG-CB 3.45Å; C31-C46 CovalentContact SG-SG 2.02Å; C31-C46 PolarHBondContact SG-SG 3.44Å; C31-F56 WeakPolarHBondContact CA-O 3.47Å
32	V	92.1	Very high	89.3	Confident	37 Å²	37	88 Å²	88	22%	0.224	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-61.4	157.9	173.7	-60.9	0	0	0	0	112.3	G34 A35 Y52 F56 C57 A58	V32-G34 PolarHBondContact O-N 3.38Å; V32-A35 HydrophobicContact CG2-CB 4.04Å; V32-A35 WeakPolarHBondContact O-CB 3.42Å; V32-A35 PolarHBondContact O-N 2.72Å; V32-Y52 HydrophobicContact CG2-CD1 4.37Å; V32-F56 PolarHBondContact N-O 3.14Å; V32-C57 WeakPolarHBondContact CG1-O 3.38Å; V32-C57 HydrophobicContact CG2-CB 3.59Å; V32-C57 VanDerWaalsContact CG2-O 3.29Å; V32-C57 WeakPolarHBondContact CG2-O 2.97Å; V32-A58 HydrophobicContact CG1-CB 4.31Å
33	K	89.7	Confident	89.3	Confident	212 Å²	212	87.2 Å²	87.2	92%	0.922	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	127.8	172.9	-68.5	-175.1	177.7	-178.9	0	110
34	G	89.2	Confident	89.4	Confident	69 Å²	69	83.4 Å²	83.4	71%	0.711	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.6	-9.4	-178.2	0	0	0	0	0	115	V32	V32-G34 PolarHBondContact O-N 3.38Å
35	A	90.9	Very high	89.4	Confident	14 Å²	14	84.9 Å²	84.9	12%	0.116	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-78.9	145.8	167.6	0	0	0	0	0	111.2	C31 V32 V47 C57	C31-A35 HydrophobicContact CB-CB 3.95Å; V32-A35 HydrophobicContact CG2-CB 4.04Å; V32-A35 WeakPolarHBondContact O-CB 3.42Å; V32-A35 PolarHBondContact O-N 2.72Å; A35-V47 WeakPolarHBondContact CA-O 3.47Å; A35-V47 WeakPolarHBondContact CB-O 3.3Å; A35-C57 HydrophobicContact CB-CB 4.13Å
36	T	91.7	Very high	89.4	Confident	89 Å²	89	82.6 Å²	82.6	55%	0.546	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	119.9	175.4	-51.6	0	0	0	0	109.4	V47	T36-V47 PolarHBondContact N-O 3.08Å; T36-V47 PolarHBondContact O-N 2.99Å
37	C	90.8	Very high	89.5	Confident	26 Å²	26	85 Å²	85	18%	0.176	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	136.3	172.2	-176.8	0	0	0	0	110.8	C26 H29	C26-C37 WeakPolarHBondContact CA-SG 3.43Å; C26-C37 HydrophobicContact CB-CB 3.76Å; C26-C37 WeakPolarHBondContact CB-SG 3.46Å; C26-C37 WeakPolarHBondContact SG-CB 2.96Å; C26-C37 CovalentContact SG-SG 2.04Å; C26-C37 PolarHBondContact SG-SG 3.46Å; H29-C37 HydrophobicContact CB-CB 4.37Å; H29-C37 VanDerWaalsContact CD2-CB 3.42Å; H29-C37 WeakPolarHBondContact CD2-CB 3.15Å
38	V	90.8	Very high	89.4	Confident	52 Å²	52	82.1 Å²	82.1	32%	0.315	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	121.3	174.8	-175.3	0	0	0	0	109.6	C26 Y44 F45 V47	C26-V38 PolarHBondContact SG-N 2.91Å; V38-Y44 VanDerWaalsContact O-CA 3.26Å; V38-Y44 WeakPolarHBondContact O-CA 3.26Å; V38-F45 HydrophobicContact CB-CD1 4.25Å; V38-F45 HydrophobicContact CB-CD2 3.96Å; V38-F45 HydrophobicContact CB-CE1 3.8Å; V38-F45 HydrophobicContact CB-CE2 3.48Å; V38-F45 VanDerWaalsContact CB-CE2 3.48Å; V38-F45 HydrophobicContact CB-CG 4.34Å; V38-F45 HydrophobicContact CB-CZ 3.4Å; V38-F45 VanDerWaalsContact CB-CZ 3.4Å; V38-F45 HydrophobicContact CG1-CE1 3.68Å; V38-F45 HydrophobicContact CG1-CE2 3.92Å; V38-F45 HydrophobicContact CG1-CZ 3.32Å; V38-F45 HydrophobicContact CG2-CD2 4.3Å; V38-F45 HydrophobicContact CG2-CE2 3.69Å; V38-F45 HydrophobicContact CG2-CZ 4.01Å; V38-F45 PolarHBondContact N-O 2.74Å; V38-F45 PolarHBondContact O-N 3.27Å; V38-V47 HydrophobicContact CG2-CG2 3.93Å
39	S	89.3	Confident	89.4	Confident	39 Å²	39	80.7 Å²	80.7	27%	0.273	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	131.1	175.7	179.4	0	0	0	0	110.9	R23 D24 Y25	R23-S39 PolarHBondContact O-OG 3.49Å; R23-S39 VanDerWaalsContact O-OG 3.14Å; D24-S39 WeakPolarHBondContact OD1-CB 3.38Å; Y25-S39 WeakPolarHBondContact CD2-OG 3.2Å; Y25-S39 PolarHBondContact N-OG 3.16Å; Y25-S39 VanDerWaalsContact N-OG 3.09Å
40	Q	86.1	Confident	89.1	Confident	94 Å²	94	86.5 Å²	86.5	44%	0.439	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	110.1	-178.8	-170.8	174.1	27.7	0	0	112.4	R42 M43 F45	Q40-R42 VanDerWaalsContact C-N 3.26Å; Q40-R42 PolarHBondContact O-N 2.03Å; Q40-M43 CarbonylContact C-O 3.26Å; Q40-M43 HydrophobicContact CB-CG 4.47Å; Q40-M43 PolarHBondContact N-O 3.05Å; Q40-M43 WeakPolarHBondContact O-CG 3.27Å; Q40-M43 PolarHBondContact O-N 2.97Å; Q40-F45 HydrophobicContact CB-CD1 4.3Å; Q40-F45 HydrophobicContact CB-CE1 3.97Å
41	R	82.3	Confident	88.7	Confident	191 Å²	191	80.3 Å²	80.3	72%	0.721	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.1	-68.3	177.4	-78	-166.7	-178.5	-165.6	3.2	116.9	Y25 I111	Y25-R41 WeakPolarHBondContact CE2-O 3.42Å; Y25-R41 PolarHBondContact OH-O 3.39Å; R41-I111 VanDerWaalsContact NE-CD1 3.29Å; R41-I111 VanDerWaalsContact NH1-CG1 3.3Å
42	R	83.9	Confident	88.4	Confident	217 Å²	217	83.6 Å²	83.6	82%	0.819	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.5	8.8	-178.9	-66.6	-170.9	179.4	-174.5	0.6	113.6	Y25 Q40	Y25-R42 VanDerWaalsContact CZ-CA 3.46Å; Q40-R42 VanDerWaalsContact C-N 3.26Å; Q40-R42 PolarHBondContact O-N 2.03Å
43	M	87.8	Confident	88.1	Confident	108 Å²	108	84.6 Å²	84.6	53%	0.532	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	169.9	-176.8	64.7	-178.8	74.2	0	0	110.7	Q40	Q40-M43 CarbonylContact C-O 3.26Å; Q40-M43 HydrophobicContact CB-CG 4.47Å; Q40-M43 PolarHBondContact N-O 3.05Å; Q40-M43 WeakPolarHBondContact O-CG 3.27Å; Q40-M43 PolarHBondContact O-N 2.97Å
