A0A087XM24_POEFO Loading...

Chromosome 2 open reading frame 42

AlphaFold DB , UniProt , Accession A0A087XM24, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 571 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	R	45.8	Very low	47.6	Very low	299 Å²	299	156.1 Å²	156.1	100%	1.128	79%	0.786	S	S	*	*				0	92.7	0	174.3	-173.5	-178.3	179.7	1.7	107
2	E	34.9	Very low	49.1	Very low	179 Å²	179	150.1 Å²	150.1	84%	0.836	78%	0.778	S	S	*	*			trans	-150	147.7	172.7	-164.5	47.9	-94.3	0	0	109.8	R4	E2-R4 PolarHBondContact O-N 3.5Å
3	S	36.1	Very low	50.7	Low	96 Å²	96	151.4 Å²	151.4	67%	0.671	78%	0.775	S	S	*	*			trans	-82.7	108.7	-159.8	-169.4	0	0	0	0	114.2	R5	S3-R5 PolarHBondContact O-N 3.23Å
4	R	39.3	Very low	51.4	Low	240 Å²	240	144.6 Å²	144.6	91%	0.906	74%	0.741	S	S	*	*			trans	-68	97.5	161.9	-74	-174	179.1	178.4	1	109.1	E2 S6	E2-R4 PolarHBondContact O-N 3.5Å; R4-S6 PolarHBondContact O-N 3.04Å
5	R	42.8	Very low	52.3	Low	234 Å²	234	140.4 Å²	140.4	88%	0.883	73%	0.729	S	S	*	*			trans	-58.5	122.9	167.1	-80	-174.6	171.4	177.1	-1.7	109.4	S3 T7	S3-R5 PolarHBondContact O-N 3.23Å; R5-T7 PolarHBondContact O-N 3.33Å
6	S	40.6	Very low	52.9	Low	109 Å²	109	141.1 Å²	141.1	76%	0.762	74%	0.735	S	S	*	*			trans	-63.6	131.2	176.2	37.9	0	0	0	0	110.8	R4 T8	R4-S6 PolarHBondContact O-N 3.04Å; S6-T8 PolarHBondContact O-N 3.29Å
7	T	46.4	Very low	53.1	Low	130 Å²	130	140.2 Å²	140.2	80%	0.798	73%	0.73	S	S	*	*			trans	-69.8	113.2	164.7	45.4	0	0	0	0	108.3	R5 T9	R5-T7 PolarHBondContact O-N 3.33Å; T7-T9 PolarHBondContact O-N 3.32Å
8	T	51.6	Low	53.7	Low	135 Å²	135	136.3 Å²	136.3	83%	0.828	73%	0.73	S	S	*	*			trans	-61	106.4	177.2	-41.2	0	0	0	0	109.8	S6 T10	S6-T8 PolarHBondContact O-N 3.29Å; T8-T10 PolarHBondContact O-N 3.38Å
9	T	58.4	Low	54.2	Low	127 Å²	127	141.7 Å²	141.7	78%	0.779	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-60.8	119.8	-178.3	-48.1	0	0	0	0	110.1	T7	T7-T9 PolarHBondContact O-N 3.32Å
10	T	59.4	Low	54.4	Low	98 Å²	98	139.8 Å²	139.8	60%	0.601	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-61.5	128.7	177.9	-37.2	0	0	0	0	109.7	T8 A12 L14	T8-T10 PolarHBondContact O-N 3.38Å; T10-A12 PolarHBondContact O-N 3.25Å; T10-L14 HydrophobicContact CG2-CB 3.93Å
11	P	68.5	Low	55	Low	70 Å²	70	137 Å²	137	46%	0.455	73%	0.733	S	S	.	*	P	Polyproline II helix	trans	-51.9	138.5	176.3	-29.7	35.1	0	0	0	112.4	F13 L14	P11-F13 HydrophobicContact CB-CD1 3.83Å; P11-F13 HydrophobicContact CB-CE1 3.8Å; P11-F13 PolarHBondContact O-N 2.85Å; P11-F13 VanDerWaalsContact O-N 3.08Å; P11-L14 HydrophobicContact CB-CD1 4.3Å; P11-L14 HydrophobicContact CG-CD1 4.22Å; P11-L14 WeakPolarHBondContact O-CB 3.26Å; P11-L14 PolarHBondContact O-N 3.27Å
12	A	65.9	Low	55.9	Low	84 Å²	84	128.7 Å²	128.7	69%	0.694	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-55.4	-35.6	-169.1	0	0	0	0	0	114	T10 L14 S15	T10-A12 PolarHBondContact O-N 3.25Å; A12-L14 PolarHBondContact O-N 2.65Å; A12-S15 VanDerWaalsContact O-CB 3.28Å; A12-S15 WeakPolarHBondContact O-CB 3.28Å; A12-S15 PolarHBondContact O-N 3.15Å; A12-S15 VanDerWaalsContact O-N 3.15Å; A12-S15 PolarHBondContact O-OG 3.44Å
13	F	69.3	Low	57.4	Low	167 Å²	167	130 Å²	130	73%	0.732	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-66.7	-18.6	177.9	84.3	-85.1	0	0	0	114.4	P11	P11-F13 HydrophobicContact CB-CD1 3.83Å; P11-F13 HydrophobicContact CB-CE1 3.8Å; P11-F13 PolarHBondContact O-N 2.85Å; P11-F13 VanDerWaalsContact O-N 3.08Å
14	L	60.8	Low	59	Low	56 Å²	56	127.5 Å²	127.5	29%	0.293	70%	0.697	S	S	.	*	G	3₁₀ helix	trans	-95.3	-2.9	177.1	-61.2	171.8	0	0	0	112.7	T10 P11 A12 N16 L17	T10-L14 HydrophobicContact CG2-CB 3.93Å; P11-L14 HydrophobicContact CB-CD1 4.3Å; P11-L14 HydrophobicContact CG-CD1 4.22Å; P11-L14 WeakPolarHBondContact O-CB 3.26Å; P11-L14 PolarHBondContact O-N 3.27Å; A12-L14 PolarHBondContact O-N 2.65Å; L14-N16 PolarHBondContact O-N 3.01Å; L14-L17 HydrophobicContact CD2-CD1 3.63Å; L14-L17 WeakPolarHBondContact O-CB 3.4Å; L14-L17 PolarHBondContact O-N 3.31Å
15	S	64.1	Low	60.9	Low	82 Å²	82	119.7 Å²	119.7	57%	0.573	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	-30	-177.8	60.4	0	0	0	0	113.8	A12 L17	A12-S15 VanDerWaalsContact O-CB 3.28Å; A12-S15 WeakPolarHBondContact O-CB 3.28Å; A12-S15 PolarHBondContact O-N 3.15Å; A12-S15 VanDerWaalsContact O-N 3.15Å; A12-S15 PolarHBondContact O-OG 3.44Å; S15-L17 VanDerWaalsContact C-N 3.27Å; S15-L17 PolarHBondContact O-N 2.84Å
16	N	62.5	Low	62.8	Low	152 Å²	152	111 Å²	111	81%	0.813	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	-8.3	176	-68.8	-28.8	0	0	0	113.5	L14 G18	L14-N16 PolarHBondContact O-N 3.01Å; N16-G18 PolarHBondContact O-N 2.91Å
17	L	56.8	Low	64.9	Low	126 Å²	126	112 Å²	112	66%	0.66	63%	0.631	S	S	*	*	S	Bend	trans	-84.2	105.5	171.2	-59.4	179.2	0	0	0	108.8	L14 S15	L14-L17 HydrophobicContact CD2-CD1 3.63Å; L14-L17 WeakPolarHBondContact O-CB 3.4Å; L14-L17 PolarHBondContact O-N 3.31Å; S15-L17 VanDerWaalsContact C-N 3.27Å; S15-L17 PolarHBondContact O-N 2.84Å
18	G	62.9	Low	66.5	Low	70 Å²	70	105.9 Å²	105.9	72%	0.722	59%	0.593	S	S	*	*			trans	-53.2	149	-176.3	0	0	0	0	0	114	N16 A20	N16-G18 PolarHBondContact O-N 2.91Å; G18-A20 PolarHBondContact O-N 3.2Å
19	R	62.7	Low	67.7	Low	238 Å²	238	104.9 Å²	104.9	90%	0.898	59%	0.589	S	S	*	*	S	Bend	trans	-34.7	124.1	-173.3	-71.1	-175.5	176.7	-173.5	-0.2	113	T21	R19-T21 VanDerWaalsContact O-CG2 3.26Å; R19-T21 WeakPolarHBondContact O-CG2 3.08Å; R19-T21 PolarHBondContact O-N 3.23Å
20	A	60	Low	68.4	Low	104 Å²	104	105.9 Å²	105.9	86%	0.86	59%	0.585	S	S	*	*			trans	-52	96.2	-173.3	0	0	0	0	0	113.4	G18	G18-A20 PolarHBondContact O-N 3.2Å
21	T	66.3	Low	69.4	Low	81 Å²	81	103.4 Å²	103.4	50%	0.497	57%	0.571	S	S	.	*			trans	-79.4	136.2	179.3	76.9	0	0	0	0	110.1	R19 R23	R19-T21 VanDerWaalsContact O-CG2 3.26Å; R19-T21 WeakPolarHBondContact O-CG2 3.08Å; R19-T21 PolarHBondContact O-N 3.23Å; T21-R23 PolarHBondContact O-N 2.99Å; T21-R23 PolarHBondContact OG1-NE 2.85Å
22	L	64.2	Low	70	Confident	125 Å²	125	101.9 Å²	101.9	65%	0.654	57%	0.568	S	S	*	*			trans	-70.7	21.4	178.1	-57.2	175.6	0	0	0	113.8	I25	L22-I25 HydrophobicContact CB-CG1 4.41Å; L22-I25 HydrophobicContact CD2-CD1 3.93Å; L22-I25 WeakPolarHBondContact O-CG1 3.44Å
23	R	66.3	Low	70.9	Confident	205 Å²	205	100.4 Å²	100.4	77%	0.774	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	142.4	177.1	-67.1	-174.1	-119.4	-124.8	5.9	110.1	T21 I25	T21-R23 PolarHBondContact O-N 2.99Å; T21-R23 PolarHBondContact OG1-NE 2.85Å; R23-I25 VanDerWaalsContact C-N 3.25Å; R23-I25 PolarHBondContact O-N 3.27Å
24	G	70.4	Confident	71.6	Confident	45 Å²	45	98.3 Å²	98.3	46%	0.464	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	-0.5	178.7	0	0	0	0	0	115.5	G36 T37	G24-G36 WeakPolarHBondContact O-CA 3.3Å; G24-T37 PolarHBondContact O-N 2.86Å; G24-T37 PolarHBondContact O-OG1 2.85Å
25	I	79.2	Confident	72.7	Confident	75 Å²	75	95.7 Å²	95.7	39%	0.385	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	150.6	174.7	57.4	171.8	0	0	0	112.8	L22 R23 Y34 N35	L22-I25 HydrophobicContact CB-CG1 4.41Å; L22-I25 HydrophobicContact CD2-CD1 3.93Å; L22-I25 WeakPolarHBondContact O-CG1 3.44Å; R23-I25 VanDerWaalsContact C-N 3.25Å; R23-I25 PolarHBondContact O-N 3.27Å; I25-Y34 HydrophobicContact CD1-CD1 4.18Å; I25-N35 CarbonylContact C-O 3.48Å; I25-N35 WeakPolarHBondContact CA-O 3.46Å
26	R	82.8	Confident	73.4	Confident	52 Å²	52	93.2 Å²	93.2	20%	0.196	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	146.2	-179.9	58.3	178	173.8	-173.6	-0.8	110.7	Y34 N35 G36 T37 G39 L51 D53	R26-Y34 WeakPolarHBondContact O-CA 3.4Å; R26-N35 HydrophobicContact CG-CB 4.39Å; R26-N35 PolarHBondContact N-O 2.88Å; R26-N35 PolarHBondContact O-N 3.35Å; R26-G36 PolarHBondContact NE-O 3.37Å; R26-T37 PolarHBondContact NE-O 3.45Å; R26-T37 PolarHBondContact NH1-O 2.66Å; R26-T37 PolarHBondContact NH2-O 2.83Å; R26-G39 PolarHBondContact NH2-O 3.08Å; R26-L51 PolarHBondContact NH2-O 3.48Å; R26-D53 IonicContact CZ-OD1 3.92Å; R26-D53 IonicContact NH1-OD1 3.58Å; R26-D53 PolarHBondContact NH1-OD1 3.41Å; R26-D53 IonicContact NH2-OD1 2.82Å
27	K	83.4	Confident	73.8	Confident	130 Å²	130	88.8 Å²	88.8	57%	0.565	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	144.7	171.1	-67.3	-176	177.4	177.7	0	110.3	G32 V33 Y34	K27-G32 WeakPolarHBondContact CG-O 3.22Å; K27-V33 CarbonylContact C-O 3.56Å; K27-Y34 HydrophobicContact CD-CE1 4.2Å; K27-Y34 WeakPolarHBondContact CE-OH 3.48Å; K27-Y34 HydrophobicContact CG-CD1 3.81Å; K27-Y34 HydrophobicContact CG-CE1 3.59Å
28	C	80	Confident	74.5	Confident	2 Å²	2	94 Å²	94	1%	0.014	50%	0.501	C	S	.	.			trans	-69.9	129.9	163.9	178.2	0	0	0	0	109	Q30 G32 V33 L51	C28-Q30 PolarHBondContact O-N 3.12Å; C28-G32 VanDerWaalsContact O-CA 3.3Å; C28-G32 WeakPolarHBondContact O-CA 3.45Å; C28-G32 PolarHBondContact O-N 2.8Å; C28-V33 PolarHBondContact N-O 3.24Å; C28-L51 HydrophobicContact CB-CD2 4.4Å
29	P	77.7	Confident	74.9	Confident	113 Å²	113	92 Å²	92	73%	0.734	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-15.8	-179.3	28.8	-35.7	0	0	0	113.7
30	Q	72.3	Confident	75.3	Confident	149 Å²	149	86.5 Å²	86.5	70%	0.696	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	-25.3	-175.1	-78.6	-76.3	-15.2	0	0	114.2	C28 V49	C28-Q30 PolarHBondContact O-N 3.12Å; Q30-V49 HydrophobicContact CB-CG2 3.93Å; Q30-V49 HydrophobicContact CG-CG2 3.92Å
31	C	82.2	Confident	76.3	Confident	45 Å²	45	84.9 Å²	84.9	30%	0.304	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.8	9.8	177.5	66.2	0	0	0	0	114.9	V33 C47	C31-V33 PolarHBondContact O-N 3.38Å; C31-C47 HydrophobicContact CB-CB 4.14Å; C31-C47 VanDerWaalsContact SG-CB 3.57Å; C31-C47 PolarHBondContact SG-SG 2.78Å
32	G	80.3	Confident	77.1	Confident	38 Å²	38	81.5 Å²	81.5	39%	0.392	43%	0.43	S	S	.	.			trans	70.1	-19	176	0	0	0	0	0	116.6	K27 C28	K27-G32 WeakPolarHBondContact CG-O 3.22Å; C28-G32 VanDerWaalsContact O-CA 3.3Å; C28-G32 WeakPolarHBondContact O-CA 3.45Å; C28-G32 PolarHBondContact O-N 2.8Å
33	V	85.1	Confident	77.9	Confident	54 Å²	54	83.4 Å²	83.4	33%	0.327	43%	0.433	S	S	.	.			trans	-54.8	136.9	-176.5	173.8	0	0	0	0	112	K27 C28 C31 N35 N44	K27-V33 CarbonylContact C-O 3.56Å; C28-V33 PolarHBondContact N-O 3.24Å; C31-V33 PolarHBondContact O-N 3.38Å; V33-N35 PolarHBondContact O-ND2 3.08Å; V33-N44 HydrophobicContact CG2-CB 4.18Å
34	Y	84.3	Confident	78.6	Confident	122 Å²	122	76.5 Å²	76.5	48%	0.478	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	127.2	177.1	-64.8	-82.7	0	0	0	111.7	I25 R26 K27	I25-Y34 HydrophobicContact CD1-CD1 4.18Å; R26-Y34 WeakPolarHBondContact O-CA 3.4Å; K27-Y34 HydrophobicContact CD-CE1 4.2Å; K27-Y34 WeakPolarHBondContact CE-OH 3.48Å; K27-Y34 HydrophobicContact CG-CD1 3.81Å; K27-Y34 HydrophobicContact CG-CE1 3.59Å
35	N	82.6	Confident	78.8	Confident	2 Å²	2	84.1 Å²	84.1	1%	0.011	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	155.1	-178.2	-69.8	-77.2	0	0	0	109.8	I25 R26 V33 C42 K43 L51	I25-N35 CarbonylContact C-O 3.48Å; I25-N35 WeakPolarHBondContact CA-O 3.46Å; R26-N35 HydrophobicContact CG-CB 4.39Å; R26-N35 PolarHBondContact N-O 2.88Å; R26-N35 PolarHBondContact O-N 3.35Å; V33-N35 PolarHBondContact O-ND2 3.08Å; N35-C42 PolarHBondContact ND2-SG 3.47Å; N35-C42 VanDerWaalsContact ND2-SG 3.45Å; N35-C42 WeakPolarHBondContact OD1-CA 3.5Å; N35-K43 WeakPolarHBondContact OD1-CB 3.27Å; N35-K43 WeakPolarHBondContact OD1-CG 3.46Å; N35-K43 PolarHBondContact OD1-N 2.87Å; N35-L51 HydrophobicContact CB-CD1 3.67Å
36	G	79.6	Confident	78.5	Confident	29 Å²	29	85.2 Å²	85.2	30%	0.299	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	146.5	170.2	0	0	0	0	0	110.9	G24 R26 R38 G39	G24-G36 WeakPolarHBondContact O-CA 3.3Å; R26-G36 PolarHBondContact NE-O 3.37Å; G36-R38 PolarHBondContact O-N 3.43Å; G36-G39 PolarHBondContact O-N 3.29Å
37	T	71.4	Confident	78.3	Confident	60 Å²	60	84.3 Å²	84.3	37%	0.368	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-32.9	177.8	47	0	0	0	0	112.8	G24 R26 G39	G24-T37 PolarHBondContact O-N 2.86Å; G24-T37 PolarHBondContact O-OG1 2.85Å; R26-T37 PolarHBondContact NE-O 3.45Å; R26-T37 PolarHBondContact NH1-O 2.66Å; R26-T37 PolarHBondContact NH2-O 2.83Å; T37-G39 VanDerWaalsContact C-N 3.34Å
38	R	71.1	Confident	77.5	Confident	234 Å²	234	81 Å²	81	88%	0.883	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-1.1	175.5	-59.1	-176	-178	-133.5	1.9	114.5	G36 L40	G36-R38 PolarHBondContact O-N 3.43Å; R38-L40 PolarHBondContact O-N 3.38Å
39	G	71.3	Confident	77.3	Confident	28 Å²	28	83 Å²	83	29%	0.289	47%	0.468	S	S	.	.			trans	-79.8	112.6	-176.7	0	0	0	0	0	111.8	R26 G36 T37 S41	R26-G39 PolarHBondContact NH2-O 3.08Å; G36-G39 PolarHBondContact O-N 3.29Å; T37-G39 VanDerWaalsContact C-N 3.34Å; G39-S41 PolarHBondContact O-N 3.3Å
40	L	71.6	Confident	77	Confident	124 Å²	124	82.7 Å²	82.7	65%	0.649	47%	0.465	S	S	*	.	S	Bend	trans	-69.9	-11.5	-175.7	-63.8	175.6	0	0	0	114.7	R38 T50 L51	R38-L40 PolarHBondContact O-N 3.38Å; L40-T50 CarbonylContact O-C 3.53Å; L40-T50 VanDerWaalsContact O-CA 3.27Å; L40-T50 WeakPolarHBondContact O-CA 3.37Å; L40-T50 WeakPolarHBondContact O-CB 3.49Å; L40-L51 PolarHBondContact O-N 3.49Å
41	S	81.2	Confident	76.7	Confident	69 Å²	69	76.2 Å²	76.2	48%	0.483	44%	0.435	S	S	.	.	B	Isolated β-bridge	trans	-140.5	159.7	178.1	56.3	0	0	0	0	111.5	G39 V49	G39-S41 PolarHBondContact O-N 3.3Å; S41-V49 WeakPolarHBondContact CA-O 3.41Å
42	C	82.1	Confident	75.7	Confident	10 Å²	10	84.6 Å²	84.6	7%	0.068	46%	0.46	C	S	.	.			trans	-71.3	132	174.2	-167.9	0	0	0	0	111.2	N35 N44 C47 V49 L51	N35-C42 PolarHBondContact ND2-SG 3.47Å; N35-C42 VanDerWaalsContact ND2-SG 3.45Å; N35-C42 WeakPolarHBondContact OD1-CA 3.5Å; C42-N44 PolarHBondContact O-N 2.94Å; C42-C47 HydrophobicContact CB-CB 4.44Å; C42-V49 PolarHBondContact N-O 3.4Å; C42-L51 HydrophobicContact CB-CD1 4.37Å
43	K	81.1	Confident	74.1	Confident	165 Å²	165	87.4 Å²	87.4	72%	0.717	47%	0.466	S	S	*	.	S	Bend	trans	-58.6	-26.5	173.6	-76.6	-174.9	170.6	-170.2	0	113.4	N35 K45	N35-K43 WeakPolarHBondContact OD1-CB 3.27Å; N35-K43 WeakPolarHBondContact OD1-CG 3.46Å; N35-K43 PolarHBondContact OD1-N 2.87Å; K43-K45 PolarHBondContact O-N 2.71Å
44	N	80.5	Confident	71.9	Confident	60 Å²	60	89.6 Å²	89.6	32%	0.321	49%	0.489	S	S	.	.			trans	-75.2	103.8	172.1	-178.9	1.9	0	0	0	109.5	V33 C42 A46 C47	V33-N44 HydrophobicContact CG2-CB 4.18Å; C42-N44 PolarHBondContact O-N 2.94Å; N44-A46 PolarHBondContact O-N 3.01Å; N44-A46 WeakPolarHBondContact OD1-CB 3.44Å; N44-A46 PolarHBondContact OD1-N 3.48Å; N44-A46 VanDerWaalsContact OD1-N 3.08Å; N44-C47 HydrophobicContact CB-CB 4.06Å; N44-C47 WeakPolarHBondContact O-CB 3.46Å; N44-C47 PolarHBondContact O-N 3.16Å
45	K	75.9	Confident	69.7	Low	205 Å²	205	89 Å²	89	89%	0.891	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-36.3	179.1	-66.9	-174.4	178.2	-177.6	0	112.8	K43 C47 G48	K43-K45 PolarHBondContact O-N 2.71Å; K45-C47 PolarHBondContact O-N 2.72Å; K45-G48 PolarHBondContact O-N 3.34Å
46	A	71.8	Confident	67.8	Low	99 Å²	99	94 Å²	94	82%	0.818	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-12.2	178.7	0	0	0	0	0	113.9	N44	N44-A46 PolarHBondContact O-N 3.01Å; N44-A46 WeakPolarHBondContact OD1-CB 3.44Å; N44-A46 PolarHBondContact OD1-N 3.48Å; N44-A46 VanDerWaalsContact OD1-N 3.08Å
47	C	78.7	Confident	65.7	Low	32 Å²	32	96.3 Å²	96.3	22%	0.216	57%	0.569	C	S	.	*	T	Hydrogen-bonded Turn	trans	-89.4	-30.9	176.7	178.7	0	0	0	0	112.7	C31 C42 N44 K45 V49	C31-C47 HydrophobicContact CB-CB 4.14Å; C31-C47 VanDerWaalsContact SG-CB 3.57Å; C31-C47 PolarHBondContact SG-SG 2.78Å; C42-C47 HydrophobicContact CB-CB 4.44Å; N44-C47 HydrophobicContact CB-CB 4.06Å; N44-C47 WeakPolarHBondContact O-CB 3.46Å; N44-C47 PolarHBondContact O-N 3.16Å; K45-C47 PolarHBondContact O-N 2.72Å; C47-V49 PolarHBondContact O-N 2.74Å
48	G	67.3	Low	63.8	Low	60 Å²	60	99.4 Å²	99.4	62%	0.619	59%	0.591	S	S	*	*			trans	64.8	-18.1	176.7	0	0	0	0	0	117.6	K45 T50	K45-G48 PolarHBondContact O-N 3.34Å; G48-T50 PolarHBondContact O-N 3.06Å
49	V	75.4	Confident	62.1	Low	44 Å²	44	98.2 Å²	98.2	27%	0.267	59%	0.592	S	S	.	*			trans	-60	130.4	-171	170.2	0	0	0	0	113	Q30 S41 C42 C47 L51	Q30-V49 HydrophobicContact CB-CG2 3.93Å; Q30-V49 HydrophobicContact CG-CG2 3.92Å; S41-V49 WeakPolarHBondContact CA-O 3.41Å; C42-V49 PolarHBondContact N-O 3.4Å; C47-V49 PolarHBondContact O-N 2.74Å; V49-L51 HydrophobicContact CG1-CD2 3.98Å
50	T	70.8	Confident	60.8	Low	108 Å²	108	102.5 Å²	102.5	66%	0.663	62%	0.618	S	S	*	*	B	Isolated β-bridge	trans	-82.7	118.9	169.3	44.6	0	0	0	0	110.7	L40 G48 R52	L40-T50 CarbonylContact O-C 3.53Å; L40-T50 VanDerWaalsContact O-CA 3.27Å; L40-T50 WeakPolarHBondContact O-CA 3.37Å; L40-T50 WeakPolarHBondContact O-CB 3.49Å; G48-T50 PolarHBondContact O-N 3.06Å; T50-R52 VanDerWaalsContact C-N 3.33Å; T50-R52 PolarHBondContact O-N 2.73Å; T50-R52 VanDerWaalsContact O-N 3.14Å
51	L	66.3	Low	59.1	Low	12 Å²	12	100.3 Å²	100.3	6%	0.063	63%	0.626	C	S	.	*			trans	-89.8	72.2	-178.2	-60.8	175.4	0	0	0	109.1	R26 C28 N35 L40 C42 V49	R26-L51 PolarHBondContact NH2-O 3.48Å; C28-L51 HydrophobicContact CB-CD2 4.4Å; N35-L51 HydrophobicContact CB-CD1 3.67Å; L40-L51 PolarHBondContact O-N 3.49Å; C42-L51 HydrophobicContact CB-CD1 4.37Å; V49-L51 HydrophobicContact CG1-CD2 3.98Å
52	R	61	Low	57.2	Low	221 Å²	221	105 Å²	105	83%	0.834	64%	0.638	S	S	*	*			trans	-77.3	134	176.6	-152.5	175	-166.6	170	3.9	109.8	T50 A54	T50-R52 VanDerWaalsContact C-N 3.33Å; T50-R52 PolarHBondContact O-N 2.73Å; T50-R52 VanDerWaalsContact O-N 3.14Å; R52-A54 PolarHBondContact O-N 3.29Å; R52-A54 VanDerWaalsContact O-N 3.12Å
53	D	46.3	Very low	55.3	Low	98 Å²	98	114.3 Å²	114.3	52%	0.524	68%	0.677	S	S	.	*			trans	-66.1	112.6	-174.4	-70.8	-58.5	0	0	0	112.7	R26	R26-D53 IonicContact CZ-OD1 3.92Å; R26-D53 IonicContact NH1-OD1 3.58Å; R26-D53 PolarHBondContact NH1-OD1 3.41Å; R26-D53 IonicContact NH2-OD1 2.82Å
54	A	40.7	Very low	53.8	Low	99 Å²	99	109 Å²	109	82%	0.818	67%	0.669	S	S	*	*			trans	-105.8	59.3	173.9	0	0	0	0	0	110.5	R52 A56	R52-A54 PolarHBondContact O-N 3.29Å; R52-A54 VanDerWaalsContact O-N 3.12Å; A54-A56 PolarHBondContact O-N 2.9Å
55	S	37.6	Very low	53.1	Low	111 Å²	111	107.3 Å²	107.3	78%	0.776	66%	0.664	S	S	*	*			trans	-67.3	116.8	164.7	51.9	0	0	0	0	108.8
56	A	42.1	Very low	53.1	Low	107 Å²	107	98.8 Å²	98.8	88%	0.884	63%	0.628	S	S	*	*	S	Bend	trans	-57.9	143.9	-170.6	0	0	0	0	0	113.4	A54	A54-A56 PolarHBondContact O-N 2.9Å
57	G	36.5	Very low	53.7	Low	77 Å²	77	96.5 Å²	96.5	79%	0.794	60%	0.601	S	S	*	*			trans	166.3	-17.4	174.3	0	0	0	0	0	118.5
58	C	30.1	Very low	54	Low	125 Å²	125	95.6 Å²	95.6	85%	0.845	59%	0.594	S	S	*	*			trans	-127.7	128.6	-176.2	-78.7	0	0	0	0	114.1
59	K	36.2	Very low	55.1	Low	208 Å²	208	93.4 Å²	93.4	90%	0.904	57%	0.569	S	S	*	*	S	Bend	trans	-71.1	135	169	-61.7	174.8	-179.7	177.2	0	110.1	G61	K59-G61 PolarHBondContact O-N 3.05Å
60	S	43.8	Very low	55.7	Low	118 Å²	118	95 Å²	95	83%	0.825	57%	0.57	S	S	*	*			trans	37.9	62.9	165.6	-156	0	0	0	0	116.6	K62	S60-K62 VanDerWaalsContact C-N 3.26Å; S60-K62 PolarHBondContact O-N 3.5Å
61	G	35	Very low	56.6	Low	79 Å²	79	90 Å²	90	81%	0.814	54%	0.539	S	S	*	.			trans	-71.8	73.6	175.5	0	0	0	0	0	113.4	K59	K59-G61 PolarHBondContact O-N 3.05Å
62	K	42.5	Very low	57.5	Low	168 Å²	168	91.6 Å²	91.6	73%	0.73	55%	0.548	S	S	*	.			trans	-3.7	120	170.4	-85.3	172.5	164	-178.4	0	116.5	S60 A65	S60-K62 VanDerWaalsContact C-N 3.26Å; S60-K62 PolarHBondContact O-N 3.5Å; K62-A65 HydrophobicContact CD-CB 4.17Å
63	K	41.5	Very low	58.5	Low	204 Å²	204	83.5 Å²	83.5	89%	0.887	52%	0.523	S	S	*	.	S	Bend	trans	-46.2	145.4	145	-78.4	-178.8	176.7	176.8	0	107.9	A65	K63-A65 PolarHBondContact O-N 3.38Å
64	G	49.3	Very low	59.5	Low	54 Å²	54	83.6 Å²	83.6	56%	0.557	52%	0.523	S	S	*	.	S	Bend	trans	-41	116.7	-175.3	0	0	0	0	0	111.7	V66	G64-V66 PolarHBondContact O-N 3.19Å
65	A	65.5	Low	60.4	Low	25 Å²	25	83.8 Å²	83.8	21%	0.207	52%	0.518	C	S	.	.			trans	-72.6	100.9	-165.3	0	0	0	0	0	109.8	K62 K63 R84	K62-A65 HydrophobicContact CD-CB 4.17Å; K63-A65 PolarHBondContact O-N 3.38Å; A65-R84 WeakPolarHBondContact O-CB 3.38Å; A65-R84 WeakPolarHBondContact O-CG 3.46Å; A65-R84 PolarHBondContact O-N 3.09Å
66	V	77.7	Confident	62	Low	25 Å²	25	82.7 Å²	82.7	15%	0.152	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	139	167.3	176.4	0	0	0	0	107.4	G64 V68 V81 C82 H83 Q154	G64-V66 PolarHBondContact O-N 3.19Å; V66-V68 HydrophobicContact CG1-CG2 3.89Å; V66-V81 HydrophobicContact CG1-CG1 3.79Å; V66-C82 CarbonylContact C-O 3.59Å; V66-C82 WeakPolarHBondContact CA-O 3.3Å; V66-C82 WeakPolarHBondContact CG1-O 3.17Å; V66-H83 HydrophobicContact CG2-CB 4.28Å; V66-Q154 VanDerWaalsContact CB-OE1 3.24Å
67	E	82.8	Confident	63.9	Low	52 Å²	52	80.3 Å²	80.3	24%	0.243	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	117.3	-173.4	174.2	-179.2	159.4	0	0	106.5	C82 R84 S201	E67-C82 HydrophobicContact CB-CB 4.01Å; E67-C82 PolarHBondContact N-O 3.01Å; E67-C82 PolarHBondContact O-N 2.78Å; E67-R84 IonicContact OE2-CZ 2.66Å; E67-R84 IonicContact OE2-NE 3.62Å; E67-R84 IonicContact OE2-NH2 3.89Å; E67-R84 PolarHBondContact OE2-NH2 2.76Å; E67-S201 PolarHBondContact OE1-OG 2.85Å
68	V	86.7	Confident	66.4	Low	13 Å²	13	76.7 Å²	76.7	8%	0.079	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	136.3	-171.4	-169.4	0	0	0	0	110.5	V66 F79 S80 V81 Q154 A155 C158 S160	V66-V68 HydrophobicContact CG1-CG2 3.89Å; V68-F79 HydrophobicContact CG1-CB 3.88Å; V68-F79 HydrophobicContact CG1-CD1 4.14Å; V68-F79 HydrophobicContact CG1-CG 4.39Å; V68-S80 WeakPolarHBondContact CA-O 3.14Å; V68-V81 HydrophobicContact CG1-CG2 3.99Å; V68-V81 HydrophobicContact CG2-CG1 4.32Å; V68-V81 HydrophobicContact CG2-CG2 4.12Å; V68-Q154 HydrophobicContact CG2-CB 3.85Å; V68-A155 HydrophobicContact CG1-CB 4.38Å; V68-C158 HydrophobicContact CB-CB 4.29Å; V68-C158 HydrophobicContact CG1-CB 3.91Å; V68-C158 PolarHBondContact O-SG 3.47Å; V68-C158 VanDerWaalsContact O-SG 3.39Å; V68-S160 PolarHBondContact O-OG 3.02Å
69	V	88.8	Confident	69.1	Low	13 Å²	13	71 Å²	71	8%	0.079	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	123.2	-179.2	-178.1	0	0	0	0	109.6	V71 S80 R161 A162 V200	V69-V71 PolarHBondContact O-N 2.76Å; V69-S80 PolarHBondContact N-O 3.25Å; V69-S80 PolarHBondContact O-N 3.14Å; V69-R161 VanDerWaalsContact CG1-C 3.48Å; V69-A162 HydrophobicContact CG1-CB 4.17Å; V69-A162 VanDerWaalsContact CG1-N 3.35Å; V69-V200 HydrophobicContact CB-CB 4.35Å; V69-V200 HydrophobicContact CG1-CB 4.33Å; V69-V200 HydrophobicContact CG1-CG1 4.29Å; V69-V200 WeakPolarHBondContact CG2-O 3.45Å