44	Y	88.9	Confident	87.9	Confident	52 Å²	52	76 Å²	76	20%	0.204	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	155.6	166.6	70.5	-89	0	0	0	109.7	Y25 H29 K30 V38 F56	Y25-Y44 WeakPolarHBondContact O-CD1 3.04Å; H29-Y44 HydrophobicContact CB-CD2 4.06Å; H29-Y44 HydrophobicContact CB-CE2 3.81Å; K30-Y44 PolarHBondContact N-OH 2.8Å; V38-Y44 VanDerWaalsContact O-CA 3.26Å; V38-Y44 WeakPolarHBondContact O-CA 3.26Å; Y44-F56 HydrophobicContact CE2-CD1 4.35Å; Y44-F56 HydrophobicContact CE2-CE1 4.15Å; Y44-F56 WeakPolarHBondContact OH-CE1 3.39Å
45	F	90	Very high	87.7	Confident	82 Å²	82	81.9 Å²	81.9	36%	0.36	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	151	170.3	58.8	-90.9	0	0	0	110.7	V38 Q40 V47	V38-F45 HydrophobicContact CB-CD1 4.25Å; V38-F45 HydrophobicContact CB-CD2 3.96Å; V38-F45 HydrophobicContact CB-CE1 3.8Å; V38-F45 HydrophobicContact CB-CE2 3.48Å; V38-F45 VanDerWaalsContact CB-CE2 3.48Å; V38-F45 HydrophobicContact CB-CG 4.34Å; V38-F45 HydrophobicContact CB-CZ 3.4Å; V38-F45 VanDerWaalsContact CB-CZ 3.4Å; V38-F45 HydrophobicContact CG1-CE1 3.68Å; V38-F45 HydrophobicContact CG1-CE2 3.92Å; V38-F45 HydrophobicContact CG1-CZ 3.32Å; V38-F45 HydrophobicContact CG2-CD2 4.3Å; V38-F45 HydrophobicContact CG2-CE2 3.69Å; V38-F45 HydrophobicContact CG2-CZ 4.01Å; V38-F45 PolarHBondContact N-O 2.74Å; V38-F45 PolarHBondContact O-N 3.27Å; Q40-F45 HydrophobicContact CB-CD1 4.3Å; Q40-F45 HydrophobicContact CB-CE1 3.97Å; F45-V47 HydrophobicContact CD2-CG2 4.3Å; F45-V47 HydrophobicContact CE2-CG2 4.13Å
46	C	91.2	Very high	87.7	Confident	17 Å²	17	84 Å²	84	12%	0.115	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	124.6	179.2	-52.4	0	0	0	0	109.4	C31 R55 C57	C31-C46 WeakPolarHBondContact CA-SG 3.37Å; C31-C46 HydrophobicContact CB-CB 3.71Å; C31-C46 WeakPolarHBondContact CB-SG 3.31Å; C31-C46 WeakPolarHBondContact SG-CB 3.45Å; C31-C46 CovalentContact SG-SG 2.02Å; C31-C46 PolarHBondContact SG-SG 3.44Å; C46-R55 PolarHBondContact SG-O 2.99Å; C46-R55 VanDerWaalsContact SG-O 3.42Å; C46-C57 WeakPolarHBondContact CB-SG 3.42Å
47	V	91.4	Very high	87.6	Confident	72 Å²	72	79.8 Å²	79.8	44%	0.436	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	110.4	167.9	-178.1	0	0	0	0	107.4	A35 T36 V38 F45	A35-V47 WeakPolarHBondContact CA-O 3.47Å; A35-V47 WeakPolarHBondContact CB-O 3.3Å; T36-V47 PolarHBondContact N-O 3.08Å; T36-V47 PolarHBondContact O-N 2.99Å; V38-V47 HydrophobicContact CG2-CG2 3.93Å; F45-V47 HydrophobicContact CD2-CG2 4.3Å; F45-V47 HydrophobicContact CE2-CG2 4.13Å
48	C	87.8	Confident	87.6	Confident	42 Å²	42	81.8 Å²	81.8	28%	0.284	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-78.2	139	-173.2	-54.4	0	0	0	0	112.2	Y52 C57	C48-Y52 WeakPolarHBondContact CB-O 3.48Å; C48-C57 WeakPolarHBondContact CA-SG 3.22Å; C48-C57 HydrophobicContact CB-CB 3.65Å; C48-C57 WeakPolarHBondContact CB-SG 3.36Å; C48-C57 PolarHBondContact N-SG 2.79Å; C48-C57 WeakPolarHBondContact SG-CA 3.36Å; C48-C57 WeakPolarHBondContact SG-CB 3.39Å; C48-C57 CovalentContact SG-SG 2.03Å; C48-C57 PolarHBondContact SG-SG 3.39Å
49	P	87.3	Confident	87.4	Confident	42 Å²	42	83.9 Å²	83.9	27%	0.273	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-66.6	160.6	170.5	28.4	-31.8	0	0	0	110.3	G51 Y52	P49-G51 PolarHBondContact O-N 3.24Å; P49-Y52 HydrophobicContact CG-CD2 3.73Å; P49-Y52 HydrophobicContact CG-CE2 4.4Å; P49-Y52 HydrophobicContact CG-CG 4.18Å; P49-Y52 PolarHBondContact O-N 2.86Å
50	H	84.5	Confident	87.1	Confident	199 Å²	199	88.6 Å²	88.6	92%	0.921	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	130.3	177.8	-176	-85.6	0	0	0	110.6
51	G	84.6	Confident	86.7	Confident	21 Å²	21	87.3 Å²	87.3	22%	0.216	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.5	4.4	-176.9	0	0	0	0	0	115	P49 Q60 I61	P49-G51 PolarHBondContact O-N 3.24Å; G51-Q60 CarbonylContact O-C 3.52Å; G51-Q60 WeakPolarHBondContact O-CA 3.02Å; G51-I61 PolarHBondContact O-N 2.77Å
52	Y	87	Confident	86.1	Confident	81 Å²	81	81.5 Å²	81.5	32%	0.318	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	151.2	174.1	-70	-98.2	0	0	0	111.9	V32 C48 P49 C57 D59 Q60	V32-Y52 HydrophobicContact CG2-CD1 4.37Å; C48-Y52 WeakPolarHBondContact CB-O 3.48Å; P49-Y52 HydrophobicContact CG-CD2 3.73Å; P49-Y52 HydrophobicContact CG-CE2 4.4Å; P49-Y52 HydrophobicContact CG-CG 4.18Å; P49-Y52 PolarHBondContact O-N 2.86Å; Y52-C57 WeakPolarHBondContact CD1-O 3.03Å; Y52-D59 CarbonylContact C-O 3.55Å; Y52-D59 VanDerWaalsContact CA-O 3.28Å; Y52-D59 WeakPolarHBondContact CA-O 3.48Å; Y52-Q60 HydrophobicContact CD1-CG 3.86Å; Y52-Q60 HydrophobicContact CE1-CG 3.47Å; Y52-Q60 VanDerWaalsContact CE1-CG 3.47Å
53	T	84.7	Confident	84.9	Confident	58 Å²	58	76.6 Å²	76.6	36%	0.356	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	175.9	-176.8	-166.9	0	0	0	0	111.9	C57 A58 D59 I61	T53-C57 CarbonylContact O-C 3.45Å; T53-C57 VanDerWaalsContact O-C 3.27Å; T53-C57 WeakPolarHBondContact O-CA 3.17Å; T53-A58 PolarHBondContact O-N 2.66Å; T53-D59 HydrophobicContact CG2-CB 3.67Å; T53-D59 PolarHBondContact N-O 3.09Å; T53-D59 WeakPolarHBondContact O-CB 3.42Å; T53-D59 PolarHBondContact O-N 3.21Å; T53-D59 VanDerWaalsContact O-N 3.12Å; T53-I61 HydrophobicContact CG2-CG1 3.93Å
54	G	84.9	Confident	83.6	Confident	30 Å²	30	80 Å²	80	31%	0.309	42%	0.424	S	S	.	.	S	Bend	trans	89.8	169.8	-175.8	0	0	0	0	0	113.2	F56 C57	G54-F56 PolarHBondContact O-N 2.79Å; G54-C57 PolarHBondContact O-N 3.09Å; G54-C57 VanDerWaalsContact O-N 3.1Å