70	R	89.1	Confident	71.6	Confident	78 Å²	78	61.1 Å²	61.1	29%	0.294	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	127.6	177	-174.3	174.5	173.1	145.1	2.7	111	E77 F79 S160 R161 A162	R70-E77 IonicContact CZ-OE1 3.57Å; R70-E77 IonicContact NH1-OE1 3.83Å; R70-E77 PolarHBondContact NH1-OE1 3.43Å; R70-E77 IonicContact NH1-OE2 2.71Å; R70-E77 PolarHBondContact NH1-OE2 3.23Å; R70-E77 VanDerWaalsContact NH2-CD 3.32Å; R70-E77 IonicContact NH2-OE1 2.65Å; R70-E77 PolarHBondContact NH2-OE1 2.8Å; R70-F79 HydrophobicContact CB-CD1 3.69Å; R70-F79 HydrophobicContact CB-CE1 3.62Å; R70-F79 HydrophobicContact CB-CZ 4.48Å; R70-F79 HydrophobicContact CG-CD1 4.12Å; R70-F79 HydrophobicContact CG-CE1 3.81Å; R70-F79 HydrophobicContact CG-CZ 4.19Å; R70-S160 VanDerWaalsContact CB-O 3.3Å; R70-S160 WeakPolarHBondContact CB-O 3.31Å; R70-S160 PolarHBondContact N-O 3.07Å; R70-R161 HydrophobicContact CB-CG 4.34Å; R70-R161 CarbonylContact O-C 3.53Å; R70-A162 WeakPolarHBondContact O-CB 3.24Å; R70-A162 PolarHBondContact O-N 3.36Å
71	V	89.8	Confident	73.8	Confident	3 Å²	3	55.5 Å²	55.5	2%	0.018	31%	0.313	C	S	.	.			trans	-74.1	150.8	173.4	168.2	0	0	0	0	109.5	V69 T73 V78 F93 L219	V69-V71 PolarHBondContact O-N 2.76Å; V71-T73 HydrophobicContact CG1-CG2 3.94Å; V71-T73 PolarHBondContact O-N 2.76Å; V71-V78 HydrophobicContact CB-CB 4.03Å; V71-V78 HydrophobicContact CB-CG1 4.1Å; V71-V78 WeakPolarHBondContact CB-O 3.39Å; V71-V78 HydrophobicContact CG1-CB 4.34Å; V71-V78 HydrophobicContact CG1-CG1 4.43Å; V71-V78 HydrophobicContact CG2-CB 4.45Å; V71-V78 HydrophobicContact CG2-CG1 3.97Å; V71-V78 PolarHBondContact N-O 2.84Å; V71-F93 HydrophobicContact CG2-CD1 4.49Å; V71-F93 HydrophobicContact CG2-CE1 4.28Å; V71-L219 HydrophobicContact CG1-CD1 3.89Å
72	I	85	Confident	76.2	Confident	46 Å²	46	51.7 Å²	51.7	24%	0.236	27%	0.274	C	S	.	.			trans	-92.9	86.9	170.8	-57.3	-180	0	0	0	108.6	A162 P164 P195	I72-A162 WeakPolarHBondContact CD1-O 3.44Å; I72-P164 HydrophobicContact CD1-CB 4.26Å; I72-P164 HydrophobicContact CD1-CG 4.04Å; I72-P195 HydrophobicContact CB-CG 4.23Å; I72-P195 HydrophobicContact CG2-CG 4.47Å
73	T	81.5	Confident	78.1	Confident	50 Å²	50	45.7 Å²	45.7	31%	0.307	25%	0.248	S	C	.	.			trans	-105.6	162	165.9	30.4	0	0	0	0	109.5	V71 E76 V78 L219	V71-T73 HydrophobicContact CG1-CG2 3.94Å; V71-T73 PolarHBondContact O-N 2.76Å; T73-E76 PolarHBondContact OG1-O 3.23Å; T73-V78 HydrophobicContact CG2-CG2 4.31Å; T73-L219 HydrophobicContact CG2-CD1 4.25Å
74	D	67.4	Low	79.8	Confident	100 Å²	100	41.6 Å²	41.6	54%	0.535	23%	0.227	S	C	.	.	S	Bend	trans	-88.7	-41.1	-176.4	54.6	4.6	0	0	0	113.5	P193	D74-P193 HydrophobicContact CB-CB 4.3Å; D74-P193 WeakPolarHBondContact OD2-CB 3.16Å; D74-P193 WeakPolarHBondContact OD2-CD 3.45Å; D74-P193 VanDerWaalsContact OD2-CG 3.27Å; D74-P193 WeakPolarHBondContact OD2-CG 3.41Å
75	S	59.1	Low	80.5	Confident	103 Å²	103	42.5 Å²	42.5	72%	0.72	23%	0.225	S	C	*	.	S	Bend	trans	-112	-27.7	-167	-49.3	0	0	0	0	114
76	E	70.7	Confident	79.9	Confident	89 Å²	89	53.6 Å²	53.6	42%	0.416	26%	0.261	S	S	.	.	S	Bend	trans	-119.9	142.9	-174	-65.7	-179.5	171	0	0	112	T73 V78	T73-E76 PolarHBondContact OG1-O 3.23Å; E76-V78 VanDerWaalsContact C-N 3.33Å; E76-V78 HydrophobicContact CB-CG2 3.98Å; E76-V78 PolarHBondContact O-N 2.96Å
77	E	83.3	Confident	78.8	Confident	57 Å²	57	56.4 Å²	56.4	27%	0.266	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	79.2	173.2	-56.3	-145.2	138.8	0	0	110.7	R70 F79 L96	R70-E77 IonicContact CZ-OE1 3.57Å; R70-E77 IonicContact NH1-OE1 3.83Å; R70-E77 PolarHBondContact NH1-OE1 3.43Å; R70-E77 IonicContact NH1-OE2 2.71Å; R70-E77 PolarHBondContact NH1-OE2 3.23Å; R70-E77 VanDerWaalsContact NH2-CD 3.32Å; R70-E77 IonicContact NH2-OE1 2.65Å; R70-E77 PolarHBondContact NH2-OE1 2.8Å; E77-F79 HydrophobicContact CB-CE2 3.81Å; E77-F79 HydrophobicContact CB-CZ 4.4Å; E77-F79 WeakPolarHBondContact O-CD2 3.5Å; E77-F79 WeakPolarHBondContact O-CE2 3.28Å; E77-L96 HydrophobicContact CB-CB 4.19Å; E77-L96 PolarHBondContact O-N 2.89Å
78	V	87.6	Confident	77.9	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.006	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	140.9	177.1	-176.8	0	0	0	0	111	V71 T73 E76 F93 V94 L217 L219	V71-V78 HydrophobicContact CB-CB 4.03Å; V71-V78 HydrophobicContact CB-CG1 4.1Å; V71-V78 WeakPolarHBondContact CB-O 3.39Å; V71-V78 HydrophobicContact CG1-CB 4.34Å; V71-V78 HydrophobicContact CG1-CG1 4.43Å; V71-V78 HydrophobicContact CG2-CB 4.45Å; V71-V78 HydrophobicContact CG2-CG1 3.97Å; V71-V78 PolarHBondContact N-O 2.84Å; T73-V78 HydrophobicContact CG2-CG2 4.31Å; E76-V78 VanDerWaalsContact C-N 3.33Å; E76-V78 HydrophobicContact CB-CG2 3.98Å; E76-V78 PolarHBondContact O-N 2.96Å; V78-F93 HydrophobicContact CG1-CB 4.44Å; V78-F93 HydrophobicContact CG1-CD1 3.91Å; V78-F93 HydrophobicContact CG1-CG 4.48Å; V78-V94 CarbonylContact C-O 3.53Å; V78-V94 WeakPolarHBondContact CA-O 3.42Å; V78-L217 HydrophobicContact CG1-CD1 3.98Å; V78-L217 HydrophobicContact CG2-CD1 4.41Å; V78-L219 HydrophobicContact CG1-CD1 4Å
79	F	88.1	Confident	77.2	Confident	5 Å²	5	59.7 Å²	59.7	2%	0.022	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	130.3	178.9	-60.7	-99.7	0	0	0	110.4	V68 R70 E77 F93 V94 L96 A155 C158	V68-F79 HydrophobicContact CG1-CB 3.88Å; V68-F79 HydrophobicContact CG1-CD1 4.14Å; V68-F79 HydrophobicContact CG1-CG 4.39Å; R70-F79 HydrophobicContact CB-CD1 3.69Å; R70-F79 HydrophobicContact CB-CE1 3.62Å; R70-F79 HydrophobicContact CB-CZ 4.48Å; R70-F79 HydrophobicContact CG-CD1 4.12Å; R70-F79 HydrophobicContact CG-CE1 3.81Å; R70-F79 HydrophobicContact CG-CZ 4.19Å; E77-F79 HydrophobicContact CB-CE2 3.81Å; E77-F79 HydrophobicContact CB-CZ 4.4Å; E77-F79 WeakPolarHBondContact O-CD2 3.5Å; E77-F79 WeakPolarHBondContact O-CE2 3.28Å; F79-F93 CarbonylContact O-C 3.56Å; F79-F93 WeakPolarHBondContact O-CA 3.44Å; F79-V94 HydrophobicContact CB-CB 4.46Å; F79-V94 PolarHBondContact N-O 3.16Å; F79-V94 PolarHBondContact O-N 3.45Å; F79-L96 HydrophobicContact CD2-CD1 4.25Å; F79-L96 HydrophobicContact CD2-CG 4.08Å; F79-L96 HydrophobicContact CE2-CB 4.27Å; F79-L96 HydrophobicContact CE2-CD1 3.53Å; F79-L96 HydrophobicContact CE2-CG 3.71Å; F79-L96 HydrophobicContact CZ-CD1 4.05Å; F79-A155 HydrophobicContact CB-CB 4.14Å; F79-A155 HydrophobicContact CD1-CB 4.29Å; F79-A155 HydrophobicContact CD2-CB 3.93Å; F79-A155 WeakPolarHBondContact CE1-O 3.48Å; F79-A155 HydrophobicContact CE2-CB 4.42Å; F79-A155 HydrophobicContact CG-CB 3.87Å; F79-C158 HydrophobicContact CD1-CB 3.77Å; F79-C158 HydrophobicContact CE1-CB 3.71Å
80	S	89.3	Confident	76.8	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	123.2	169.3	173.4	0	0	0	0	109.3	V68 V69 H221	V68-S80 WeakPolarHBondContact CA-O 3.14Å; V69-S80 PolarHBondContact N-O 3.25Å; V69-S80 PolarHBondContact O-N 3.14Å; S80-H221 PolarHBondContact OG-NE2 3.4Å
81	V	88.4	Confident	76.6	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	121.9	-179.2	-179.7	0	0	0	0	110.3	V66 V68 W91 G92 V94 H151	V66-V81 HydrophobicContact CG1-CG1 3.79Å; V68-V81 HydrophobicContact CG1-CG2 3.99Å; V68-V81 HydrophobicContact CG2-CG1 4.32Å; V68-V81 HydrophobicContact CG2-CG2 4.12Å; V81-W91 CarbonylContact O-C 3.58Å; V81-W91 WeakPolarHBondContact O-CA 3.3Å; V81-G92 PolarHBondContact N-O 3.29Å; V81-G92 PolarHBondContact O-N 3.08Å; V81-V94 HydrophobicContact CG2-CB 4.16Å; V81-V94 HydrophobicContact CG2-CG2 3.71Å; V81-H151 HydrophobicContact CG1-CB 4.16Å
82	C	85.8	Confident	76.4	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	132.9	160.6	154.2	0	0	0	0	109.6	V66 E67 M89 Q90 W91	V66-C82 CarbonylContact C-O 3.59Å; V66-C82 WeakPolarHBondContact CA-O 3.3Å; V66-C82 WeakPolarHBondContact CG1-O 3.17Å; E67-C82 HydrophobicContact CB-CB 4.01Å; E67-C82 PolarHBondContact N-O 3.01Å; E67-C82 PolarHBondContact O-N 2.78Å; C82-M89 HydrophobicContact CB-CE 4.25Å; C82-M89 VanDerWaalsContact SG-CE 3.58Å; C82-Q90 CarbonylContact C-O 3.48Å; C82-Q90 WeakPolarHBondContact CA-O 3.42Å; C82-W91 HydrophobicContact CB-CD2 3.97Å; C82-W91 HydrophobicContact CB-CE3 3.56Å; C82-W91 HydrophobicContact CB-CH2 3.71Å; C82-W91 HydrophobicContact CB-CZ2 4.11Å; C82-W91 HydrophobicContact CB-CZ3 3.42Å; C82-W91 VanDerWaalsContact CB-CZ3 3.42Å
83	H	83.4	Confident	76.6	Confident	41 Å²	41	59.5 Å²	59.5	19%	0.19	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	117.9	166.3	175.5	-78.7	0	0	0	110.4	V66 S85 Q90 L122 H151	V66-H83 HydrophobicContact CG2-CB 4.28Å; H83-S85 PolarHBondContact O-N 3.45Å; H83-Q90 PolarHBondContact N-O 3.44Å; H83-Q90 PolarHBondContact O-N 2.73Å; H83-L122 HydrophobicContact CB-CD2 3.75Å; H83-H151 AromaticContact CD2-NE2 3.34Å; H83-H151 PolarHBondContact CD2-NE2 3.3Å; H83-H151 VanDerWaalsContact CD2-NE2 3.34Å; H83-H151 AromaticContact CG-NE2 3.87Å
84	R	76.8	Confident	76.9	Confident	119 Å²	119	57.1 Å²	57.1	45%	0.449	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	102.8	178	-56.9	-173.3	-166	-147.9	4.1	110.9	A65 E67 M89	A65-R84 WeakPolarHBondContact O-CB 3.38Å; A65-R84 WeakPolarHBondContact O-CG 3.46Å; A65-R84 PolarHBondContact O-N 3.09Å; E67-R84 IonicContact OE2-CZ 2.66Å; E67-R84 IonicContact OE2-NE 3.62Å; E67-R84 IonicContact OE2-NH2 3.89Å; E67-R84 PolarHBondContact OE2-NH2 2.76Å; R84-M89 HydrophobicContact CG-CB 4.45Å; R84-M89 HydrophobicContact CG-CG 4.12Å; R84-M89 HydrophobicContact CG-SD 4.08Å
85	S	64	Low	77.8	Confident	72 Å²	72	52.6 Å²	52.6	50%	0.503	28%	0.282	S	S	.	.			trans	-91.6	-173.1	176.1	-165.3	0	0	0	0	111.8	H83 G87 A88	H83-S85 PolarHBondContact O-N 3.45Å; S85-G87 VanDerWaalsContact C-N 3.27Å; S85-G87 PolarHBondContact O-N 3.05Å; S85-A88 PolarHBondContact N-O 3.33Å
86	R	52.2	Low	79.1	Confident	258 Å²	258	47.8 Å²	47.8	97%	0.974	25%	0.248	S	C	*	.	S	Bend	trans	-67.7	72.1	-176.8	-69.2	-175.2	177.4	179.4	1.4	113.5
87	G	54.7	Low	79.5	Confident	85 Å²	85	46.2 Å²	46.2	88%	0.876	24%	0.244	S	C	*	.	S	Bend	trans	108.5	-0.8	175.1	0	0	0	0	0	115.3	S85	S85-G87 VanDerWaalsContact C-N 3.27Å; S85-G87 PolarHBondContact O-N 3.05Å
88	A	63.9	Low	78.9	Confident	57 Å²	57	46.6 Å²	46.6	47%	0.471	25%	0.252	S	S	.	.			trans	-138.5	140.7	177.3	0	0	0	0	0	111.4	S85	S85-A88 PolarHBondContact N-O 3.33Å
89	M	73.2	Confident	77.9	Confident	77 Å²	77	48.7 Å²	48.7	38%	0.379	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	116.4	173	179.3	155.5	158	0	0	107.4	C82 R84 W91	C82-M89 HydrophobicContact CB-CE 4.25Å; C82-M89 VanDerWaalsContact SG-CE 3.58Å; R84-M89 HydrophobicContact CG-CB 4.45Å; R84-M89 HydrophobicContact CG-CG 4.12Å; R84-M89 HydrophobicContact CG-SD 4.08Å; M89-W91 HydrophobicContact CE-CH2 4.07Å; M89-W91 HydrophobicContact CE-CZ2 3.31Å
90	Q	79.9	Confident	76.7	Confident	72 Å²	72	52.2 Å²	52.2	34%	0.336	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	138.8	179.3	-72.9	-176.3	-30	0	0	110.1	C82 H83 L122 S124	C82-Q90 CarbonylContact C-O 3.48Å; C82-Q90 WeakPolarHBondContact CA-O 3.42Å; H83-Q90 PolarHBondContact N-O 3.44Å; H83-Q90 PolarHBondContact O-N 2.73Å; Q90-L122 HydrophobicContact CB-CD1 4.41Å; Q90-S124 PolarHBondContact OE1-OG 3.21Å