55	R	87	Confident	82	Confident	193 Å²	193	78.9 Å²	78.9	73%	0.728	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-35.3	-175.1	-178.4	178.3	179.9	179.1	1.8	113.6	C46	C46-R55 PolarHBondContact SG-O 2.99Å; C46-R55 VanDerWaalsContact SG-O 3.42Å
56	F	90.2	Very high	80.4	Confident	60 Å²	60	81.1 Å²	81.1	26%	0.263	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	9.7	-178.4	-55.4	-56.9	0	0	0	112.5	K30 C31 V32 Y44 G54 A58	K30-F56 HydrophobicContact CB-CD1 3.71Å; K30-F56 HydrophobicContact CB-CE1 3.99Å; K30-F56 HydrophobicContact CB-CG 4.01Å; K30-F56 HydrophobicContact CD-CZ 4.47Å; C31-F56 WeakPolarHBondContact CA-O 3.47Å; V32-F56 PolarHBondContact N-O 3.14Å; Y44-F56 HydrophobicContact CE2-CD1 4.35Å; Y44-F56 HydrophobicContact CE2-CE1 4.15Å; Y44-F56 WeakPolarHBondContact OH-CE1 3.39Å; G54-F56 PolarHBondContact O-N 2.79Å; F56-A58 PolarHBondContact O-N 3.04Å
57	C	90	Very high	78.9	Confident	0 Å²	0	85.1 Å²	85.1	0%	0	46%	0.457	C	S	.	.	S	Bend	trans	59.7	24.7	-175.7	-47.8	0	0	0	0	113.5	V32 A35 C46 C48 Y52 T53 G54 D59	V32-C57 WeakPolarHBondContact CG1-O 3.38Å; V32-C57 HydrophobicContact CG2-CB 3.59Å; V32-C57 VanDerWaalsContact CG2-O 3.29Å; V32-C57 WeakPolarHBondContact CG2-O 2.97Å; A35-C57 HydrophobicContact CB-CB 4.13Å; C46-C57 WeakPolarHBondContact CB-SG 3.42Å; C48-C57 WeakPolarHBondContact CA-SG 3.22Å; C48-C57 HydrophobicContact CB-CB 3.65Å; C48-C57 WeakPolarHBondContact CB-SG 3.36Å; C48-C57 PolarHBondContact N-SG 2.79Å; C48-C57 WeakPolarHBondContact SG-CA 3.36Å; C48-C57 WeakPolarHBondContact SG-CB 3.39Å; C48-C57 CovalentContact SG-SG 2.03Å; C48-C57 PolarHBondContact SG-SG 3.39Å; Y52-C57 WeakPolarHBondContact CD1-O 3.03Å; T53-C57 CarbonylContact O-C 3.45Å; T53-C57 VanDerWaalsContact O-C 3.27Å; T53-C57 WeakPolarHBondContact O-CA 3.17Å; G54-C57 PolarHBondContact O-N 3.09Å; G54-C57 VanDerWaalsContact O-N 3.1Å; C57-D59 VanDerWaalsContact C-N 3.33Å
58	A	90.2	Very high	77.5	Confident	67 Å²	67	85.7 Å²	85.7	55%	0.554	46%	0.463	S	S	*	.			trans	-77.2	-21.5	-176.6	0	0	0	0	0	112.9	V32 T53 F56	V32-A58 HydrophobicContact CG1-CB 4.31Å; T53-A58 PolarHBondContact O-N 2.66Å; F56-A58 PolarHBondContact O-N 3.04Å
59	D	86.3	Confident	76.6	Confident	96 Å²	96	90.7 Å²	90.7	51%	0.513	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	124.4	-175.9	-56.9	-48	0	0	0	109.6	Y52 T53 C57	Y52-D59 CarbonylContact C-O 3.55Å; Y52-D59 VanDerWaalsContact CA-O 3.28Å; Y52-D59 WeakPolarHBondContact CA-O 3.48Å; T53-D59 HydrophobicContact CG2-CB 3.67Å; T53-D59 PolarHBondContact N-O 3.09Å; T53-D59 WeakPolarHBondContact O-CB 3.42Å; T53-D59 PolarHBondContact O-N 3.21Å; T53-D59 VanDerWaalsContact O-N 3.12Å; C57-D59 VanDerWaalsContact C-N 3.33Å
60	Q	84	Confident	75.3	Confident	138 Å²	138	91.5 Å²	91.5	65%	0.645	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	130.3	171.6	-69.9	-179.6	16.7	0	0	109.7	G51 Y52 S62	G51-Q60 CarbonylContact O-C 3.52Å; G51-Q60 WeakPolarHBondContact O-CA 3.02Å; Y52-Q60 HydrophobicContact CD1-CG 3.86Å; Y52-Q60 HydrophobicContact CE1-CG 3.47Å; Y52-Q60 VanDerWaalsContact CE1-CG 3.47Å; Q60-S62 PolarHBondContact O-N 3.42Å
61	I	77.1	Confident	74.2	Confident	67 Å²	67	85.9 Å²	85.9	34%	0.344	46%	0.458	S	S	.	.			trans	-68.6	89.9	168.8	-55.6	172.1	0	0	0	106.3	G51 T53 S63 L65	G51-I61 PolarHBondContact O-N 2.77Å; T53-I61 HydrophobicContact CG2-CG1 3.93Å; I61-S63 PolarHBondContact O-N 2.88Å; I61-L65 HydrophobicContact CG2-CB 4.49Å
62	S	68.8	Low	73.3	Confident	69 Å²	69	87.6 Å²	87.6	48%	0.483	46%	0.46	S	S	.	.			trans	-59.1	134.7	171.1	69.4	0	0	0	0	108.7	Q60 K64 L65	Q60-S62 PolarHBondContact O-N 3.42Å; S62-K64 PolarHBondContact O-N 3.42Å; S62-L65 PolarHBondContact O-N 3.38Å
63	S	60.2	Low	72.2	Confident	114 Å²	114	86.6 Å²	86.6	80%	0.797	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	1	176.1	41.2	0	0	0	0	114.4	I61 L65	I61-S63 PolarHBondContact O-N 2.88Å; S63-L65 PolarHBondContact O-N 3.46Å
64	K	59.7	Low	71.1	Confident	179 Å²	179	89 Å²	89	78%	0.778	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-8.5	165.2	-66.6	-171.5	179.6	-177.8	0	113.1	S62 N66	S62-K64 PolarHBondContact O-N 3.42Å; K64-N66 PolarHBondContact O-N 2.91Å; K64-N66 PolarHBondContact O-OD1 2.84Å
65	L	55.8	Low	70	Confident	29 Å²	29	93.2 Å²	93.2	15%	0.152	48%	0.476	C	S	.	.			trans	-85.7	60.9	162.3	-112.5	77.3	0	0	0	110.7	I61 S62 S63 N67 D70 I71 K74	I61-L65 HydrophobicContact CG2-CB 4.49Å; S62-L65 PolarHBondContact O-N 3.38Å; S63-L65 PolarHBondContact O-N 3.46Å; L65-N67 PolarHBondContact O-N 3.41Å; L65-D70 WeakPolarHBondContact CD1-OD2 3.37Å; L65-D70 HydrophobicContact CD2-CB 3.94Å; L65-D70 HydrophobicContact CG-CB 3.79Å; L65-D70 VanDerWaalsContact CG-CG 3.44Å; L65-D70 WeakPolarHBondContact CG-OD2 3.48Å; L65-I71 HydrophobicContact CB-CG1 4.29Å; L65-I71 HydrophobicContact CD2-CB 4.49Å; L65-I71 HydrophobicContact CD2-CG1 3.78Å; L65-I71 HydrophobicContact CG-CG1 4.49Å; L65-K74 HydrophobicContact CD2-CD 3.78Å
66	N	56.7	Low	68.8	Low	130 Å²	130	86.6 Å²	86.6	70%	0.695	45%	0.452	S	S	*	.			trans	-76.7	3.6	-178.3	57.6	-14.9	0	0	0	113.9	K64	K64-N66 PolarHBondContact O-N 2.91Å; K64-N66 PolarHBondContact O-OD1 2.84Å
67	N	59.5	Low	67	Low	101 Å²	101	89.7 Å²	89.7	54%	0.54	47%	0.466	S	S	.	.			trans	-115.8	120.6	174.4	-66.3	-35.5	0	0	0	110.1	L65 F69 D70 I71	L65-N67 PolarHBondContact O-N 3.41Å; N67-F69 PolarHBondContact O-N 2.86Å; N67-D70 WeakPolarHBondContact O-CB 3.46Å; N67-D70 PolarHBondContact O-N 3.16Å; N67-I71 PolarHBondContact O-N 2.99Å
68	C	62.2	Low	65.3	Low	83 Å²	83	93 Å²	93	56%	0.561	49%	0.486	S	S	*	.	H	α-helix	trans	-51.2	-27	171.2	-177.7	0	0	0	0	112.2	I71 F72	C68-I71 PolarHBondContact O-N 3.11Å; C68-F72 WeakPolarHBondContact O-CB 3Å; C68-F72 PolarHBondContact O-N 3.39Å
69	F	67.1	Low	63.7	Low	148 Å²	148	90.4 Å²	90.4	65%	0.649	46%	0.463	S	S	*	.	H	α-helix	trans	-63	-40.3	173.9	-170.8	-107.3	0	0	0	113.4	N67 F72 L73	N67-F69 PolarHBondContact O-N 2.86Å; F69-F72 PolarHBondContact O-N 2.95Å; F69-L73 HydrophobicContact CD1-CD1 3.81Å; F69-L73 HydrophobicContact CD1-CG 4.35Å; F69-L73 HydrophobicContact CE1-CD1 3.36Å; F69-L73 HydrophobicContact CE1-CG 4.06Å; F69-L73 HydrophobicContact CZ-CD1 3.88Å; F69-L73 HydrophobicContact CZ-CD2 4.38Å; F69-L73 HydrophobicContact CZ-CG 4.19Å; F69-L73 WeakPolarHBondContact O-CG 3.49Å; F69-L73 PolarHBondContact O-N 3.13Å
70	D	61.4	Low	62	Low	58 Å²	58	92.5 Å²	92.5	31%	0.31	47%	0.468	S	S	.	.	H	α-helix	trans	-72.9	-37.9	179.2	-166.9	-14.8	0	0	0	110.4	L65 N67 F72 L73 K74	L65-D70 WeakPolarHBondContact CD1-OD2 3.37Å; L65-D70 HydrophobicContact CD2-CB 3.94Å; L65-D70 HydrophobicContact CG-CB 3.79Å; L65-D70 VanDerWaalsContact CG-CG 3.44Å; L65-D70 WeakPolarHBondContact CG-OD2 3.48Å; N67-D70 WeakPolarHBondContact O-CB 3.46Å; N67-D70 PolarHBondContact O-N 3.16Å; D70-F72 PolarHBondContact O-N 2.92Å; D70-L73 PolarHBondContact O-N 3.46Å; D70-K74 WeakPolarHBondContact O-CB 3Å; D70-K74 WeakPolarHBondContact O-CG 3.38Å; D70-K74 PolarHBondContact O-N 3.37Å; D70-K74 VanDerWaalsContact OD1-CE 3.23Å; D70-K74 WeakPolarHBondContact OD1-CE 3.36Å; D70-K74 IonicContact OD1-NZ 3.94Å
71	I	61.2	Low	60.5	Low	81 Å²	81	93 Å²	93	42%	0.415	48%	0.475	S	S	.	.	H	α-helix	trans	-59.9	-46.2	170.6	-59.9	172.9	0	0	0	110.5	L65 N67 C68 K74 F75	L65-I71 HydrophobicContact CB-CG1 4.29Å; L65-I71 HydrophobicContact CD2-CB 4.49Å; L65-I71 HydrophobicContact CD2-CG1 3.78Å; L65-I71 HydrophobicContact CG-CG1 4.49Å; N67-I71 PolarHBondContact O-N 2.99Å; C68-I71 PolarHBondContact O-N 3.11Å; I71-K74 PolarHBondContact O-N 2.88Å; I71-F75 WeakPolarHBondContact O-CB 3.39Å; I71-F75 PolarHBondContact O-N 2.89Å
72	F	64.9	Low	59.6	Low	58 Å²	58	93.9 Å²	93.9	25%	0.254	48%	0.48	S	S	.	.	H	α-helix	trans	-64.4	-44	179.5	-175.3	-93.5	0	0	0	112.2	C68 F69 D70 F75 F76 F88 F102	C68-F72 WeakPolarHBondContact O-CB 3Å; C68-F72 PolarHBondContact O-N 3.39Å; F69-F72 PolarHBondContact O-N 2.95Å; D70-F72 PolarHBondContact O-N 2.92Å; F72-F75 PolarHBondContact O-N 3.42Å; F72-F76 HydrophobicContact CE1-CD2 4.38Å; F72-F76 VanDerWaalsContact O-CB 3.31Å; F72-F76 WeakPolarHBondContact O-CB 3.17Å; F72-F76 PolarHBondContact O-N 2.88Å; F72-F88 HydrophobicContact CE2-CD1 4.5Å; F72-F88 HydrophobicContact CE2-CE1 4.3Å; F72-F88 HydrophobicContact CZ-CD1 4.05Å; F72-F88 HydrophobicContact CZ-CE1 4.08Å; F72-F102 HydrophobicContact CD2-CD2 4.31Å; F72-F102 HydrophobicContact CE1-CD2 4.48Å; F72-F102 HydrophobicContact CE1-CE2 4.27Å; F72-F102 HydrophobicContact CE1-CZ 4.38Å; F72-F102 HydrophobicContact CE2-CB 3.96Å; F72-F102 HydrophobicContact CE2-CD1 4.44Å; F72-F102 AromaticContact CE2-CD2 3.62Å; F72-F102 HydrophobicContact CE2-CD2 3.62Å; F72-F102 HydrophobicContact CE2-CE2 4.19Å; F72-F102 AromaticContact CE2-CG 3.76Å; F72-F102 HydrophobicContact CE2-CG 3.76Å; F72-F102 HydrophobicContact CZ-CB 4.32Å; F72-F102 AromaticContact CZ-CD1 3.98Å; F72-F102 HydrophobicContact CZ-CD1 3.98Å; F72-F102 AromaticContact CZ-CD2 3.72Å; F72-F102 HydrophobicContact CZ-CD2 3.72Å; F72-F102 HydrophobicContact CZ-CE1 4.17Å; F72-F102 AromaticContact CZ-CE2 3.93Å; F72-F102 HydrophobicContact CZ-CE2 3.93Å; F72-F102 AromaticContact CZ-CG 3.75Å; F72-F102 HydrophobicContact CZ-CG 3.75Å; F72-F102 HydrophobicContact CZ-CZ 4.15Å
73	L	63.4	Low	58.9	Low	60 Å²	60	94.3 Å²	94.3	31%	0.314	48%	0.481	S	S	.	.	H	α-helix	trans	-62.4	-47.4	176.9	-75.4	179	0	0	0	111.1	F69 D70 F75 F76 F77	F69-L73 HydrophobicContact CD1-CD1 3.81Å; F69-L73 HydrophobicContact CD1-CG 4.35Å; F69-L73 HydrophobicContact CE1-CD1 3.36Å; F69-L73 HydrophobicContact CE1-CG 4.06Å; F69-L73 HydrophobicContact CZ-CD1 3.88Å; F69-L73 HydrophobicContact CZ-CD2 4.38Å; F69-L73 HydrophobicContact CZ-CG 4.19Å; F69-L73 WeakPolarHBondContact O-CG 3.49Å; F69-L73 PolarHBondContact O-N 3.13Å; D70-L73 PolarHBondContact O-N 3.46Å; L73-F75 VanDerWaalsContact C-N 3.31Å; L73-F75 PolarHBondContact O-N 3.47Å; L73-F76 PolarHBondContact O-N 2.95Å; L73-F76 VanDerWaalsContact O-N 3.16Å; L73-F77 HydrophobicContact CB-CD2 4.34Å; L73-F77 HydrophobicContact CB-CE2 4.32Å; L73-F77 HydrophobicContact CD2-CE2 4.24Å; L73-F77 WeakPolarHBondContact O-CD2 3.34Å; L73-F77 PolarHBondContact O-N 3.1Å
74	K	62.1	Low	58.7	Low	108 Å²	108	91.5 Å²	91.5	47%	0.47	46%	0.456	S	S	.	.	H	α-helix	trans	-61.7	-40.3	177.8	-72.6	-173.1	-174.8	176.6	0	112.1	L65 D70 I71 F77 T78	L65-K74 HydrophobicContact CD2-CD 3.78Å; D70-K74 WeakPolarHBondContact O-CB 3Å; D70-K74 WeakPolarHBondContact O-CG 3.38Å; D70-K74 PolarHBondContact O-N 3.37Å; D70-K74 VanDerWaalsContact OD1-CE 3.23Å; D70-K74 WeakPolarHBondContact OD1-CE 3.36Å; D70-K74 IonicContact OD1-NZ 3.94Å; I71-K74 PolarHBondContact O-N 2.88Å; K74-F77 PolarHBondContact O-N 3.18Å; K74-T78 WeakPolarHBondContact O-CB 3.45Å; K74-T78 WeakPolarHBondContact O-CG2 3.04Å; K74-T78 PolarHBondContact O-N 2.02Å; K74-T78 PolarHBondContact O-OG1 2.77Å