91	W	84	Confident	75.4	Confident	41 Å²	41	54.2 Å²	54.2	16%	0.155	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	154.8	172.3	-65.4	101.5	0	0	0	110.5	V81 C82 M89 V200 T204 H221	V81-W91 CarbonylContact O-C 3.58Å; V81-W91 WeakPolarHBondContact O-CA 3.3Å; C82-W91 HydrophobicContact CB-CD2 3.97Å; C82-W91 HydrophobicContact CB-CE3 3.56Å; C82-W91 HydrophobicContact CB-CH2 3.71Å; C82-W91 HydrophobicContact CB-CZ2 4.11Å; C82-W91 HydrophobicContact CB-CZ3 3.42Å; C82-W91 VanDerWaalsContact CB-CZ3 3.42Å; M89-W91 HydrophobicContact CE-CH2 4.07Å; M89-W91 HydrophobicContact CE-CZ2 3.31Å; W91-V200 HydrophobicContact CH2-CG2 4.49Å; W91-V200 HydrophobicContact CZ3-CG2 4.37Å; W91-T204 HydrophobicContact CD2-CG2 4.14Å; W91-T204 HydrophobicContact CH2-CG2 4.19Å; W91-T204 HydrophobicContact CZ2-CG2 3.7Å; W91-T204 VanDerWaalsContact CZ2-OG1 3.24Å; W91-T204 WeakPolarHBondContact CZ2-OG1 3.35Å; W91-H221 HydrophobicContact CB-CB 4.23Å; W91-H221 AromaticContact CE3-CD2 3.99Å
92	G	85.9	Confident	74	Confident	5 Å²	5	57.3 Å²	57.3	5%	0.052	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.1	-177	173.4	0	0	0	0	0	110	V81 H221	V81-G92 PolarHBondContact N-O 3.29Å; V81-G92 PolarHBondContact O-N 3.08Å; G92-H221 PolarHBondContact O-CE1 2.74Å
93	F	88.9	Confident	72.8	Confident	18 Å²	18	61.5 Å²	61.5	8%	0.079	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	152.2	-179	-63.2	-78	0	0	0	112.2	V71 V78 F79 F121 V206 L217 L219 H221	V71-F93 HydrophobicContact CG2-CD1 4.49Å; V71-F93 HydrophobicContact CG2-CE1 4.28Å; V78-F93 HydrophobicContact CG1-CB 4.44Å; V78-F93 HydrophobicContact CG1-CD1 3.91Å; V78-F93 HydrophobicContact CG1-CG 4.48Å; F79-F93 CarbonylContact O-C 3.56Å; F79-F93 WeakPolarHBondContact O-CA 3.44Å; F93-F121 HydrophobicContact CB-CD2 4.42Å; F93-F121 PolarHBondContact O-N 2.95Å; F93-V206 HydrophobicContact CE1-CG1 4.08Å; F93-V206 HydrophobicContact CE1-CG2 3.98Å; F93-V206 HydrophobicContact CZ-CG1 4.07Å; F93-V206 HydrophobicContact CZ-CG2 4.14Å; F93-L217 HydrophobicContact CB-CD1 3.62Å; F93-L217 HydrophobicContact CG-CD1 4.13Å; F93-L219 HydrophobicContact CE1-CB 4.11Å; F93-L219 HydrophobicContact CE2-CB 4.04Å; F93-L219 VanDerWaalsContact CE2-O 3.26Å; F93-L219 WeakPolarHBondContact CE2-O 3.5Å; F93-L219 HydrophobicContact CZ-CB 3.67Å; F93-H221 AromaticContact CD2-CE1 3.87Å; F93-H221 AromaticContact CE1-CE1 3.55Å; F93-H221 AromaticContact CE1-NE2 3.75Å; F93-H221 AromaticContact CE2-CE1 3.39Å; F93-H221 WeakPolarHBondContact CE2-CE1 3.5Å; F93-H221 AromaticContact CE2-ND1 3.65Å; F93-H221 AromaticContact CZ-CE1 3.21Å; F93-H221 WeakPolarHBondContact CZ-CE1 3.41Å; F93-H221 AromaticContact CZ-ND1 3.66Å; F93-H221 AromaticContact CZ-NE2 3.71Å
94	V	87.5	Confident	71.5	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	131	163.2	168.1	0	0	0	0	107.4	V78 F79 V81 L96 R119 C120 H151 I152 A155	V78-V94 CarbonylContact C-O 3.53Å; V78-V94 WeakPolarHBondContact CA-O 3.42Å; F79-V94 HydrophobicContact CB-CB 4.46Å; F79-V94 PolarHBondContact N-O 3.16Å; F79-V94 PolarHBondContact O-N 3.45Å; V81-V94 HydrophobicContact CG2-CB 4.16Å; V81-V94 HydrophobicContact CG2-CG2 3.71Å; V94-L96 HydrophobicContact CG1-CD2 3.75Å; V94-L96 HydrophobicContact CG1-CG 4.32Å; V94-R119 VanDerWaalsContact CA-O 3.28Å; V94-R119 WeakPolarHBondContact CA-O 3.28Å; V94-R119 WeakPolarHBondContact CG1-O 3.46Å; V94-C120 HydrophobicContact CG2-CB 4.07Å; V94-H151 HydrophobicContact CG2-CB 3.94Å; V94-I152 HydrophobicContact CG1-CG1 4.06Å; V94-A155 HydrophobicContact CB-CB 4.14Å; V94-A155 HydrophobicContact CG1-CB 3.61Å
95	E	88.1	Confident	70.6	Confident	4 Å²	4	60.1 Å²	60.1	2%	0.019	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	124.5	175.2	169.8	-153.9	149.4	0	0	106	V97 G118 R119 F121 L217	E95-V97 HydrophobicContact CG-CG2 4.33Å; E95-V97 WeakPolarHBondContact OE1-CG2 3.45Å; E95-G118 CarbonylContact O-C 3.59Å; E95-G118 VanDerWaalsContact O-CA 3.31Å; E95-G118 WeakPolarHBondContact O-CA 3.4Å; E95-R119 HydrophobicContact CB-CB 4.28Å; E95-R119 VanDerWaalsContact CD-CD 3.45Å; E95-R119 PolarHBondContact N-O 3.44Å; E95-R119 PolarHBondContact O-N 2.81Å; E95-R119 VanDerWaalsContact OE1-CD 3.27Å; E95-R119 WeakPolarHBondContact OE1-CD 3.46Å; E95-R119 IonicContact OE1-CZ 2.71Å; E95-R119 IonicContact OE1-NE 3.49Å; E95-R119 IonicContact OE1-NH1 3.09Å; E95-R119 PolarHBondContact OE1-NH1 2.8Å; E95-R119 WeakPolarHBondContact OE2-CD 3.48Å; E95-R119 IonicContact OE2-NH1 3.87Å; E95-F121 HydrophobicContact CB-CE2 3.87Å; E95-F121 VanDerWaalsContact OE2-CE2 3.26Å; E95-F121 WeakPolarHBondContact OE2-CE2 3.47Å; E95-F121 VanDerWaalsContact OE2-CZ 3.3Å; E95-F121 WeakPolarHBondContact OE2-CZ 2.94Å; E95-L217 HydrophobicContact CB-CD2 4.35Å; E95-L217 HydrophobicContact CG-CD2 4.35Å
96	L	85	Confident	70	Confident	2 Å²	2	60.6 Å²	60.6	1%	0.01	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	120	170.6	-56.2	-175.3	0	0	0	109.1	E77 F79 V94 P98 I152 A155 I156	E77-L96 HydrophobicContact CB-CB 4.19Å; E77-L96 PolarHBondContact O-N 2.89Å; F79-L96 HydrophobicContact CD2-CD1 4.25Å; F79-L96 HydrophobicContact CD2-CG 4.08Å; F79-L96 HydrophobicContact CE2-CB 4.27Å; F79-L96 HydrophobicContact CE2-CD1 3.53Å; F79-L96 HydrophobicContact CE2-CG 3.71Å; F79-L96 HydrophobicContact CZ-CD1 4.05Å; V94-L96 HydrophobicContact CG1-CD2 3.75Å; V94-L96 HydrophobicContact CG1-CG 4.32Å; L96-P98 WeakPolarHBondContact O-CD 3.18Å; L96-I152 HydrophobicContact CD2-CG2 3.97Å; L96-A155 HydrophobicContact CD1-CB 4.19Å; L96-A155 HydrophobicContact CD2-CB 4.35Å; L96-A155 HydrophobicContact CG-CB 4.38Å; L96-I156 HydrophobicContact CD1-CB 4.48Å; L96-I156 HydrophobicContact CD1-CG1 3.67Å; L96-I156 HydrophobicContact CD2-CG1 4.26Å
97	V	80.3	Confident	70.2	Confident	57 Å²	57	55.5 Å²	55.5	35%	0.345	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	106.6	170.1	-175.7	0	0	0	0	107.9	E95 T99 L117	E95-V97 HydrophobicContact CG-CG2 4.33Å; E95-V97 WeakPolarHBondContact OE1-CG2 3.45Å; V97-T99 PolarHBondContact O-N 3.09Å; V97-L117 PolarHBondContact N-O 2.96Å; V97-L117 PolarHBondContact O-N 2.82Å
98	P	69.7	Low	70.2	Confident	64 Å²	64	54.9 Å²	54.9	42%	0.416	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	109.8	175.9	28.7	-32.8	0	0	0	109.3	L96	L96-P98 WeakPolarHBondContact O-CD 3.18Å
99	T	66.3	Low	69.8	Low	45 Å²	45	54.7 Å²	54.7	28%	0.276	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	120.9	179.7	-53.7	0	0	0	0	110	V97 T101 I115	V97-T99 PolarHBondContact O-N 3.09Å; T99-T101 HydrophobicContact CG2-CG2 4.11Å; T99-T101 PolarHBondContact O-N 3.42Å; T99-I115 PolarHBondContact N-O 2.8Å; T99-I115 PolarHBondContact O-N 2.89Å
100	D	63.4	Low	69.2	Low	79 Å²	79	55.5 Å²	55.5	42%	0.422	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	108	172.3	-78.8	-46.8	0	0	0	109.6	R114	D100-R114 WeakPolarHBondContact OD1-CD 3.38Å; D100-R114 WeakPolarHBondContact OD1-CG 3.34Å; D100-R114 IonicContact OD1-CZ 3.51Å; D100-R114 IonicContact OD1-NE 3.46Å; D100-R114 PolarHBondContact OD1-NE 3.39Å; D100-R114 IonicContact OD1-NH2 3.69Å; D100-R114 IonicContact OD2-CZ 2.71Å; D100-R114 IonicContact OD2-NE 2.72Å; D100-R114 PolarHBondContact OD2-NE 2.89Å; D100-R114 IonicContact OD2-NH2 3.34Å; D100-R114 PolarHBondContact OD2-NH2 2.71Å
101	T	61.5	Low	68	Low	42 Å²	42	57 Å²	57	26%	0.258	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	126.5	177.5	50.5	0	0	0	0	111.7	T99 I103 T113 I115	T99-T101 HydrophobicContact CG2-CG2 4.11Å; T99-T101 PolarHBondContact O-N 3.42Å; T101-I103 PolarHBondContact O-N 3Å; T101-T113 PolarHBondContact N-O 3.07Å; T101-T113 PolarHBondContact O-N 3.38Å; T101-T113 PolarHBondContact OG1-O 2.87Å; T101-I115 HydrophobicContact CG2-CD1 3.56Å; T101-I115 HydrophobicContact CG2-CG1 3.83Å
102	A	58.6	Low	66.5	Low	65 Å²	65	61.1 Å²	61.1	54%	0.537	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	102.3	176.8	0	0	0	0	0	110.3	T110 L112	A102-T110 HydrophobicContact CB-CG2 4.32Å; A102-L112 HydrophobicContact CB-CD1 4.07Å
103	I	62.3	Low	65.2	Low	89 Å²	89	63.4 Å²	63.4	46%	0.456	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	118.2	175.8	-55.3	-179.2	0	0	0	108.3	T101 T105 T110 L111 T113	T101-I103 PolarHBondContact O-N 3Å; I103-T105 PolarHBondContact O-N 3Å; I103-T110 CarbonylContact O-C 3.58Å; I103-T110 WeakPolarHBondContact O-CA 3.37Å; I103-L111 PolarHBondContact N-O 2.8Å; I103-L111 PolarHBondContact O-N 3.18Å; I103-T113 HydrophobicContact CD1-CG2 4.24Å
104	A	55.3	Low	63.7	Low	82 Å²	82	70.9 Å²	70.9	68%	0.678	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	110.7	173.2	0	0	0	0	0	110	T110	A104-T110 HydrophobicContact CB-CG2 4.31Å
105	T	57.4	Low	62.6	Low	49 Å²	49	73.6 Å²	73.6	30%	0.301	46%	0.458	S	S	.	.			trans	-76.2	147.3	171.5	-40.5	0	0	0	0	109.2	I103 D107 G108 A109	I103-T105 PolarHBondContact O-N 3Å; T105-D107 PolarHBondContact O-N 2.87Å; T105-G108 PolarHBondContact O-N 2.91Å; T105-A109 WeakPolarHBondContact CB-O 3.3Å; T105-A109 PolarHBondContact N-O 3Å; T105-A109 PolarHBondContact OG1-O 3.43Å
106	G	51.4	Low	61.5	Low	82 Å²	82	75.7 Å²	75.7	85%	0.845	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-25.4	-176.2	0	0	0	0	0	114.9	G108	G106-G108 PolarHBondContact O-N 2.89Å
107	D	56.7	Low	60.7	Low	151 Å²	151	79.8 Å²	79.8	81%	0.807	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	14.6	178.6	-46.8	-64.5	0	0	0	113.8	T105 A109	T105-D107 PolarHBondContact O-N 2.87Å; D107-A109 VanDerWaalsContact C-N 3.31Å; D107-A109 PolarHBondContact O-N 3.35Å
108	G	55.7	Low	60.5	Low	71 Å²	71	77.2 Å²	77.2	73%	0.732	48%	0.476	S	S	*	.	S	Bend	trans	82.2	-2.4	177.6	0	0	0	0	0	115.5	T105 G106	T105-G108 PolarHBondContact O-N 2.91Å; G106-G108 PolarHBondContact O-N 2.89Å
109	A	54.9	Low	61.1	Low	54 Å²	54	80.1 Å²	80.1	45%	0.446	48%	0.478	S	S	.	.			trans	-86.8	117.1	176.9	0	0	0	0	0	112	T105 D107 L111	T105-A109 WeakPolarHBondContact CB-O 3.3Å; T105-A109 PolarHBondContact N-O 3Å; T105-A109 PolarHBondContact OG1-O 3.43Å; D107-A109 VanDerWaalsContact C-N 3.31Å; D107-A109 PolarHBondContact O-N 3.35Å; A109-L111 PolarHBondContact O-N 3Å
110	T	60	Low	62	Low	94 Å²	94	78.4 Å²	78.4	58%	0.577	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	113.1	171.7	17.5	0	0	0	0	111.4	A102 I103 A104	A102-T110 HydrophobicContact CB-CG2 4.32Å; I103-T110 CarbonylContact O-C 3.58Å; I103-T110 WeakPolarHBondContact O-CA 3.37Å; A104-T110 HydrophobicContact CB-CG2 4.31Å
111	L	54.8	Low	62.8	Low	103 Å²	103	78 Å²	78	54%	0.539	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	107.6	174.4	-70.6	174.2	0	0	0	110.2	I103 A109 T113	I103-L111 PolarHBondContact N-O 2.8Å; I103-L111 PolarHBondContact O-N 3.18Å; A109-L111 PolarHBondContact O-N 3Å; L111-T113 PolarHBondContact O-N 3.09Å; L111-T113 VanDerWaalsContact O-N 3.1Å; L111-T113 PolarHBondContact O-OG1 3.12Å
112	L	52.6	Low	63.8	Low	128 Å²	128	76.2 Å²	76.2	67%	0.67	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.6	110.1	165.2	-96.6	74.6	0	0	0	109.1	A102	A102-L112 HydrophobicContact CB-CD1 4.07Å
113	T	58.7	Low	64.6	Low	53 Å²	53	77.9 Å²	77.9	33%	0.325	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	120.6	-178.7	-53.9	0	0	0	0	108.6	T101 I103 L111 I115	T101-T113 PolarHBondContact N-O 3.07Å; T101-T113 PolarHBondContact O-N 3.38Å; T101-T113 PolarHBondContact OG1-O 2.87Å; I103-T113 HydrophobicContact CD1-CG2 4.24Å; L111-T113 PolarHBondContact O-N 3.09Å; L111-T113 VanDerWaalsContact O-N 3.1Å; L111-T113 PolarHBondContact O-OG1 3.12Å; T113-I115 PolarHBondContact O-N 2.91Å
114	R	56.6	Low	65.3	Low	175 Å²	175	76.2 Å²	76.2	66%	0.66	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	114.8	173.4	-81.5	-176	173.5	-175.9	-7	110.5	D100	D100-R114 WeakPolarHBondContact OD1-CD 3.38Å; D100-R114 WeakPolarHBondContact OD1-CG 3.34Å; D100-R114 IonicContact OD1-CZ 3.51Å; D100-R114 IonicContact OD1-NE 3.46Å; D100-R114 PolarHBondContact OD1-NE 3.39Å; D100-R114 IonicContact OD1-NH2 3.69Å; D100-R114 IonicContact OD2-CZ 2.71Å; D100-R114 IonicContact OD2-NE 2.72Å; D100-R114 PolarHBondContact OD2-NE 2.89Å; D100-R114 IonicContact OD2-NH2 3.34Å; D100-R114 PolarHBondContact OD2-NH2 2.71Å
115	I	64.9	Low	66.5	Low	56 Å²	56	72.7 Å²	72.7	29%	0.287	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	129.1	169.2	63.5	172.5	0	0	0	109.4	T99 T101 T113 L117	T99-I115 PolarHBondContact N-O 2.8Å; T99-I115 PolarHBondContact O-N 2.89Å; T101-I115 HydrophobicContact CG2-CD1 3.56Å; T101-I115 HydrophobicContact CG2-CG1 3.83Å; T113-I115 PolarHBondContact O-N 2.91Å; I115-L117 HydrophobicContact CD1-CD2 4.25Å; I115-L117 HydrophobicContact CD1-CG 4.48Å; I115-L117 PolarHBondContact O-N 2.96Å
116	N	65.1	Low	67	Low	49 Å²	49	80.2 Å²	80.2	26%	0.262	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	98.3	177.3	-70	-21.9	0	0	0	109	G118 I156	N116-G118 PolarHBondContact O-N 3.21Å; N116-G118 VanDerWaalsContact O-N 3.09Å; N116-I156 HydrophobicContact CB-CD1 4.14Å; N116-I156 HydrophobicContact CB-CG1 4.21Å
117	L	68.4	Low	67.7	Low	87 Å²	87	80.5 Å²	80.5	46%	0.455	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	97.5	172.8	-67.5	-179	0	0	0	108.4	V97 I115	V97-L117 PolarHBondContact N-O 2.96Å; V97-L117 PolarHBondContact O-N 2.82Å; I115-L117 HydrophobicContact CD1-CD2 4.25Å; I115-L117 HydrophobicContact CD1-CG 4.48Å; I115-L117 PolarHBondContact O-N 2.96Å
118	G	76.3	Confident	67.8	Low	4 Å²	4	73.3 Å²	73.3	4%	0.041	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	124.4	-175.6	0	0	0	0	0	113.6	E95 N116 I152	E95-G118 CarbonylContact O-C 3.59Å; E95-G118 VanDerWaalsContact O-CA 3.31Å; E95-G118 WeakPolarHBondContact O-CA 3.4Å; N116-G118 PolarHBondContact O-N 3.21Å; N116-G118 VanDerWaalsContact O-N 3.09Å; G118-I152 WeakPolarHBondContact O-CD1 3.33Å
119	R	82.4	Confident	67.8	Low	124 Å²	124	75.2 Å²	75.2	47%	0.468	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	142.3	166.6	-72.2	160.3	169.5	174.8	-4.7	109.6	V94 E95 F121	V94-R119 VanDerWaalsContact CA-O 3.28Å; V94-R119 WeakPolarHBondContact CA-O 3.28Å; V94-R119 WeakPolarHBondContact CG1-O 3.46Å; E95-R119 HydrophobicContact CB-CB 4.28Å; E95-R119 VanDerWaalsContact CD-CD 3.45Å; E95-R119 PolarHBondContact N-O 3.44Å; E95-R119 PolarHBondContact O-N 2.81Å; E95-R119 VanDerWaalsContact OE1-CD 3.27Å; E95-R119 WeakPolarHBondContact OE1-CD 3.46Å; E95-R119 IonicContact OE1-CZ 2.71Å; E95-R119 IonicContact OE1-NE 3.49Å; E95-R119 IonicContact OE1-NH1 3.09Å; E95-R119 PolarHBondContact OE1-NH1 2.8Å; E95-R119 WeakPolarHBondContact OE2-CD 3.48Å; E95-R119 IonicContact OE2-NH1 3.87Å; R119-F121 HydrophobicContact CB-CE2 3.87Å; R119-F121 HydrophobicContact CB-CZ 4Å
120	C	84.1	Confident	67.7	Low	9 Å²	9	81.8 Å²	81.8	6%	0.061	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	103.6	-174.1	175.4	0	0	0	0	111.4	V94 L122 C125 I152	V94-C120 HydrophobicContact CG2-CB 4.07Å; C120-L122 VanDerWaalsContact C-N 3.3Å; C120-L122 PolarHBondContact O-N 3.39Å; C120-C125 VanDerWaalsContact SG-SG 3.61Å; C120-I152 HydrophobicContact CB-CD1 3.99Å; C120-I152 HydrophobicContact CB-CG1 4.02Å
121	F	80.9	Confident	67.3	Low	71 Å²	71	80.1 Å²	80.1	31%	0.311	38%	0.383	S	S	.	.			trans	-91.5	30	-176.8	-54	-84.5	0	0	0	113	F93 E95 R119 P216 L217	F93-F121 HydrophobicContact CB-CD2 4.42Å; F93-F121 PolarHBondContact O-N 2.95Å; E95-F121 HydrophobicContact CB-CE2 3.87Å; E95-F121 VanDerWaalsContact OE2-CE2 3.26Å; E95-F121 WeakPolarHBondContact OE2-CE2 3.47Å; E95-F121 VanDerWaalsContact OE2-CZ 3.3Å; E95-F121 WeakPolarHBondContact OE2-CZ 2.94Å; R119-F121 HydrophobicContact CB-CE2 3.87Å; R119-F121 HydrophobicContact CB-CZ 4Å; F121-P216 HydrophobicContact CD1-CG 4.15Å; F121-P216 HydrophobicContact CE1-CG 3.76Å; F121-P216 HydrophobicContact CZ-CG 4.32Å; F121-L217 HydrophobicContact CD2-CD1 3.87Å; F121-L217 HydrophobicContact CD2-CG 4.47Å; F121-L217 HydrophobicContact CE2-CD1 3.86Å; F121-L217 HydrophobicContact CE2-CD2 4.19Å; F121-L217 HydrophobicContact CE2-CG 4.14Å
122	L	82.8	Confident	67	Low	4 Å²	4	78.6 Å²	78.6	2%	0.021	38%	0.381	C	S	.	.			trans	-89.7	120.7	176.6	-175	76.8	0	0	0	110.3	H83 Q90 C120 S124 C125 H151	H83-L122 HydrophobicContact CB-CD2 3.75Å; Q90-L122 HydrophobicContact CB-CD1 4.41Å; C120-L122 VanDerWaalsContact C-N 3.3Å; C120-L122 PolarHBondContact O-N 3.39Å; L122-S124 PolarHBondContact O-N 3.41Å; L122-C125 HydrophobicContact CB-CB 4.1Å; L122-C125 HydrophobicContact CD2-CB 4.49Å; L122-C125 VanDerWaalsContact O-CB 3.31Å; L122-C125 WeakPolarHBondContact O-CB 3.14Å; L122-C125 PolarHBondContact O-N 3.4Å; L122-H151 WeakPolarHBondContact CD2-CE1 3.26Å
123	P	75.2	Confident	66.8	Low	100 Å²	100	81.1 Å²	81.1	65%	0.649	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-12.7	-173	-27.8	36.2	0	0	0	117.2
124	S	77.6	Confident	66.1	Low	54 Å²	54	87.4 Å²	87.4	38%	0.378	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-1.6	172.6	40.4	0	0	0	0	113.9	Q90 L122 R126	Q90-S124 PolarHBondContact OE1-OG 3.21Å; L122-S124 PolarHBondContact O-N 3.41Å; S124-R126 PolarHBondContact O-N 2.85Å
125	C	79.6	Confident	65.2	Low	8 Å²	8	86.2 Å²	86.2	5%	0.054	41%	0.406	C	S	.	.			trans	-96.5	80.2	-173	-163.6	0	0	0	0	113.1	C120 L122 Q127 G128 E129 H151	C120-C125 VanDerWaalsContact SG-SG 3.61Å; L122-C125 HydrophobicContact CB-CB 4.1Å; L122-C125 HydrophobicContact CD2-CB 4.49Å; L122-C125 VanDerWaalsContact O-CB 3.31Å; L122-C125 WeakPolarHBondContact O-CB 3.14Å; L122-C125 PolarHBondContact O-N 3.4Å; C125-Q127 PolarHBondContact O-N 3.32Å; C125-G128 WeakPolarHBondContact O-CA 3.25Å; C125-G128 PolarHBondContact O-N 3.08Å; C125-E129 PolarHBondContact O-N 3.48Å; C125-H151 PolarHBondContact SG-ND1 3.38Å
126	R	67.9	Low	63.8	Low	207 Å²	207	88.7 Å²	88.7	78%	0.781	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-18.2	174.9	-67.4	-173.5	174.8	-146.6	-4	115.7	S124 E129	S124-R126 PolarHBondContact O-N 2.85Å; R126-E129 WeakPolarHBondContact CA-OE2 3.28Å
127	Q	66.6	Low	62.3	Low	88 Å²	88	93.7 Å²	93.7	41%	0.411	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-27	174.9	-167.2	68.6	-0.1	0	0	112.2	C125 S147 C149	C125-Q127 PolarHBondContact O-N 3.32Å; Q127-S147 PolarHBondContact NE2-O 3.45Å; Q127-C149 HydrophobicContact CB-CB 3.82Å; Q127-C149 HydrophobicContact CG-CB 3.92Å
128	G	59.4	Low	60.6	Low	1 Å²	1	93.6 Å²	93.6	1%	0.01	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-45.9	173.8	0	0	0	0	0	112.2	C125 R130 S131 S132	C125-G128 WeakPolarHBondContact O-CA 3.25Å; C125-G128 PolarHBondContact O-N 3.08Å; G128-R130 PolarHBondContact O-N 3.14Å; G128-R130 VanDerWaalsContact O-N 3.12Å; G128-S131 WeakPolarHBondContact O-CA 3.34Å; G128-S131 WeakPolarHBondContact O-CB 3.37Å; G128-S131 PolarHBondContact O-N 3.42Å; G128-S132 PolarHBondContact O-N 3Å; G128-S132 VanDerWaalsContact O-N 3.08Å
129	E	55.7	Low	58.9	Low	111 Å²	111	98.7 Å²	98.7	52%	0.519	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-28.9	177.7	-59.8	176.2	127.3	0	0	113.4	C125 R126 S132	C125-E129 PolarHBondContact O-N 3.48Å; R126-E129 WeakPolarHBondContact CA-OE2 3.28Å; E129-S132 PolarHBondContact O-OG 3.07Å
130	R	52.8	Low	56.7	Low	191 Å²	191	97.8 Å²	97.8	72%	0.721	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-19.2	175.6	-74.9	-179.3	165.6	-162.9	-7.1	113.8	G128	G128-R130 PolarHBondContact O-N 3.14Å; G128-R130 VanDerWaalsContact O-N 3.12Å
131	S	51.6	Low	54.4	Low	59 Å²	59	102.9 Å²	102.9	41%	0.413	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-25.2	177.6	-157.2	0	0	0	0	112.3	G128	G128-S131 WeakPolarHBondContact O-CA 3.34Å; G128-S131 WeakPolarHBondContact O-CB 3.37Å; G128-S131 PolarHBondContact O-N 3.42Å
132	S	48.5	Very low	52.3	Low	71 Å²	71	107.6 Å²	107.6	50%	0.497	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.4	-4	176.7	62.7	0	0	0	0	114.5	G128 E129	G128-S132 PolarHBondContact O-N 3Å; G128-S132 VanDerWaalsContact O-N 3.08Å; E129-S132 PolarHBondContact O-OG 3.07Å
133	K	47	Very low	50.2	Low	182 Å²	182	111.3 Å²	111.3	79%	0.791	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.3	17.1	-179.9	-88.3	-162.9	170.8	-167.5	0	114.2
134	R	45.7	Very low	48.5	Very low	184 Å²	184	110.5 Å²	110.5	69%	0.694	59%	0.588	S	S	*	*			trans	-90.3	102.1	170.1	-72.2	-172	176.4	-160	-3.3	109.3
135	E	36	Very low	47	Very low	150 Å²	150	112.5 Å²	112.5	70%	0.701	60%	0.602	S	S	*	*			trans	-58.8	150.5	157.5	-65.1	-55.1	137.4	0	0	109.7	D137	E135-D137 VanDerWaalsContact C-N 3.3Å; E135-D137 PolarHBondContact O-N 2.91Å
136	P	37.3	Very low	45.5	Very low	108 Å²	108	118.6 Å²	118.6	70%	0.701	64%	0.635	S	S	*	*	S	Bend	trans	-70.3	-20.1	-171.7	27.2	-34.9	0	0	0	114.6	S138	P136-S138 PolarHBondContact O-N 3.49Å
137	D	31.8	Very low	45.4	Very low	155 Å²	155	111.8 Å²	111.8	83%	0.829	62%	0.619	S	S	*	*			trans	-80.7	49.3	-165.6	-63.8	-20.7	0	0	0	114.7	E135	E135-D137 VanDerWaalsContact C-N 3.3Å; E135-D137 PolarHBondContact O-N 2.91Å
138	S	33.4	Very low	45.8	Very low	84 Å²	84	110 Å²	110	59%	0.587	61%	0.612	S	S	*	*			trans	-146.4	67.7	173.1	49.5	0	0	0	0	113.6	P136 S140	P136-S138 PolarHBondContact O-N 3.49Å; S138-S140 VanDerWaalsContact C-N 3.34Å; S138-S140 PolarHBondContact O-N 2.71Å
139	A	40.1	Very low	46.9	Very low	111 Å²	111	110.4 Å²	110.4	92%	0.917	61%	0.614	S	S	*	*			trans	-72.3	75.4	176.6	0	0	0	0	0	113.2
140	S	37	Very low	48.3	Very low	106 Å²	106	108.8 Å²	108.8	74%	0.741	61%	0.612	S	S	*	*			trans	-158.5	23.3	173.6	59.2	0	0	0	0	116.5	S138	S138-S140 VanDerWaalsContact C-N 3.34Å; S138-S140 PolarHBondContact O-N 2.71Å
141	T	34.7	Very low	49.9	Very low	115 Å²	115	100.1 Å²	100.1	71%	0.706	58%	0.579	S	S	*	*			trans	-151.6	117.1	168.3	-47.9	0	0	0	0	113.2
142	E	37.3	Very low	51.5	Low	170 Å²	170	97.5 Å²	97.5	79%	0.794	56%	0.561	S	S	*	*			trans	-51.1	129.6	172.6	-75	-62.2	121.4	0	0	112.7	S144	E142-S144 PolarHBondContact O-N 2.69Å
143	P	38.7	Very low	53.1	Low	83 Å²	83	97.8 Å²	97.8	54%	0.539	55%	0.553	S	S	.	*			trans	-78.6	81.2	-177.5	32.2	-35	0	0	0	111.7	S145	P143-S145 PolarHBondContact O-N 3.43Å
144	S	39.1	Very low	54.9	Low	82 Å²	82	92.1 Å²	92.1	57%	0.573	53%	0.529	S	S	*	.			trans	-60.3	122.7	178.4	61.5	0	0	0	0	112.4	E142 D146 S147	E142-S144 PolarHBondContact O-N 2.69Å; S144-D146 PolarHBondContact O-N 2.73Å; S144-D146 VanDerWaalsContact O-N 3.1Å; S144-S147 WeakPolarHBondContact O-CB 3.45Å; S144-S147 PolarHBondContact O-N 2.83Å; S144-S147 VanDerWaalsContact O-N 3.1Å; S144-S147 PolarHBondContact O-OG 2.8Å
145	S	47.6	Very low	56.8	Low	96 Å²	96	83.4 Å²	83.4	67%	0.671	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-64	-16.4	-172.1	52.9	0	0	0	0	114.4	P143 S147	P143-S145 PolarHBondContact O-N 3.43Å; S145-S147 PolarHBondContact O-N 3.48Å
146	D	48	Very low	59.1	Low	137 Å²	137	79.7 Å²	79.7	73%	0.733	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-61.4	-29.5	172.7	-101.3	-40.4	0	0	0	113.1	S144 L148 K153	S144-D146 PolarHBondContact O-N 2.73Å; S144-D146 VanDerWaalsContact O-N 3.1Å; D146-L148 VanDerWaalsContact C-N 3.27Å; D146-L148 PolarHBondContact O-N 3.2Å; D146-K153 PolarHBondContact O-NZ 3.25Å
147	S	64.6	Low	61.2	Low	63 Å²	63	80.4 Å²	80.4	44%	0.441	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	-71.2	-10.2	-173.5	66.2	0	0	0	0	115.9	Q127 S144 S145	Q127-S147 PolarHBondContact NE2-O 3.45Å; S144-S147 WeakPolarHBondContact O-CB 3.45Å; S144-S147 PolarHBondContact O-N 2.83Å; S144-S147 VanDerWaalsContact O-N 3.1Å; S144-S147 PolarHBondContact O-OG 2.8Å; S145-S147 PolarHBondContact O-N 3.48Å