75	F	62.7	Low	58	Low	119 Å²	119	88.9 Å²	88.9	52%	0.522	45%	0.45	S	S	.	.	H	α-helix	trans	-63.7	-43.2	174.3	-155.1	-93.7	0	0	0	111.4	I71 F72 L73 F77 T78 V79	I71-F75 WeakPolarHBondContact O-CB 3.39Å; I71-F75 PolarHBondContact O-N 2.89Å; F72-F75 PolarHBondContact O-N 3.42Å; L73-F75 VanDerWaalsContact C-N 3.31Å; L73-F75 PolarHBondContact O-N 3.47Å; F75-F77 PolarHBondContact O-N 3.42Å; F75-T78 WeakPolarHBondContact CA-OG1 3.4Å; F75-T78 PolarHBondContact O-OG1 2.04Å; F75-T78 VanDerWaalsContact O-OG1 3.11Å; F75-V79 HydrophobicContact CD1-CG2 3.8Å; F75-V79 HydrophobicContact CE1-CG2 3.79Å; F75-V79 HydrophobicContact CG-CG2 4.43Å; F75-V79 HydrophobicContact CZ-CG2 4.42Å; F75-V79 WeakPolarHBondContact O-CB 3.5Å; F75-V79 WeakPolarHBondContact O-CG2 3.33Å; F75-V79 PolarHBondContact O-N 3.46Å
76	F	60.2	Low	57.7	Low	53 Å²	53	90.6 Å²	90.6	23%	0.232	46%	0.455	C	S	.	.	H	α-helix	trans	-64	-39.3	177.3	-166.8	-92.2	0	0	0	112.3	F72 L73 K80 F88	F72-F76 HydrophobicContact CE1-CD2 4.38Å; F72-F76 VanDerWaalsContact O-CB 3.31Å; F72-F76 WeakPolarHBondContact O-CB 3.17Å; F72-F76 PolarHBondContact O-N 2.88Å; L73-F76 PolarHBondContact O-N 2.95Å; L73-F76 VanDerWaalsContact O-N 3.16Å; F76-K80 HydrophobicContact CD1-CD 4.2Å; F76-K80 HydrophobicContact CE1-CD 3.97Å; F76-K80 HydrophobicContact CE1-CG 4.47Å; F76-K80 WeakPolarHBondContact O-CG 3.44Å; F76-K80 PolarHBondContact O-N 3.31Å; F76-K80 VanDerWaalsContact O-N 3.08Å; F76-F88 HydrophobicContact CD2-CD1 4.17Å; F76-F88 AromaticContact CD2-CD2 3.86Å; F76-F88 HydrophobicContact CD2-CD2 3.86Å; F76-F88 AromaticContact CD2-CE1 3.72Å; F76-F88 HydrophobicContact CD2-CE1 3.72Å; F76-F88 AromaticContact CD2-CE2 3.35Å; F76-F88 HydrophobicContact CD2-CE2 3.35Å; F76-F88 HydrophobicContact CD2-CG 4.23Å; F76-F88 AromaticContact CD2-CZ 3.28Å; F76-F88 HydrophobicContact CD2-CZ 3.28Å; F76-F88 HydrophobicContact CE2-CD1 4.17Å; F76-F88 AromaticContact CE2-CD2 3.28Å; F76-F88 HydrophobicContact CE2-CD2 3.28Å; F76-F88 HydrophobicContact CE2-CE1 4.12Å; F76-F88 AromaticContact CE2-CE2 3.19Å; F76-F88 HydrophobicContact CE2-CE2 3.19Å; F76-F88 AromaticContact CE2-CG 3.78Å; F76-F88 HydrophobicContact CE2-CG 3.78Å; F76-F88 AromaticContact CE2-CZ 3.65Å; F76-F88 HydrophobicContact CE2-CZ 3.65Å; F76-F88 HydrophobicContact CG-CE2 4.47Å; F76-F88 HydrophobicContact CG-CZ 4.33Å; F76-F88 HydrophobicContact CZ-CD2 4.26Å; F76-F88 HydrophobicContact CZ-CE2 4.23Å
77	F	54.4	Low	57.1	Low	126 Å²	126	90.1 Å²	90.1	55%	0.553	45%	0.449	S	S	*	.	H	α-helix	trans	-74.8	-37.9	177.7	-76.3	-67.6	0	0	0	113.3	L73 K74 F75 V79	L73-F77 HydrophobicContact CB-CD2 4.34Å; L73-F77 HydrophobicContact CB-CE2 4.32Å; L73-F77 HydrophobicContact CD2-CE2 4.24Å; L73-F77 WeakPolarHBondContact O-CD2 3.34Å; L73-F77 PolarHBondContact O-N 3.1Å; K74-F77 PolarHBondContact O-N 3.18Å; F75-F77 PolarHBondContact O-N 3.42Å; F77-V79 VanDerWaalsContact C-N 3.31Å
78	T	54.3	Low	56.6	Low	68 Å²	68	87.8 Å²	87.8	42%	0.417	43%	0.434	S	S	.	.	H	α-helix	trans	-68.8	-33.4	174.9	50.9	0	0	0	0	111.7	K74 F75 N81 L82	K74-T78 WeakPolarHBondContact O-CB 3.45Å; K74-T78 WeakPolarHBondContact O-CG2 3.04Å; K74-T78 PolarHBondContact O-N 2.02Å; K74-T78 PolarHBondContact O-OG1 2.77Å; F75-T78 WeakPolarHBondContact CA-OG1 3.4Å; F75-T78 PolarHBondContact O-OG1 2.04Å; F75-T78 VanDerWaalsContact O-OG1 3.11Å; T78-N81 PolarHBondContact O-N 3.09Å; T78-L82 WeakPolarHBondContact O-CD1 3.23Å
79	V	54.7	Low	56.1	Low	13 Å²	13	90.4 Å²	90.4	8%	0.079	44%	0.436	C	S	.	.	H	α-helix	trans	-77.5	-28.8	179.3	176.4	0	0	0	0	112.6	F75 F77 N81 L82 Y86	F75-V79 HydrophobicContact CD1-CG2 3.8Å; F75-V79 HydrophobicContact CE1-CG2 3.79Å; F75-V79 HydrophobicContact CG-CG2 4.43Å; F75-V79 HydrophobicContact CZ-CG2 4.42Å; F75-V79 WeakPolarHBondContact O-CB 3.5Å; F75-V79 WeakPolarHBondContact O-CG2 3.33Å; F75-V79 PolarHBondContact O-N 3.46Å; F77-V79 VanDerWaalsContact C-N 3.31Å; V79-N81 PolarHBondContact O-N 3.21Å; V79-L82 WeakPolarHBondContact O-CB 3.14Å; V79-L82 PolarHBondContact O-N 3.18Å; V79-Y86 HydrophobicContact CB-CD2 4.46Å; V79-Y86 HydrophobicContact CG1-CD2 2.98Å; V79-Y86 HydrophobicContact CG1-CE2 3.26Å; V79-Y86 HydrophobicContact CG1-CG 3.85Å
80	K	51.2	Low	55.3	Low	141 Å²	141	91.8 Å²	91.8	61%	0.613	44%	0.441	S	S	*	.	H	α-helix	trans	-61.7	-22.3	170.3	-87.7	-174.3	164.6	-175.6	0	114.1	F76	F76-K80 HydrophobicContact CD1-CD 4.2Å; F76-K80 HydrophobicContact CE1-CD 3.97Å; F76-K80 HydrophobicContact CE1-CG 4.47Å; F76-K80 WeakPolarHBondContact O-CG 3.44Å; F76-K80 PolarHBondContact O-N 3.31Å; F76-K80 VanDerWaalsContact O-N 3.08Å
81	N	53.4	Low	54.7	Low	148 Å²	148	91.9 Å²	91.9	79%	0.791	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	0.5	173.8	-77.3	-27.3	0	0	0	113.3	T78 V79	T78-N81 PolarHBondContact O-N 3.09Å; V79-N81 PolarHBondContact O-N 3.21Å
82	L	56.8	Low	54.2	Low	86 Å²	86	97.9 Å²	97.9	45%	0.45	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	145.6	164.4	-90.9	74.4	0	0	0	108.5	T78 V79 I84	T78-L82 WeakPolarHBondContact O-CD1 3.23Å; V79-L82 WeakPolarHBondContact O-CB 3.14Å; V79-L82 PolarHBondContact O-N 3.18Å; L82-I84 HydrophobicContact CB-CB 4.48Å; L82-I84 HydrophobicContact CB-CD1 4.45Å; L82-I84 HydrophobicContact CB-CG1 4.27Å; L82-I84 HydrophobicContact CD2-CD1 3.86Å; L82-I84 PolarHBondContact O-N 3.45Å
83	P	54.5	Low	53.3	Low	78 Å²	78	97.2 Å²	97.2	51%	0.506	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	33	175.3	32.2	-36	0	0	0	112.3	I109 V114	P83-I109 VanDerWaalsContact O-CD1 3.23Å; P83-I109 WeakPolarHBondContact O-CD1 3.08Å; P83-V114 HydrophobicContact CB-CG1 3.76Å; P83-V114 HydrophobicContact CB-CG2 4.5Å