148	L	75.8	Confident	63.6	Low	52 Å²	52	74.1 Å²	74.1	27%	0.272	45%	0.447	S	S	.	.			trans	-65.7	142.3	-178.1	-62.1	177.9	0	0	0	112.9	D146 I152 K153 I156	D146-L148 VanDerWaalsContact C-N 3.27Å; D146-L148 PolarHBondContact O-N 3.2Å; L148-I152 HydrophobicContact CB-CG2 4.35Å; L148-I152 HydrophobicContact CD1-CG2 4.14Å; L148-I152 HydrophobicContact CD2-CG2 4.21Å; L148-I152 HydrophobicContact CG-CG2 4.48Å; L148-K153 HydrophobicContact CB-CD 4.46Å; L148-K153 HydrophobicContact CB-CG 4.01Å; L148-K153 VanDerWaalsContact O-CE 3.23Å; L148-K153 WeakPolarHBondContact O-CE 3.25Å; L148-I156 HydrophobicContact CD1-CD1 4.22Å
149	C	83.2	Confident	66	Low	9 Å²	9	81.6 Å²	81.6	6%	0.061	46%	0.462	C	S	.	.			trans	-73.3	159.3	179.8	89.6	0	0	0	0	112.3	Q127 H151 I152 K153	Q127-C149 HydrophobicContact CB-CB 3.82Å; Q127-C149 HydrophobicContact CG-CB 3.92Å; C149-H151 PolarHBondContact O-N 2.96Å; C149-I152 HydrophobicContact CB-CD1 4.42Å; C149-I152 PolarHBondContact O-N 3.01Å; C149-I152 VanDerWaalsContact O-N 3.13Å; C149-I152 PolarHBondContact SG-N 3.04Å; C149-I152 VanDerWaalsContact SG-N 3.43Å; C149-K153 PolarHBondContact O-N 3.25Å
150	V	84	Confident	68.1	Low	77 Å²	77	79 Å²	79	47%	0.467	44%	0.437	S	S	.	.	H	α-helix	trans	-59	-30	-178.5	66.5	0	0	0	0	113.5	Q154	V150-Q154 WeakPolarHBondContact O-CB 3.41Å; V150-Q154 WeakPolarHBondContact O-CG 3.5Å; V150-Q154 PolarHBondContact O-N 3.39Å; V150-Q154 VanDerWaalsContact O-N 3.08Å
151	H	86.9	Confident	70.5	Confident	8 Å²	8	82.2 Å²	82.2	4%	0.037	43%	0.433	C	S	.	.	H	α-helix	trans	-72.6	-39.9	177.9	-46.5	118.1	0	0	0	111.9	V81 H83 V94 L122 C125 C149 Q154 A155	V81-H151 HydrophobicContact CG1-CB 4.16Å; H83-H151 AromaticContact CD2-NE2 3.34Å; H83-H151 PolarHBondContact CD2-NE2 3.3Å; H83-H151 VanDerWaalsContact CD2-NE2 3.34Å; H83-H151 AromaticContact CG-NE2 3.87Å; V94-H151 HydrophobicContact CG2-CB 3.94Å; L122-H151 WeakPolarHBondContact CD2-CE1 3.26Å; C125-H151 PolarHBondContact SG-ND1 3.38Å; C149-H151 PolarHBondContact O-N 2.96Å; H151-Q154 PolarHBondContact O-N 3.26Å; H151-A155 WeakPolarHBondContact O-CB 3.45Å; H151-A155 PolarHBondContact O-N 3.35Å
152	I	84.2	Confident	73.1	Confident	4 Å²	4	77 Å²	77	2%	0.021	40%	0.402	C	S	.	.	H	α-helix	trans	-67.5	-46.7	175.3	-66	159	0	0	0	110.1	V94 L96 G118 C120 L148 C149 Q154 A155 I156	V94-I152 HydrophobicContact CG1-CG1 4.06Å; L96-I152 HydrophobicContact CD2-CG2 3.97Å; G118-I152 WeakPolarHBondContact O-CD1 3.33Å; C120-I152 HydrophobicContact CB-CD1 3.99Å; C120-I152 HydrophobicContact CB-CG1 4.02Å; L148-I152 HydrophobicContact CB-CG2 4.35Å; L148-I152 HydrophobicContact CD1-CG2 4.14Å; L148-I152 HydrophobicContact CD2-CG2 4.21Å; L148-I152 HydrophobicContact CG-CG2 4.48Å; C149-I152 HydrophobicContact CB-CD1 4.42Å; C149-I152 PolarHBondContact O-N 3.01Å; C149-I152 VanDerWaalsContact O-N 3.13Å; C149-I152 PolarHBondContact SG-N 3.04Å; C149-I152 VanDerWaalsContact SG-N 3.43Å; I152-Q154 VanDerWaalsContact C-N 3.28Å; I152-Q154 PolarHBondContact O-N 3.3Å; I152-A155 PolarHBondContact O-N 3.42Å; I152-A155 VanDerWaalsContact O-N 3.07Å; I152-I156 HydrophobicContact CG2-CD1 4Å; I152-I156 WeakPolarHBondContact O-CG1 3.34Å; I152-I156 PolarHBondContact O-N 2.91Å
153	K	83.6	Confident	75.6	Confident	78 Å²	78	73 Å²	73	34%	0.339	39%	0.389	S	S	.	.	H	α-helix	trans	-56.9	-42.7	176.7	-66.2	-173.4	-179	-179.3	0	111	D146 L148 C149 I156 D157	D146-K153 PolarHBondContact O-NZ 3.25Å; L148-K153 HydrophobicContact CB-CD 4.46Å; L148-K153 HydrophobicContact CB-CG 4.01Å; L148-K153 VanDerWaalsContact O-CE 3.23Å; L148-K153 WeakPolarHBondContact O-CE 3.25Å; C149-K153 PolarHBondContact O-N 3.25Å; K153-I156 PolarHBondContact O-N 3.08Å; K153-D157 PolarHBondContact O-N 3.16Å; K153-D157 VanDerWaalsContact O-N 3.14Å
154	Q	84.1	Confident	77.9	Confident	62 Å²	62	72.4 Å²	72.4	29%	0.29	39%	0.385	S	S	.	.	H	α-helix	trans	-75.6	-21.2	175.8	-70.8	-174.6	34.6	0	0	115.6	V66 V68 V150 H151 I152 C158	V66-Q154 VanDerWaalsContact CB-OE1 3.24Å; V68-Q154 HydrophobicContact CG2-CB 3.85Å; V150-Q154 WeakPolarHBondContact O-CB 3.41Å; V150-Q154 WeakPolarHBondContact O-CG 3.5Å; V150-Q154 PolarHBondContact O-N 3.39Å; V150-Q154 VanDerWaalsContact O-N 3.08Å; H151-Q154 PolarHBondContact O-N 3.26Å; I152-Q154 VanDerWaalsContact C-N 3.28Å; I152-Q154 PolarHBondContact O-N 3.3Å; Q154-C158 WeakPolarHBondContact O-CB 3.36Å; Q154-C158 PolarHBondContact O-N 3.29Å
155	A	86.2	Confident	80.2	Confident	1 Å²	1	69.4 Å²	69.4	1%	0.008	36%	0.363	C	S	.	.	H	α-helix	trans	-71.1	-40.6	169.7	0	0	0	0	0	111	V68 F79 V94 L96 H151 I152 D157 C158	V68-A155 HydrophobicContact CG1-CB 4.38Å; F79-A155 HydrophobicContact CB-CB 4.14Å; F79-A155 HydrophobicContact CD1-CB 4.29Å; F79-A155 HydrophobicContact CD2-CB 3.93Å; F79-A155 WeakPolarHBondContact CE1-O 3.48Å; F79-A155 HydrophobicContact CE2-CB 4.42Å; F79-A155 HydrophobicContact CG-CB 3.87Å; V94-A155 HydrophobicContact CB-CB 4.14Å; V94-A155 HydrophobicContact CG1-CB 3.61Å; L96-A155 HydrophobicContact CD1-CB 4.19Å; L96-A155 HydrophobicContact CD2-CB 4.35Å; L96-A155 HydrophobicContact CG-CB 4.38Å; H151-A155 WeakPolarHBondContact O-CB 3.45Å; H151-A155 PolarHBondContact O-N 3.35Å; I152-A155 PolarHBondContact O-N 3.42Å; I152-A155 VanDerWaalsContact O-N 3.07Å; A155-D157 VanDerWaalsContact C-N 3.31Å; A155-D157 PolarHBondContact O-N 2.86Å; A155-C158 WeakPolarHBondContact O-CB 3.44Å; A155-C158 PolarHBondContact O-N 2.86Å; A155-C158 VanDerWaalsContact O-N 3.09Å
156	I	83.3	Confident	82	Confident	72 Å²	72	68.4 Å²	68.4	37%	0.369	35%	0.353	S	S	.	.	H	α-helix	trans	-61.8	-40	173.3	-63.3	164	0	0	0	110.7	L96 N116 L148 I152 K153 C158	L96-I156 HydrophobicContact CD1-CB 4.48Å; L96-I156 HydrophobicContact CD1-CG1 3.67Å; L96-I156 HydrophobicContact CD2-CG1 4.26Å; N116-I156 HydrophobicContact CB-CD1 4.14Å; N116-I156 HydrophobicContact CB-CG1 4.21Å; L148-I156 HydrophobicContact CD1-CD1 4.22Å; I152-I156 HydrophobicContact CG2-CD1 4Å; I152-I156 WeakPolarHBondContact O-CG1 3.34Å; I152-I156 PolarHBondContact O-N 2.91Å; K153-I156 PolarHBondContact O-N 3.08Å; I156-C158 VanDerWaalsContact C-N 3.27Å; I156-C158 PolarHBondContact O-N 2.89Å
157	D	81.7	Confident	83.7	Confident	123 Å²	123	64.4 Å²	64.4	66%	0.658	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-3.8	175.6	-67.9	-35.9	0	0	0	114.3	K153 A155 R159	K153-D157 PolarHBondContact O-N 3.16Å; K153-D157 VanDerWaalsContact O-N 3.14Å; A155-D157 VanDerWaalsContact C-N 3.31Å; A155-D157 PolarHBondContact O-N 2.86Å; D157-R159 PolarHBondContact O-N 3.5Å
158	C	83.4	Confident	84.6	Confident	23 Å²	23	66.5 Å²	66.5	16%	0.155	33%	0.33	C	S	.	.			trans	-77.3	119.8	-167.5	178.6	0	0	0	0	113.5	V68 F79 Q154 A155 I156 S160	V68-C158 HydrophobicContact CB-CB 4.29Å; V68-C158 HydrophobicContact CG1-CB 3.91Å; V68-C158 PolarHBondContact O-SG 3.47Å; V68-C158 VanDerWaalsContact O-SG 3.39Å; F79-C158 HydrophobicContact CD1-CB 3.77Å; F79-C158 HydrophobicContact CE1-CB 3.71Å; Q154-C158 WeakPolarHBondContact O-CB 3.36Å; Q154-C158 PolarHBondContact O-N 3.29Å; A155-C158 WeakPolarHBondContact O-CB 3.44Å; A155-C158 PolarHBondContact O-N 2.86Å; A155-C158 VanDerWaalsContact O-N 3.09Å; I156-C158 VanDerWaalsContact C-N 3.27Å; I156-C158 PolarHBondContact O-N 2.89Å; C158-S160 PolarHBondContact SG-O 2.9Å; C158-S160 VanDerWaalsContact SG-O 3.41Å; C158-S160 PolarHBondContact SG-OG 3.35Å
159	R	82.6	Confident	84.9	Confident	241 Å²	241	66.2 Å²	66.2	91%	0.909	33%	0.332	S	S	*	.			trans	-104.2	-12.3	175.8	-57.2	-176.3	-174.5	-168.2	-1.1	114.2	D157	D157-R159 PolarHBondContact O-N 3.5Å
160	S	84.6	Confident	85	Confident	57 Å²	57	69.4 Å²	69.4	40%	0.399	36%	0.355	S	S	.	.			trans	-73.3	137.7	176.8	6.4	0	0	0	0	111.1	V68 R70 C158	V68-S160 PolarHBondContact O-OG 3.02Å; R70-S160 VanDerWaalsContact CB-O 3.3Å; R70-S160 WeakPolarHBondContact CB-O 3.31Å; R70-S160 PolarHBondContact N-O 3.07Å; C158-S160 PolarHBondContact SG-O 2.9Å; C158-S160 VanDerWaalsContact SG-O 3.41Å; C158-S160 PolarHBondContact SG-OG 3.35Å
161	R	86.8	Confident	85	Confident	173 Å²	173	67 Å²	67	65%	0.653	34%	0.34	S	S	*	.	B	Isolated β-bridge	trans	-121.3	145.7	173.3	-63.9	179.9	69.7	176.9	2.7	110.4	V69 R70	V69-R161 VanDerWaalsContact CG1-C 3.48Å; R70-R161 HydrophobicContact CB-CG 4.34Å; R70-R161 CarbonylContact O-C 3.53Å
162	A	89.9	Confident	84.8	Confident	6 Å²	6	67.1 Å²	67.1	5%	0.05	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-65.2	150.1	173.9	0	0	0	0	0	110.7	V69 R70 I72 Q198 R199 V200	V69-A162 HydrophobicContact CG1-CB 4.17Å; V69-A162 VanDerWaalsContact CG1-N 3.35Å; R70-A162 WeakPolarHBondContact O-CB 3.24Å; R70-A162 PolarHBondContact O-N 3.36Å; I72-A162 WeakPolarHBondContact CD1-O 3.44Å; A162-Q198 HydrophobicContact CB-CB 4.2Å; A162-Q198 HydrophobicContact CB-CG 4.4Å; A162-R199 WeakPolarHBondContact CA-O 3.36Å; A162-V200 HydrophobicContact CB-CG1 3.9Å
163	T	88.9	Confident	84.6	Confident	87 Å²	87	72.2 Å²	72.2	53%	0.534	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	117.7	175.2	-57.6	0	0	0	0	109.3	Q198 R199	T163-Q198 CarbonylContact O-C 3.4Å; T163-Q198 VanDerWaalsContact O-CA 3.28Å; T163-Q198 WeakPolarHBondContact O-CA 3.49Å; T163-Q198 WeakPolarHBondContact O-CB 3.43Å; T163-R199 PolarHBondContact N-O 3.37Å; T163-R199 PolarHBondContact O-N 2.94Å
164	P	88.6	Confident	84.4	Confident	70 Å²	70	72.1 Å²	72.1	46%	0.455	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	138.6	179.5	29.5	-32.8	0	0	0	110.2	I72 P195	I72-P164 HydrophobicContact CD1-CB 4.26Å; I72-P164 HydrophobicContact CD1-CG 4.04Å; P164-P195 HydrophobicContact CB-CB 3.83Å; P164-P195 HydrophobicContact CB-CG 3.96Å
165	L	86.1	Confident	84.3	Confident	18 Å²	18	69.9 Å²	69.9	9%	0.094	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-96.8	137.7	172.6	-54.4	-167.2	0	0	0	110.3	V197 R199 L205 A274 F275 L281	L165-V197 HydrophobicContact CB-CB 4.4Å; L165-V197 WeakPolarHBondContact CB-O 3.28Å; L165-V197 HydrophobicContact CD1-CB 4.37Å; L165-V197 HydrophobicContact CD1-CG1 3.79Å; L165-V197 HydrophobicContact CG-CG1 4.32Å; L165-V197 PolarHBondContact N-O 3.48Å; L165-R199 HydrophobicContact CD2-CB 4.3Å; L165-L205 HydrophobicContact CD1-CD2 4.22Å; L165-A274 HydrophobicContact CB-CB 3.92Å; L165-A274 HydrophobicContact CD1-CB 3.95Å; L165-F275 HydrophobicContact CD1-CD1 4.21Å; L165-F275 HydrophobicContact CD1-CE1 4.13Å; L165-L281 HydrophobicContact CD1-CD1 4.29Å; L165-L281 HydrophobicContact CD2-CD1 3.73Å
166	T	85.2	Confident	83.7	Confident	76 Å²	76	74.7 Å²	74.7	47%	0.466	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-68.6	139.1	175.5	50.4	0	0	0	0	111.4	S277	T166-S277 WeakPolarHBondContact O-CB 3.46Å; T166-S277 PolarHBondContact O-OG 3.34Å
167	F	84.8	Confident	83.4	Confident	53 Å²	53	72.4 Å²	72.4	23%	0.232	38%	0.383	C	S	.	.			trans	-120.8	127.4	174.4	-179.3	-101.9	0	0	0	108.9	L172 W186 A189 L196 C273	F167-L172 HydrophobicContact CE1-CD2 4.5Å; F167-L172 HydrophobicContact CZ-CB 4.13Å; F167-L172 HydrophobicContact CZ-CD1 4.12Å; F167-L172 HydrophobicContact CZ-CD2 4Å; F167-L172 HydrophobicContact CZ-CG 4.31Å; F167-W186 HydrophobicContact CE1-CE3 4.28Å; F167-A189 HydrophobicContact CD1-CB 3.93Å; F167-A189 HydrophobicContact CE1-CB 3.67Å; F167-A189 HydrophobicContact CZ-CB 4.23Å; F167-L196 HydrophobicContact CD2-CD2 3.6Å; F167-L196 HydrophobicContact CE2-CD2 3.49Å; F167-L196 VanDerWaalsContact CE2-CD2 3.49Å; F167-L196 HydrophobicContact CG-CD2 4.26Å; F167-L196 HydrophobicContact CZ-CD2 4.08Å; F167-C273 HydrophobicContact CD2-CB 3.93Å; F167-C273 HydrophobicContact CE2-CB 3.66Å
168	K	83	Confident	83.3	Confident	107 Å²	107	70.1 Å²	70.1	47%	0.465	38%	0.376	S	S	.	.			trans	-116.1	132.5	-178.9	-70.1	172.8	176	165.4	0	110.6	S170 V171 L172 S277	K168-S170 VanDerWaalsContact C-N 3.33Å; K168-S170 PolarHBondContact O-N 2.8Å; K168-V171 HydrophobicContact CB-CB 4.41Å; K168-V171 HydrophobicContact CB-CG2 4.02Å; K168-V171 HydrophobicContact CD-CG2 4.49Å; K168-V171 PolarHBondContact O-N 3.29Å; K168-V171 VanDerWaalsContact O-N 3.07Å; K168-L172 PolarHBondContact O-N 2.83Å; K168-S277 VanDerWaalsContact CE-O 3.28Å; K168-S277 WeakPolarHBondContact CE-O 3.48Å; K168-S277 PolarHBondContact N-OG 3.08Å; K168-S277 VanDerWaalsContact N-OG 3.11Å; K168-S277 PolarHBondContact NZ-O 3.43Å
169	S	82.7	Confident	83.2	Confident	45 Å²	45	74.9 Å²	74.9	32%	0.315	40%	0.399	S	S	.	.	H	α-helix	trans	-55.1	-46.6	178	-162.1	0	0	0	0	112.3	V171 L172 E173 W186	S169-V171 PolarHBondContact O-N 2.97Å; S169-L172 CarbonylContact O-C 3.15Å; S169-L172 WeakPolarHBondContact O-CA 3.43Å; S169-L172 WeakPolarHBondContact O-CB 3.22Å; S169-L172 PolarHBondContact O-N 2.68Å; S169-E173 WeakPolarHBondContact CB-OE1 3.4Å; S169-E173 WeakPolarHBondContact O-CG 3.37Å; S169-E173 PolarHBondContact O-N 3.11Å; S169-E173 PolarHBondContact OG-OE1 3.34Å; S169-W186 WeakPolarHBondContact OG-CZ3 3.36Å
170	S	84.1	Confident	83.2	Confident	76 Å²	76	69.3 Å²	69.3	53%	0.531	38%	0.383	S	S	.	.	H	α-helix	trans	-57.8	-23.5	178.7	54.8	0	0	0	0	114.8	K168 E173 A174	K168-S170 VanDerWaalsContact C-N 3.33Å; K168-S170 PolarHBondContact O-N 2.8Å; S170-E173 PolarHBondContact N-OE1 2.86Å; S170-A174 WeakPolarHBondContact O-CB 3.33Å; S170-A174 PolarHBondContact O-N 2.88Å; S170-A174 VanDerWaalsContact O-N 3.16Å
171	V	85.3	Confident	83	Confident	28 Å²	28	67.2 Å²	67.2	17%	0.17	37%	0.37	C	S	.	.	H	α-helix	trans	-84	-35	175.9	177	0	0	0	0	111.5	K168 S169 E173 A174 L175 C273	K168-V171 HydrophobicContact CB-CB 4.41Å; K168-V171 HydrophobicContact CB-CG2 4.02Å; K168-V171 HydrophobicContact CD-CG2 4.49Å; K168-V171 PolarHBondContact O-N 3.29Å; K168-V171 VanDerWaalsContact O-N 3.07Å; S169-V171 PolarHBondContact O-N 2.97Å; V171-E173 VanDerWaalsContact C-N 3.33Å; V171-A174 PolarHBondContact O-N 2.97Å; V171-L175 PolarHBondContact O-N 2.82Å; V171-C273 HydrophobicContact CG1-CB 4.34Å
172	L	81.6	Confident	82.9	Confident	10 Å²	10	62.5 Å²	62.5	5%	0.052	35%	0.352	C	S	.	.	H	α-helix	trans	-66.2	-38.1	169	-175.5	72.1	0	0	0	111.1	F167 K168 S169 A174 L175 R182 L185 W186	F167-L172 HydrophobicContact CE1-CD2 4.5Å; F167-L172 HydrophobicContact CZ-CB 4.13Å; F167-L172 HydrophobicContact CZ-CD1 4.12Å; F167-L172 HydrophobicContact CZ-CD2 4Å; F167-L172 HydrophobicContact CZ-CG 4.31Å; K168-L172 PolarHBondContact O-N 2.83Å; S169-L172 CarbonylContact O-C 3.15Å; S169-L172 WeakPolarHBondContact O-CA 3.43Å; S169-L172 WeakPolarHBondContact O-CB 3.22Å; S169-L172 PolarHBondContact O-N 2.68Å; L172-A174 VanDerWaalsContact C-N 3.34Å; L172-L175 HydrophobicContact CD1-CD2 4.44Å; L172-L175 VanDerWaalsContact O-CB 3.25Å; L172-L175 WeakPolarHBondContact O-CB 3.38Å; L172-L175 PolarHBondContact O-N 3.49Å; L172-R182 HydrophobicContact CD1-CB 4.23Å; L172-R182 HydrophobicContact CD1-CG 4.16Å; L172-R182 HydrophobicContact CG-CB 4.3Å; L172-R182 HydrophobicContact CG-CG 4.39Å; L172-R182 PolarHBondContact O-NH1 2.86Å; L172-L185 HydrophobicContact CD1-CB 3.78Å; L172-L185 HydrophobicContact CD1-CD1 3.81Å; L172-L185 HydrophobicContact CD1-CG 4.45Å; L172-W186 HydrophobicContact CD2-CB 3.92Å; L172-W186 HydrophobicContact CD2-CE3 3.87Å
173	E	80.7	Confident	82.7	Confident	110 Å²	110	67.9 Å²	67.9	51%	0.514	38%	0.376	S	S	.	.	H	α-helix	trans	-67.7	-32.8	177.3	-71	158.4	-128.1	0	0	112.7	S169 S170 V171 L175 R182	S169-E173 WeakPolarHBondContact CB-OE1 3.4Å; S169-E173 WeakPolarHBondContact O-CG 3.37Å; S169-E173 PolarHBondContact O-N 3.11Å; S169-E173 PolarHBondContact OG-OE1 3.34Å; S170-E173 PolarHBondContact N-OE1 2.86Å; V171-E173 VanDerWaalsContact C-N 3.33Å; E173-L175 VanDerWaalsContact C-N 3.34Å; E173-R182 PolarHBondContact O-NH1 3.47Å
174	A	80	Confident	82.6	Confident	77 Å²	77	66.2 Å²	66.2	64%	0.636	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-5.1	172.5	0	0	0	0	0	114.1	S170 V171 L172 Q176	S170-A174 WeakPolarHBondContact O-CB 3.33Å; S170-A174 PolarHBondContact O-N 2.88Å; S170-A174 VanDerWaalsContact O-N 3.16Å; V171-A174 PolarHBondContact O-N 2.97Å; L172-A174 VanDerWaalsContact C-N 3.34Å; A174-Q176 PolarHBondContact O-N 2.88Å
175	L	80.9	Confident	82.4	Confident	15 Å²	15	62.9 Å²	62.9	8%	0.079	34%	0.34	C	S	.	.			trans	-71.3	125.1	-176.4	-172.8	73.8	0	0	0	111.6	V171 L172 E173 A177 R182 L185 Y269 V272	V171-L175 PolarHBondContact O-N 2.82Å; L172-L175 HydrophobicContact CD1-CD2 4.44Å; L172-L175 VanDerWaalsContact O-CB 3.25Å; L172-L175 WeakPolarHBondContact O-CB 3.38Å; L172-L175 PolarHBondContact O-N 3.49Å; E173-L175 VanDerWaalsContact C-N 3.34Å; L175-A177 HydrophobicContact CD2-CB 3.64Å; L175-A177 HydrophobicContact CG-CB 3.92Å; L175-A177 PolarHBondContact O-N 2.76Å; L175-R182 HydrophobicContact CD2-CG 4.47Å; L175-R182 PolarHBondContact O-NH1 2.82Å; L175-L185 HydrophobicContact CD2-CD1 4.07Å; L175-Y269 HydrophobicContact CD1-CD1 4.14Å; L175-Y269 HydrophobicContact CD2-CD1 3.97Å; L175-Y269 HydrophobicContact CD2-CG 4.16Å; L175-Y269 HydrophobicContact CG-CD1 4.36Å; L175-V272 HydrophobicContact CD1-CG1 4.02Å
176	Q	72.9	Confident	82.5	Confident	102 Å²	102	67.7 Å²	67.7	48%	0.477	36%	0.357	S	S	.	.			trans	-78.5	68.4	172.9	-62	-176.8	-2.7	0	0	111.4	A174 T296	A174-Q176 PolarHBondContact O-N 2.88Å; Q176-T296 HydrophobicContact CB-CG2 4.08Å; Q176-T296 PolarHBondContact O-OG1 2.8Å
177	A	77.4	Confident	82.6	Confident	24 Å²	24	70.2 Å²	70.2	20%	0.198	36%	0.358	C	S	.	.	S	Bend	trans	-135.1	171.8	175.3	0	0	0	0	0	110.3	L175 Y269	L175-A177 HydrophobicContact CD2-CB 3.64Å; L175-A177 HydrophobicContact CG-CB 3.92Å; L175-A177 PolarHBondContact O-N 2.76Å; A177-Y269 HydrophobicContact CB-CD1 4.14Å; A177-Y269 HydrophobicContact CB-CD2 4.43Å; A177-Y269 HydrophobicContact CB-CE1 3.86Å; A177-Y269 HydrophobicContact CB-CE2 4.19Å; A177-Y269 HydrophobicContact CB-CG 4.4Å
178	S	80.4	Confident	82.5	Confident	74 Å²	74	68 Å²	68	52%	0.517	35%	0.349	S	S	.	.			trans	-64.5	153.6	176.2	63.7	0	0	0	0	112	Q180 A181 R182	S178-Q180 VanDerWaalsContact C-N 3.34Å; S178-Q180 PolarHBondContact O-N 2.82Å; S178-A181 PolarHBondContact O-N 2.95Å; S178-A181 WeakPolarHBondContact OG-CB 3.33Å; S178-A181 PolarHBondContact OG-N 2.91Å; S178-R182 PolarHBondContact O-N 3.05Å; S178-R182 VanDerWaalsContact O-N 3.12Å
179	I	81.5	Confident	82.5	Confident	124 Å²	124	64.2 Å²	64.2	64%	0.636	34%	0.338	S	S	*	.	H	α-helix	trans	-58	-48.2	179.5	-60.6	173.1	0	0	0	110.2	A181 R182 E183	I179-A181 VanDerWaalsContact C-N 3.35Å; I179-A181 PolarHBondContact O-N 3.46Å; I179-R182 WeakPolarHBondContact O-CB 3.19Å; I179-R182 PolarHBondContact O-N 2.99Å; I179-E183 HydrophobicContact CG2-CG 4.47Å; I179-E183 WeakPolarHBondContact CG2-OE1 3.5Å; I179-E183 WeakPolarHBondContact O-CG 3.33Å; I179-E183 PolarHBondContact O-N 2.91Å
180	Q	82.6	Confident	82.5	Confident	124 Å²	124	66 Å²	66	58%	0.579	35%	0.346	S	S	*	.	H	α-helix	trans	-54.1	-46.1	174.8	-178.1	-174.5	-11.3	0	0	112.7	S178 R182 E183 E184	S178-Q180 VanDerWaalsContact C-N 3.34Å; S178-Q180 PolarHBondContact O-N 2.82Å; Q180-R182 VanDerWaalsContact C-N 3.26Å; Q180-R182 PolarHBondContact O-N 2.88Å; Q180-E183 PolarHBondContact O-N 3.4Å; Q180-E184 HydrophobicContact CG-CG 4.48Å; Q180-E184 VanDerWaalsContact CG-OE1 3.32Å; Q180-E184 WeakPolarHBondContact CG-OE1 3.21Å; Q180-E184 PolarHBondContact NE2-OE1 2.75Å; Q180-E184 WeakPolarHBondContact O-CG 3.33Å; Q180-E184 PolarHBondContact O-N 2.86Å
181	A	80.8	Confident	82.3	Confident	13 Å²	13	68.4 Å²	68.4	11%	0.107	35%	0.349	C	S	.	.	H	α-helix	trans	-64.8	-31.5	179.6	0	0	0	0	0	112.2	S178 I179 L185	S178-A181 PolarHBondContact O-N 2.95Å; S178-A181 WeakPolarHBondContact OG-CB 3.33Å; S178-A181 PolarHBondContact OG-N 2.91Å; I179-A181 VanDerWaalsContact C-N 3.35Å; I179-A181 PolarHBondContact O-N 3.46Å; A181-L185 WeakPolarHBondContact O-CB 3.48Å; A181-L185 WeakPolarHBondContact O-CD1 3.42Å; A181-L185 WeakPolarHBondContact O-CG 3.23Å; A181-L185 PolarHBondContact O-N 2.84Å; A181-L185 VanDerWaalsContact O-N 3.09Å
182	R	84.1	Confident	81.6	Confident	73 Å²	73	69.3 Å²	69.3	28%	0.275	36%	0.357	S	S	.	.	H	α-helix	trans	-70.7	-41.9	173.3	-70.8	158.2	49.9	135.2	-2.8	111.8	L172 E173 L175 S178 I179 Q180 L185 W186	L172-R182 HydrophobicContact CD1-CB 4.23Å; L172-R182 HydrophobicContact CD1-CG 4.16Å; L172-R182 HydrophobicContact CG-CB 4.3Å; L172-R182 HydrophobicContact CG-CG 4.39Å; L172-R182 PolarHBondContact O-NH1 2.86Å; E173-R182 PolarHBondContact O-NH1 3.47Å; L175-R182 HydrophobicContact CD2-CG 4.47Å; L175-R182 PolarHBondContact O-NH1 2.82Å; S178-R182 PolarHBondContact O-N 3.05Å; S178-R182 VanDerWaalsContact O-N 3.12Å; I179-R182 WeakPolarHBondContact O-CB 3.19Å; I179-R182 PolarHBondContact O-N 2.99Å; Q180-R182 VanDerWaalsContact C-N 3.26Å; Q180-R182 PolarHBondContact O-N 2.88Å; R182-L185 PolarHBondContact O-N 3.03Å; R182-W186 WeakPolarHBondContact O-CB 3.42Å; R182-W186 PolarHBondContact O-N 2.68Å
183	E	86.1	Confident	81	Confident	119 Å²	119	73 Å²	73	56%	0.556	38%	0.381	S	S	*	.	H	α-helix	trans	-64.6	-42.2	176.8	-69.9	171.3	178.2	0	0	112.3	I179 Q180 W186 R187	I179-E183 HydrophobicContact CG2-CG 4.47Å; I179-E183 WeakPolarHBondContact CG2-OE1 3.5Å; I179-E183 WeakPolarHBondContact O-CG 3.33Å; I179-E183 PolarHBondContact O-N 2.91Å; Q180-E183 PolarHBondContact O-N 3.4Å; E183-W186 PolarHBondContact O-N 3.33Å; E183-R187 WeakPolarHBondContact O-CB 3.4Å; E183-R187 PolarHBondContact O-N 3.34Å
184	E	84.9	Confident	80.8	Confident	52 Å²	52	69.8 Å²	69.8	24%	0.243	38%	0.378	C	S	.	.	H	α-helix	trans	-66	-39.1	174.7	-71.7	175.2	-163	0	0	112.1	Q180 R187 L188 L266	Q180-E184 HydrophobicContact CG-CG 4.48Å; Q180-E184 VanDerWaalsContact CG-OE1 3.32Å; Q180-E184 WeakPolarHBondContact CG-OE1 3.21Å; Q180-E184 PolarHBondContact NE2-OE1 2.75Å; Q180-E184 WeakPolarHBondContact O-CG 3.33Å; Q180-E184 PolarHBondContact O-N 2.86Å; E184-R187 PolarHBondContact O-N 3.43Å; E184-L188 WeakPolarHBondContact O-CG 3.43Å; E184-L188 PolarHBondContact O-N 2.93Å; E184-L266 HydrophobicContact CB-CD1 3.46Å; E184-L266 VanDerWaalsContact CB-CD1 3.46Å; E184-L266 HydrophobicContact CG-CD1 4.49Å; E184-L266 WeakPolarHBondContact OE2-CD1 3.4Å