84	I	55.6	Low	52.6	Low	55 Å²	55	105.6 Å²	105.6	28%	0.282	50%	0.5	S	S	.	.			trans	-114.1	107.7	-179.4	-52.2	175.7	0	0	0	107.2	L82 Y86	L82-I84 HydrophobicContact CB-CB 4.48Å; L82-I84 HydrophobicContact CB-CD1 4.45Å; L82-I84 HydrophobicContact CB-CG1 4.27Å; L82-I84 HydrophobicContact CD2-CD1 3.86Å; L82-I84 PolarHBondContact O-N 3.45Å; I84-Y86 VanDerWaalsContact C-N 3.33Å; I84-Y86 HydrophobicContact CB-CD2 3.96Å; I84-Y86 HydrophobicContact CB-CE2 3.87Å; I84-Y86 HydrophobicContact CD1-CE2 4.31Å; I84-Y86 HydrophobicContact CG2-CD2 3.56Å; I84-Y86 HydrophobicContact CG2-CE2 3.5Å; I84-Y86 HydrophobicContact CG2-CG 4.35Å; I84-Y86 PolarHBondContact O-N 3.35Å
85	L	45.3	Very low	52.1	Low	124 Å²	124	112.7 Å²	112.7	65%	0.649	52%	0.524	S	S	*	.			trans	-66.9	96.3	165.6	-72.8	165.4	0	0	0	107.9	Q87 I109	L85-Q87 PolarHBondContact O-N 2.88Å; L85-I109 HydrophobicContact CB-CD1 3.89Å; L85-I109 HydrophobicContact CD1-CD1 4.09Å; L85-I109 HydrophobicContact CG-CD1 3.95Å; L85-I109 VanDerWaalsContact N-CD1 3.31Å
86	Y	49.4	Very low	51.7	Low	65 Å²	65	115.6 Å²	115.6	26%	0.255	54%	0.539	S	S	.	.			trans	-76.9	115.3	166.5	-84.8	-86.4	0	0	0	109.1	V79 I84 F88 V104	V79-Y86 HydrophobicContact CB-CD2 4.46Å; V79-Y86 HydrophobicContact CG1-CD2 2.98Å; V79-Y86 HydrophobicContact CG1-CE2 3.26Å; V79-Y86 HydrophobicContact CG1-CG 3.85Å; I84-Y86 VanDerWaalsContact C-N 3.33Å; I84-Y86 HydrophobicContact CB-CD2 3.96Å; I84-Y86 HydrophobicContact CB-CE2 3.87Å; I84-Y86 HydrophobicContact CD1-CE2 4.31Å; I84-Y86 HydrophobicContact CG2-CD2 3.56Å; I84-Y86 HydrophobicContact CG2-CE2 3.5Å; I84-Y86 HydrophobicContact CG2-CG 4.35Å; I84-Y86 PolarHBondContact O-N 3.35Å; Y86-F88 VanDerWaalsContact CB-CE2 3.49Å; Y86-F88 VanDerWaalsContact O-CD2 3.27Å; Y86-F88 WeakPolarHBondContact O-CD2 3.28Å; Y86-F88 PolarHBondContact O-N 2.03Å; Y86-V104 HydrophobicContact CD1-CG1 3.08Å; Y86-V104 HydrophobicContact CE1-CG1 3.18Å; Y86-V104 HydrophobicContact CG-CG1 4.22Å
87	Q	44	Very low	51	Low	119 Å²	119	120.4 Å²	120.4	56%	0.556	56%	0.562	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-79.3	102.8	169.1	-72.4	-70.8	-4.7	0	0	108.4	L85 K89	L85-Q87 PolarHBondContact O-N 2.88Å; Q87-K89 PolarHBondContact O-N 3.01Å
88	F	50.2	Low	50.9	Low	53 Å²	53	126.6 Å²	126.6	23%	0.232	58%	0.582	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.5	97.7	174.6	-69.3	-93	0	0	0	109.4	F72 F76 Y86 K90 V104	F72-F88 HydrophobicContact CE2-CD1 4.5Å; F72-F88 HydrophobicContact CE2-CE1 4.3Å; F72-F88 HydrophobicContact CZ-CD1 4.05Å; F72-F88 HydrophobicContact CZ-CE1 4.08Å; F76-F88 HydrophobicContact CD2-CD1 4.17Å; F76-F88 AromaticContact CD2-CD2 3.86Å; F76-F88 HydrophobicContact CD2-CD2 3.86Å; F76-F88 AromaticContact CD2-CE1 3.72Å; F76-F88 HydrophobicContact CD2-CE1 3.72Å; F76-F88 AromaticContact CD2-CE2 3.35Å; F76-F88 HydrophobicContact CD2-CE2 3.35Å; F76-F88 HydrophobicContact CD2-CG 4.23Å; F76-F88 AromaticContact CD2-CZ 3.28Å; F76-F88 HydrophobicContact CD2-CZ 3.28Å; F76-F88 HydrophobicContact CE2-CD1 4.17Å; F76-F88 AromaticContact CE2-CD2 3.28Å; F76-F88 HydrophobicContact CE2-CD2 3.28Å; F76-F88 HydrophobicContact CE2-CE1 4.12Å; F76-F88 AromaticContact CE2-CE2 3.19Å; F76-F88 HydrophobicContact CE2-CE2 3.19Å; F76-F88 AromaticContact CE2-CG 3.78Å; F76-F88 HydrophobicContact CE2-CG 3.78Å; F76-F88 AromaticContact CE2-CZ 3.65Å; F76-F88 HydrophobicContact CE2-CZ 3.65Å; F76-F88 HydrophobicContact CG-CE2 4.47Å; F76-F88 HydrophobicContact CG-CZ 4.33Å; F76-F88 HydrophobicContact CZ-CD2 4.26Å; F76-F88 HydrophobicContact CZ-CE2 4.23Å; Y86-F88 VanDerWaalsContact CB-CE2 3.49Å; Y86-F88 VanDerWaalsContact O-CD2 3.27Å; Y86-F88 WeakPolarHBondContact O-CD2 3.28Å; Y86-F88 PolarHBondContact O-N 2.03Å; F88-K90 PolarHBondContact O-N 3.47Å; F88-V104 HydrophobicContact CD1-CG2 4.35Å; F88-V104 HydrophobicContact CE1-CG2 4.07Å
89	K	50.7	Low	50.7	Low	138 Å²	138	129.2 Å²	129.2	60%	0.6	59%	0.589	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-82	115.3	168.8	-66.8	-173.4	-178.9	-179.4	0	108.5	Q87 T91 S103	Q87-K89 PolarHBondContact O-N 3.01Å; K89-T91 PolarHBondContact O-N 3.06Å; K89-T91 VanDerWaalsContact O-N 3.16Å; K89-S103 PolarHBondContact O-OG 3.04Å
90	K	50.8	Low	50.3	Low	176 Å²	176	134.7 Å²	134.7	77%	0.765	62%	0.617	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-61.6	113.5	164.3	-76.9	-179.8	179.6	176.4	0	107.3	F88 F102	F88-K90 PolarHBondContact O-N 3.47Å; K90-F102 HydrophobicContact CG-CD1 4.4Å; K90-F102 HydrophobicContact CG-CE1 3.8Å
91	T	49.8	Very low	50.1	Low	60 Å²	60	130.5 Å²	130.5	37%	0.368	61%	0.608	S	S	.	*			trans	-88.7	139.3	167.6	54.9	0	0	0	0	108.3	K89 A93 A101 S103	K89-T91 PolarHBondContact O-N 3.06Å; K89-T91 VanDerWaalsContact O-N 3.16Å; T91-A93 PolarHBondContact O-N 2.99Å; T91-A101 PolarHBondContact OG1-O 3.03Å; T91-A101 VanDerWaalsContact OG1-O 3.05Å; T91-S103 WeakPolarHBondContact CG2-OG 3.29Å
92	K	48.8	Very low	49.7	Very low	207 Å²	207	126.4 Å²	126.4	90%	0.9	58%	0.584	S	S	*	*			trans	-66.4	103.1	178.4	-172	173.1	-178.6	176.1	0	108	R94	K92-R94 PolarHBondContact O-N 3.28Å
93	A	47.7	Very low	49.2	Very low	45 Å²	45	124.8 Å²	124.8	37%	0.372	58%	0.58	S	S	.	*			trans	-59.2	124.8	177.2	0	0	0	0	0	110	T91	T91-A93 PolarHBondContact O-N 2.99Å
94	R	47.7	Very low	48.8	Very low	236 Å²	236	124.4 Å²	124.4	89%	0.891	58%	0.576	S	S	*	*			trans	-65.6	137.1	167.8	-84.6	-176.8	174.9	177.5	-1.4	108.7	K92 Q96	K92-R94 PolarHBondContact O-N 3.28Å; R94-Q96 PolarHBondContact O-N 3.12Å
95	R	51.8	Low	48.4	Very low	257 Å²	257	124.1 Å²	124.1	97%	0.97	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	14.4	-164.6	-116.3	178.6	-174.7	171.5	-0.4	118.4
96	Q	54.5	Low	48.7	Very low	179 Å²	179	122.4 Å²	122.4	84%	0.836	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114	-5.6	-170.8	-87.8	174.8	-37.8	0	0	116.8	R94	R94-Q96 PolarHBondContact O-N 3.12Å
97	H	45.7	Very low	48.5	Very low	154 Å²	154	123.3 Å²	123.3	71%	0.713	59%	0.589	S	S	*	*	S	Bend	trans	-139.8	135.6	163.9	-83.6	-93.4	0	0	0	109.7	H99	H97-H99 PolarHBondContact O-N 3.36Å
98	R	51.5	Low	48.7	Very low	257 Å²	257	123 Å²	123	97%	0.97	60%	0.598	S	S	*	*	S	Bend	trans	-65.1	31.1	177.4	-100.5	-177.4	179	-178.8	0.3	113.9
99	H	50.4	Low	48.4	Very low	122 Å²	122	122.7 Å²	122.7	57%	0.565	60%	0.598	S	S	*	*			trans	-110.3	116.3	175.5	-68.5	-86.6	0	0	0	108.9	H97 A101	H97-H99 PolarHBondContact O-N 3.36Å; H99-A101 PolarHBondContact O-N 3.35Å; H99-A101 VanDerWaalsContact O-N 3.09Å
100	L	47	Very low	47.9	Very low	129 Å²	129	120.2 Å²	120.2	68%	0.675	60%	0.596	S	S	*	*			trans	-63.7	107.2	165.2	-75.8	162.6	0	0	0	107.2	F102	L100-F102 HydrophobicContact CB-CD2 4.27Å; L100-F102 HydrophobicContact CB-CE2 3.64Å; L100-F102 HydrophobicContact CB-CZ 4.27Å; L100-F102 HydrophobicContact CD1-CE2 4.48Å; L100-F102 WeakPolarHBondContact O-CD2 3.18Å
101	A	46.8	Very low	48	Very low	52 Å²	52	115.5 Å²	115.5	43%	0.43	58%	0.578	S	S	.	*			trans	-71.6	128	169.9	0	0	0	0	0	108.6	T91 H99	T91-A101 PolarHBondContact OG1-O 3.03Å; T91-A101 VanDerWaalsContact OG1-O 3.05Å; H99-A101 PolarHBondContact O-N 3.35Å; H99-A101 VanDerWaalsContact O-N 3.09Å
102	F	45.8	Very low	47.9	Very low	63 Å²	63	120.7 Å²	120.7	28%	0.276	60%	0.598	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.5	119.9	168.7	-69.6	-90.2	0	0	0	107.3	F72 K90 L100	F72-F102 HydrophobicContact CD2-CD2 4.31Å; F72-F102 HydrophobicContact CE1-CD2 4.48Å; F72-F102 HydrophobicContact CE1-CE2 4.27Å; F72-F102 HydrophobicContact CE1-CZ 4.38Å; F72-F102 HydrophobicContact CE2-CB 3.96Å; F72-F102 HydrophobicContact CE2-CD1 4.44Å; F72-F102 AromaticContact CE2-CD2 3.62Å; F72-F102 HydrophobicContact CE2-CD2 3.62Å; F72-F102 HydrophobicContact CE2-CE2 4.19Å; F72-F102 AromaticContact CE2-CG 3.76Å; F72-F102 HydrophobicContact CE2-CG 3.76Å; F72-F102 HydrophobicContact CZ-CB 4.32Å; F72-F102 AromaticContact CZ-CD1 3.98Å; F72-F102 HydrophobicContact CZ-CD1 3.98Å; F72-F102 AromaticContact CZ-CD2 3.72Å; F72-F102 HydrophobicContact CZ-CD2 3.72Å; F72-F102 HydrophobicContact CZ-CE1 4.17Å; F72-F102 AromaticContact CZ-CE2 3.93Å; F72-F102 HydrophobicContact CZ-CE2 3.93Å; F72-F102 AromaticContact CZ-CG 3.75Å; F72-F102 HydrophobicContact CZ-CG 3.75Å; F72-F102 HydrophobicContact CZ-CZ 4.15Å; K90-F102 HydrophobicContact CG-CD1 4.4Å; K90-F102 HydrophobicContact CG-CE1 3.8Å; L100-F102 HydrophobicContact CB-CD2 4.27Å; L100-F102 HydrophobicContact CB-CE2 3.64Å; L100-F102 HydrophobicContact CB-CZ 4.27Å; L100-F102 HydrophobicContact CD1-CE2 4.48Å; L100-F102 WeakPolarHBondContact O-CD2 3.18Å
103	S	44.7	Very low	47.6	Very low	52 Å²	52	116.2 Å²	116.2	36%	0.364	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.9	121.5	167.9	56.7	0	0	0	0	108.1	K89 T91	K89-S103 PolarHBondContact O-OG 3.04Å; T91-S103 WeakPolarHBondContact CG2-OG 3.29Å
104	V	47.4	Very low	47.5	Very low	69 Å²	69	116.8 Å²	116.8	42%	0.418	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.5	111.6	175.9	-177.9	0	0	0	0	107.4	Y86 F88	Y86-V104 HydrophobicContact CD1-CG1 3.08Å; Y86-V104 HydrophobicContact CE1-CG1 3.18Å; Y86-V104 HydrophobicContact CG-CG1 4.22Å; F88-V104 HydrophobicContact CD1-CG2 4.35Å; F88-V104 HydrophobicContact CE1-CG2 4.07Å
105	S	47	Very low	47.2	Very low	49 Å²	49	111.7 Å²	111.7	34%	0.343	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.2	118	171.2	55.9	0	0	0	0	109.2	V107	S105-V107 PolarHBondContact O-N 2.74Å
106	S	50.5	Low	46.6	Very low	88 Å²	88	103.9 Å²	103.9	62%	0.615	56%	0.557	S	S	*	*			trans	-74.7	107	168.3	36.1	0	0	0	0	108.9
107	V	45.2	Very low	45.9	Very low	85 Å²	85	103.9 Å²	103.9	52%	0.515	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-91.7	118.3	163.8	-175.7	0	0	0	0	106.2	S105 I109	S105-V107 PolarHBondContact O-N 2.74Å; V107-I109 PolarHBondContact O-N 2.72Å; V107-I109 VanDerWaalsContact O-N 3.11Å
108	P	48.4	Very low	45.5	Very low	113 Å²	113	102.7 Å²	102.7	73%	0.734	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-61.6	117	173.5	23.7	-29.5	0	0	0	108.5	P110	P108-P110 WeakPolarHBondContact O-CD 3.4Å
109	I	43.3	Very low	44.7	Very low	46 Å²	46	94.9 Å²	94.9	24%	0.236	54%	0.537	C	S	.	.	P	Polyproline II helix	trans	-69.8	121.8	169.1	-64.8	162.4	0	0	0	106.9	P83 L85 V107 I111 N113 V114	P83-I109 VanDerWaalsContact O-CD1 3.23Å; P83-I109 WeakPolarHBondContact O-CD1 3.08Å; L85-I109 HydrophobicContact CB-CD1 3.89Å; L85-I109 HydrophobicContact CD1-CD1 4.09Å; L85-I109 HydrophobicContact CG-CD1 3.95Å; L85-I109 VanDerWaalsContact N-CD1 3.31Å; V107-I109 PolarHBondContact O-N 2.72Å; V107-I109 VanDerWaalsContact O-N 3.11Å; I109-I111 PolarHBondContact O-N 3.24Å; I109-N113 HydrophobicContact CG2-CB 4.21Å; I109-V114 HydrophobicContact CG2-CG2 3.88Å
110	P	41	Very low	44.1	Very low	86 Å²	86	93.2 Å²	93.2	56%	0.558	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-59.7	125.5	165.4	23.8	-29.5	0	0	0	108	P108 E112 N113	P108-P110 WeakPolarHBondContact O-CD 3.4Å; P110-E112 PolarHBondContact O-N 2.98Å; P110-N113 PolarHBondContact O-N 3.28Å
111	I	53.4	Low	43.8	Very low	77 Å²	77	92.7 Å²	92.7	40%	0.395	54%	0.544	S	S	.	.	G	3₁₀ helix	trans	-66.2	-7.1	-165.1	-35.2	-154.6	0	0	0	112.5	R41 I109 N113 V114	R41-I111 VanDerWaalsContact NE-CD1 3.29Å; R41-I111 VanDerWaalsContact NH1-CG1 3.3Å; I109-I111 PolarHBondContact O-N 3.24Å; I111-N113 PolarHBondContact O-N 3.05Å; I111-V114 PolarHBondContact O-N 3.21Å
112	E	46.8	Very low	43.7	Very low	168 Å²	168	98.5 Å²	98.5	79%	0.785	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-61.6	-22.3	170.8	-66.8	176.2	-171.9	0	0	112.4	P110	P110-E112 PolarHBondContact O-N 2.98Å
113	N	42.7	Very low	43.6	Very low	114 Å²	114	102.4 Å²	102.4	61%	0.61	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-99	-0	-179.1	-71.2	8.2	0	0	0	115.1	I109 P110 I111 S116	I109-N113 HydrophobicContact CG2-CB 4.21Å; P110-N113 PolarHBondContact O-N 3.28Å; I111-N113 PolarHBondContact O-N 3.05Å; N113-S116 PolarHBondContact O-OG 3.35Å
114	V	45	Very low	43.4	Very low	56 Å²	56	106.7 Å²	106.7	34%	0.339	60%	0.603	S	S	.	*	S	Bend	trans	-90.3	-7	-178.3	-179.6	0	0	0	0	112.2	P83 I109 I111	P83-V114 HydrophobicContact CB-CG1 3.76Å; P83-V114 HydrophobicContact CB-CG2 4.5Å; I109-V114 HydrophobicContact CG2-CG2 3.88Å; I111-V114 PolarHBondContact O-N 3.21Å
115	I	42.9	Very low	42.7	Very low	129 Å²	129	107.6 Å²	107.6	66%	0.662	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-0.2	-175.7	-33.8	-178.4	0	0	0	112.6
116	S	38.4	Very low	42.1	Very low	93 Å²	93	116.4 Å²	116.4	65%	0.65	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	-2.2	-172.6	52.1	0	0	0	0	117.1	N113	N113-S116 PolarHBondContact O-OG 3.35Å
117	E	39.2	Very low	41.7	Very low	180 Å²	180	117.9 Å²	117.9	84%	0.841	64%	0.643	S	S	*	*	S	Bend	trans	-125.7	8.9	-175	-76.4	-176.3	139.7	0	0	115.9
118	T	38.9	Very low	41.4	Very low	128 Å²	128	122.5 Å²	122.5	79%	0.785	66%	0.664	S	S	*	*	S	Bend	trans	-109.7	7.7	170.6	52.8	0	0	0	0	114.4	S120	T118-S120 PolarHBondContact O-N 3.23Å
119	L	33.8	Very low	41.3	Very low	93 Å²	93	121.8 Å²	121.8	49%	0.487	66%	0.662	S	S	.	*	S	Bend	trans	-92	99.7	168.4	-79.6	150.1	0	0	0	107.8	L123	L119-L123 HydrophobicContact CD2-CB 4.3Å
120	S	37.2	Very low	41.3	Very low	87 Å²	87	125 Å²	125	61%	0.608	69%	0.689	S	S	*	*			trans	-39.3	133.6	154.1	-171.2	0	0	0	0	108.5	T118 E122	T118-S120 PolarHBondContact O-N 3.23Å; S120-E122 PolarHBondContact O-N 3.49Å
121	P	41.4	Very low	41.5	Very low	118 Å²	118	127.4 Å²	127.4	77%	0.766	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	18.6	-166.1	25.8	-34.7	0	0	0	116
122	E	44	Very low	41.2	Very low	175 Å²	175	130.5 Å²	130.5	82%	0.818	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.7	7.6	-175.2	-65.1	-150.5	142.7	0	0	115.9	S120	S120-E122 PolarHBondContact O-N 3.49Å
123	L	43.6	Very low	41.1	Very low	145 Å²	145	128.2 Å²	128.2	76%	0.759	73%	0.727	S	S	*	*	S	Bend	trans	-117.8	9.9	178.6	-71.9	171.9	0	0	0	115.8	L119 S125	L119-L123 HydrophobicContact CD2-CB 4.3Å; L123-S125 PolarHBondContact O-N 2.83Å
124	I	40.9	Very low	41.3	Very low	142 Å²	142	126.4 Å²	126.4	73%	0.728	74%	0.736	S	S	*	*			trans	-94.6	21.5	-176.8	-52.5	178	0	0	0	113.4
125	S	33.4	Very low	41.3	Very low	88 Å²	88	130.8 Å²	130.8	62%	0.615	76%	0.757	S	S	*	*			trans	-123.4	101.6	168.9	125.7	0	0	0	0	106.1	L123	L123-S125 PolarHBondContact O-N 2.83Å
126	W	35.2	Very low	41.4	Very low	233 Å²	233	131.4 Å²	131.4	88%	0.883	77%	0.767	S	S	*	*	S	Bend	trans	177.7	118.4	134.9	-79.4	110.3	0	0	0	107.2
127	T	42.2	Very low	41.7	Very low	119 Å²	119	136.7 Å²	136.7	73%	0.73	77%	0.772	S	S	*	*			trans	78.1	75.1	158.4	66.3	0	0	0	0	118.8	S129	T127-S129 PolarHBondContact O-N 2.84Å
128	L	38.6	Very low	42.1	Very low	182 Å²	182	141.7 Å²	141.7	95%	0.953	79%	0.785	S	S	*	*			trans	-58.5	110.3	133.9	-83.5	156.2	0	0	0	108.9
129	S	45.8	Very low	42.3	Very low	98 Å²	98	142.4 Å²	142.4	69%	0.685	79%	0.785	S	S	*	*			trans	178.2	97.8	152.6	52	0	0	0	0	111.6	T127	T127-S129 PolarHBondContact O-N 2.84Å
130	S	43.3	Very low	42.7	Very low	115 Å²	115	145 Å²	145	80%	0.804	80%	0.801	S	S	*	*			trans	177.5	90.7	133	36.4	0	0	0	0	109.5
131	T	46	Very low	43	Very low	135 Å²	135	148.2 Å²	148.2	83%	0.828	81%	0.812	S	S	*	*			trans	-33.1	130.1	142.1	34.2	0	0	0	0	112.4
132	T	45.7	Very low	43.1	Very low	142 Å²	142	150 Å²	150	87%	0.871	82%	0.815	S	S	*	*				-159.7	110.1	122.4	30.9	0	0	0	0	110.6
133	S	44.5	Very low	43	Very low	120 Å²	120	148.4 Å²	148.4	84%	0.839	81%	0.814	S	S	*	*			trans	-13.2	132.3	148.4	-163	0	0	0	0	116.7
134	G	47.7	Very low	43	Very low	77 Å²	77	148.7 Å²	148.7	79%	0.794	82%	0.818	S	S	*	*			trans	-165	74	168.4	0	0	0	0	0	110.8
135	N	44.9	Very low	43.2	Very low	148 Å²	148	149.1 Å²	149.1	79%	0.791	82%	0.824	S	S	*	*			trans	-67.8	127.5	166.1	-90.7	-46.8	0	0	0	109.8
136	V	45.6	Very low	43.9	Very low	142 Å²	142	153.8 Å²	153.8	86%	0.861	84%	0.841	S	S	*	*			trans	-134.8	119.5	147.7	-179.9	0	0	0	0	107.9
137	R	44	Very low	44.6	Very low	203 Å²	203	147.3 Å²	147.3	77%	0.766	84%	0.837	S	S	*	*			trans	-91.2	152.8	169.3	-82.8	-175.5	-174.5	168.6	2.1	109.6
138	Y	47.5	Very low	44.9	Very low	286 Å²	286	149.8 Å²	149.8	100%	1.122	85%	0.847	S	S	*	*			trans	83.9	0	173	-60.6	-77.2	0	0	0	116.3

Retrieved 138 of 138 residues in 164.6 ms (Link to these results)

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