185	L	86	Confident	81	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-63.9	-41.8	172.5	-79.3	167.1	0	0	0	112.7	L172 L175 A181 R182 A189 L196 L266 A270	L172-L185 HydrophobicContact CD1-CB 3.78Å; L172-L185 HydrophobicContact CD1-CD1 3.81Å; L172-L185 HydrophobicContact CD1-CG 4.45Å; L175-L185 HydrophobicContact CD2-CD1 4.07Å; A181-L185 WeakPolarHBondContact O-CB 3.48Å; A181-L185 WeakPolarHBondContact O-CD1 3.42Å; A181-L185 WeakPolarHBondContact O-CG 3.23Å; A181-L185 PolarHBondContact O-N 2.84Å; A181-L185 VanDerWaalsContact O-N 3.09Å; R182-L185 PolarHBondContact O-N 3.03Å; L185-A189 WeakPolarHBondContact O-CB 3.27Å; L185-A189 PolarHBondContact O-N 3.01Å; L185-A189 VanDerWaalsContact O-N 3.14Å; L185-L196 HydrophobicContact CD2-CD2 4.39Å; L185-L266 HydrophobicContact CD2-CD2 3.61Å; L185-L266 HydrophobicContact CD2-CG 3.9Å; L185-L266 HydrophobicContact CG-CD1 4.28Å; L185-L266 HydrophobicContact CG-CD2 4.09Å; L185-L266 HydrophobicContact CG-CG 3.92Å; L185-A270 HydrophobicContact CD2-CB 3.56Å
186	W	87	Confident	81.2	Confident	120 Å²	120	67 Å²	67	46%	0.455	35%	0.353	S	S	.	.	H	α-helix	trans	-62.2	-45.1	174.8	-176.8	-100.1	0	0	0	110.9	F167 S169 L172 R182 E183 A189 T190	F167-W186 HydrophobicContact CE1-CE3 4.28Å; S169-W186 WeakPolarHBondContact OG-CZ3 3.36Å; L172-W186 HydrophobicContact CD2-CB 3.92Å; L172-W186 HydrophobicContact CD2-CE3 3.87Å; R182-W186 WeakPolarHBondContact O-CB 3.42Å; R182-W186 PolarHBondContact O-N 2.68Å; E183-W186 PolarHBondContact O-N 3.33Å; W186-A189 PolarHBondContact O-N 3.09Å; W186-A189 VanDerWaalsContact O-N 3.17Å; W186-T190 HydrophobicContact CD2-CG2 4.28Å; W186-T190 HydrophobicContact CZ2-CG2 4.09Å; W186-T190 WeakPolarHBondContact O-CB 3.47Å; W186-T190 WeakPolarHBondContact O-CG2 3.43Å; W186-T190 PolarHBondContact O-N 3.22Å; W186-T190 VanDerWaalsContact O-N 3.12Å; W186-T190 PolarHBondContact O-OG1 3.1Å
187	R	86.8	Confident	82	Confident	129 Å²	129	62.1 Å²	62.1	49%	0.487	33%	0.331	S	S	.	.	H	α-helix	trans	-58.1	-54.2	176.6	-165.8	-169.8	-55.2	-171.4	4.2	111.4	E183 E184 A189 T190 E191	E183-R187 WeakPolarHBondContact O-CB 3.4Å; E183-R187 PolarHBondContact O-N 3.34Å; E184-R187 PolarHBondContact O-N 3.43Å; R187-A189 PolarHBondContact O-N 2.9Å; R187-T190 PolarHBondContact O-N 3.31Å; R187-T190 PolarHBondContact O-OG1 3.13Å; R187-E191 WeakPolarHBondContact CD-OE2 3.45Å; R187-E191 HydrophobicContact CG-CB 4.09Å; R187-E191 WeakPolarHBondContact CG-OE2 3.42Å; R187-E191 WeakPolarHBondContact O-CB 3.37Å; R187-E191 PolarHBondContact O-N 3.17Å
188	L	84.6	Confident	82.7	Confident	7 Å²	7	61.1 Å²	61.1	4%	0.037	32%	0.322	C	S	.	.	H	α-helix	trans	-60.4	-22.1	178.2	-71.5	170.7	0	0	0	113.9	E184 L196 L266	E184-L188 WeakPolarHBondContact O-CG 3.43Å; E184-L188 PolarHBondContact O-N 2.93Å; L188-L196 HydrophobicContact CB-CD1 3.72Å; L188-L266 HydrophobicContact CD1-CD2 3.63Å
189	A	82.6	Confident	83	Confident	27 Å²	27	59.7 Å²	59.7	22%	0.223	31%	0.305	C	S	.	.	H	α-helix	trans	-87.2	-12.7	175	0	0	0	0	0	114.5	F167 L185 W186 R187 L196	F167-A189 HydrophobicContact CD1-CB 3.93Å; F167-A189 HydrophobicContact CE1-CB 3.67Å; F167-A189 HydrophobicContact CZ-CB 4.23Å; L185-A189 WeakPolarHBondContact O-CB 3.27Å; L185-A189 PolarHBondContact O-N 3.01Å; L185-A189 VanDerWaalsContact O-N 3.14Å; W186-A189 PolarHBondContact O-N 3.09Å; W186-A189 VanDerWaalsContact O-N 3.17Å; R187-A189 PolarHBondContact O-N 2.9Å; A189-L196 HydrophobicContact CB-CB 4.35Å; A189-L196 HydrophobicContact CB-CD1 4.22Å; A189-L196 HydrophobicContact CB-CD2 4.32Å
190	T	82.5	Confident	83.3	Confident	81 Å²	81	54.5 Å²	54.5	50%	0.497	28%	0.279	S	S	.	.	H	α-helix	trans	-126.5	-27.5	-171.6	51.5	0	0	0	0	114.7	W186 R187	W186-T190 HydrophobicContact CD2-CG2 4.28Å; W186-T190 HydrophobicContact CZ2-CG2 4.09Å; W186-T190 WeakPolarHBondContact O-CB 3.47Å; W186-T190 WeakPolarHBondContact O-CG2 3.43Å; W186-T190 PolarHBondContact O-N 3.22Å; W186-T190 VanDerWaalsContact O-N 3.12Å; W186-T190 PolarHBondContact O-OG1 3.1Å; R187-T190 PolarHBondContact O-N 3.31Å; R187-T190 PolarHBondContact O-OG1 3.13Å
191	E	80	Confident	83.4	Confident	127 Å²	127	50.3 Å²	50.3	59%	0.593	26%	0.264	S	S	*	.	S	Bend	trans	-73.2	-26.8	-178.5	-178.2	171.5	-137.7	0	0	113	R187	R187-E191 WeakPolarHBondContact CD-OE2 3.45Å; R187-E191 HydrophobicContact CG-CB 4.09Å; R187-E191 WeakPolarHBondContact CG-OE2 3.42Å; R187-E191 WeakPolarHBondContact O-CB 3.37Å; R187-E191 PolarHBondContact O-N 3.17Å
192	S	70.1	Confident	83.5	Confident	47 Å²	47	55 Å²	55	33%	0.329	28%	0.281	S	S	.	.	S	Bend	trans	-128.6	136.1	178.7	56	0	0	0	0	111.8	K208	S192-K208 PolarHBondContact O-NZ 2.97Å; S192-K208 PolarHBondContact OG-NZ 2.82Å
193	P	68.6	Low	83.5	Confident	87 Å²	87	54.4 Å²	54.4	57%	0.565	28%	0.284	S	S	*	.	S	Bend	trans	-59.4	152.6	175.6	-24	34.3	0	0	0	113.5	D74 K208	D74-P193 HydrophobicContact CB-CB 4.3Å; D74-P193 WeakPolarHBondContact OD2-CB 3.16Å; D74-P193 WeakPolarHBondContact OD2-CD 3.45Å; D74-P193 VanDerWaalsContact OD2-CG 3.27Å; D74-P193 WeakPolarHBondContact OD2-CG 3.41Å; P193-K208 PolarHBondContact O-NZ 2.84Å
194	G	77.3	Confident	83.5	Confident	43 Å²	43	49 Å²	49	44%	0.443	26%	0.259	S	S	.	.	S	Bend	trans	88.8	172.4	177.8	0	0	0	0	0	115.3	K208	G194-K208 PolarHBondContact O-NZ 3.1Å
195	P	84.6	Confident	83.7	Confident	24 Å²	24	46.6 Å²	46.6	16%	0.156	25%	0.248	C	C	.	.			trans	-69.3	136.8	-164.6	29.3	-37.2	0	0	0	113.9	I72 P164 V197 Q198 K208	I72-P195 HydrophobicContact CB-CG 4.23Å; I72-P195 HydrophobicContact CG2-CG 4.47Å; P164-P195 HydrophobicContact CB-CB 3.83Å; P164-P195 HydrophobicContact CB-CG 3.96Å; P195-V197 VanDerWaalsContact C-N 3.33Å; P195-V197 PolarHBondContact O-N 3.35Å; P195-Q198 HydrophobicContact CG-CB 4.21Å; P195-Q198 HydrophobicContact CG-CG 4.37Å; P195-K208 WeakPolarHBondContact O-CE 3.4Å
196	L	84.8	Confident	84	Confident	9 Å²	9	46.6 Å²	46.6	5%	0.047	25%	0.248	C	C	.	.	S	Bend	trans	-61.7	-39.9	172.3	-178	74.1	0	0	0	112.1	F167 L185 L188 A189 V207 K208 A270	F167-L196 HydrophobicContact CD2-CD2 3.6Å; F167-L196 HydrophobicContact CE2-CD2 3.49Å; F167-L196 VanDerWaalsContact CE2-CD2 3.49Å; F167-L196 HydrophobicContact CG-CD2 4.26Å; F167-L196 HydrophobicContact CZ-CD2 4.08Å; L185-L196 HydrophobicContact CD2-CD2 4.39Å; L188-L196 HydrophobicContact CB-CD1 3.72Å; A189-L196 HydrophobicContact CB-CB 4.35Å; A189-L196 HydrophobicContact CB-CD1 4.22Å; A189-L196 HydrophobicContact CB-CD2 4.32Å; L196-V207 WeakPolarHBondContact O-CA 3.48Å; L196-K208 HydrophobicContact CD1-CB 4.35Å; L196-K208 PolarHBondContact O-N 2.87Å; L196-A270 HydrophobicContact CD2-CB 4.01Å; L196-A270 HydrophobicContact CG-CB 4.32Å
197	V	89	Confident	84.1	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	138.7	178.2	-174.2	0	0	0	0	109.3	L165 P195 L205 V206 V207 A270 A274	L165-V197 HydrophobicContact CB-CB 4.4Å; L165-V197 WeakPolarHBondContact CB-O 3.28Å; L165-V197 HydrophobicContact CD1-CB 4.37Å; L165-V197 HydrophobicContact CD1-CG1 3.79Å; L165-V197 HydrophobicContact CG-CG1 4.32Å; L165-V197 PolarHBondContact N-O 3.48Å; P195-V197 VanDerWaalsContact C-N 3.33Å; P195-V197 PolarHBondContact O-N 3.35Å; V197-L205 HydrophobicContact CG1-CB 4.25Å; V197-L205 HydrophobicContact CG1-CD1 4.04Å; V197-L205 HydrophobicContact CG1-CD2 4.44Å; V197-L205 HydrophobicContact CG1-CG 4.48Å; V197-V206 WeakPolarHBondContact CA-O 3.25Å; V197-V207 HydrophobicContact CG1-CG2 4.3Å; V197-V207 HydrophobicContact CG2-CG1 4.2Å; V197-V207 HydrophobicContact CG2-CG2 4.36Å; V197-A270 HydrophobicContact CG2-CB 3.94Å; V197-A274 HydrophobicContact CB-CB 3.81Å; V197-A274 HydrophobicContact CG1-CB 4.23Å; V197-A274 HydrophobicContact CG2-CB 3.86Å
198	Q	91.7	Very high	84.2	Confident	3 Å²	3	35.7 Å²	35.7	1%	0.014	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	140	176.6	44.6	152.5	46.5	0	0	111.2	A162 T163 P195 L205 V206	A162-Q198 HydrophobicContact CB-CB 4.2Å; A162-Q198 HydrophobicContact CB-CG 4.4Å; T163-Q198 CarbonylContact O-C 3.4Å; T163-Q198 VanDerWaalsContact O-CA 3.28Å; T163-Q198 WeakPolarHBondContact O-CA 3.49Å; T163-Q198 WeakPolarHBondContact O-CB 3.43Å; P195-Q198 HydrophobicContact CG-CB 4.21Å; P195-Q198 HydrophobicContact CG-CG 4.37Å; Q198-L205 CarbonylContact O-C 3.43Å; Q198-L205 WeakPolarHBondContact O-CA 3.48Å; Q198-V206 HydrophobicContact CG-CB 4.18Å; Q198-V206 HydrophobicContact CG-CG1 4.47Å; Q198-V206 PolarHBondContact N-O 3.29Å; Q198-V206 PolarHBondContact O-N 2.91Å
199	R	88.3	Confident	84.3	Confident	44 Å²	44	35.9 Å²	35.9	17%	0.166	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	124.1	-177.5	-169.4	172.7	-167	174.8	3	110.4	A162 T163 L165 S201 K202 L205 E284	A162-R199 WeakPolarHBondContact CA-O 3.36Å; T163-R199 PolarHBondContact N-O 3.37Å; T163-R199 PolarHBondContact O-N 2.94Å; L165-R199 HydrophobicContact CD2-CB 4.3Å; R199-S201 WeakPolarHBondContact CG-O 3.2Å; R199-S201 PolarHBondContact NE-O 3.22Å; R199-K202 PolarHBondContact NE-O 2.96Å; R199-K202 VanDerWaalsContact NE-O 3.12Å; R199-K202 PolarHBondContact NH2-O 2.79Å; R199-L205 HydrophobicContact CB-CD2 3.91Å; R199-L205 HydrophobicContact CG-CD2 4Å; R199-E284 IonicContact CZ-OE1 2.7Å; R199-E284 IonicContact CZ-OE2 3.12Å; R199-E284 IonicContact NH1-OE1 2.81Å; R199-E284 IonicContact NH1-OE2 3.8Å; R199-E284 PolarHBondContact NH1-OE2 3.34Å; R199-E284 VanDerWaalsContact NH2-CD 3.33Å; R199-E284 IonicContact NH2-OE1 3.15Å; R199-E284 PolarHBondContact NH2-OE1 3.01Å; R199-E284 IonicContact NH2-OE2 2.69Å; R199-E284 PolarHBondContact NH2-OE2 2.74Å
200	V	87.8	Confident	84.3	Confident	14 Å²	14	38.5 Å²	38.5	9%	0.085	22%	0.217	C	C	.	.	S	Bend	trans	-106.1	-28.7	179.3	-67.3	0	0	0	0	113	V69 W91 A162 T204 V206	V69-V200 HydrophobicContact CB-CB 4.35Å; V69-V200 HydrophobicContact CG1-CB 4.33Å; V69-V200 HydrophobicContact CG1-CG1 4.29Å; V69-V200 WeakPolarHBondContact CG2-O 3.45Å; W91-V200 HydrophobicContact CH2-CG2 4.49Å; W91-V200 HydrophobicContact CZ3-CG2 4.37Å; A162-V200 HydrophobicContact CB-CG1 3.9Å; V200-T204 HydrophobicContact CG2-CG2 3.84Å; V200-T204 VanDerWaalsContact CG2-O 3.3Å; V200-T204 WeakPolarHBondContact CG2-O 3.39Å; V200-T204 PolarHBondContact N-O 3.1Å; V200-V206 HydrophobicContact CG1-CB 4.3Å; V200-V206 HydrophobicContact CG1-CG2 3.73Å; V200-V206 HydrophobicContact CG2-CG2 4.11Å
201	S	84.2	Confident	84.2	Confident	36 Å²	36	39.9 Å²	39.9	25%	0.252	23%	0.225	S	C	.	.	S	Bend	trans	-144.2	-177.4	171.3	-160.7	0	0	0	0	109.2	E67 R199 D203 T204	E67-S201 PolarHBondContact OE1-OG 2.85Å; R199-S201 WeakPolarHBondContact CG-O 3.2Å; R199-S201 PolarHBondContact NE-O 3.22Å; S201-D203 VanDerWaalsContact C-N 3.34Å; S201-D203 PolarHBondContact O-N 2.79Å; S201-T204 PolarHBondContact N-O 3.4Å; S201-T204 VanDerWaalsContact N-O 3.09Å
202	K	81.6	Confident	83.9	Confident	111 Å²	111	37.6 Å²	37.6	48%	0.483	22%	0.217	S	C	.	.	S	Bend	trans	-55.7	-52.1	-178.9	-169.6	-159.2	165.7	-137	0	110.6	R199	R199-K202 PolarHBondContact NE-O 2.96Å; R199-K202 VanDerWaalsContact NE-O 3.12Å; R199-K202 PolarHBondContact NH2-O 2.79Å
203	D	84.3	Confident	83.9	Confident	62 Å²	62	39.9 Å²	39.9	33%	0.332	23%	0.233	S	C	.	.	S	Bend	trans	-105.7	5.1	-169.4	-46.4	-52.1	0	0	0	112.6	S201 T223 V224	S201-D203 VanDerWaalsContact C-N 3.34Å; S201-D203 PolarHBondContact O-N 2.79Å; D203-T223 CarbonylContact O-C 3.59Å; D203-T223 VanDerWaalsContact O-CA 3.31Å; D203-T223 WeakPolarHBondContact O-CA 3.21Å; D203-T223 WeakPolarHBondContact O-CG2 3.26Å; D203-V224 PolarHBondContact O-N 2.56Å
204	T	86.9	Confident	83.8	Confident	4 Å²	4	40.2 Å²	40.2	3%	0.025	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	132.8	-177.4	-56	0	0	0	0	112.8	W91 V200 S201 T223	W91-T204 HydrophobicContact CD2-CG2 4.14Å; W91-T204 HydrophobicContact CH2-CG2 4.19Å; W91-T204 HydrophobicContact CZ2-CG2 3.7Å; W91-T204 VanDerWaalsContact CZ2-OG1 3.24Å; W91-T204 WeakPolarHBondContact CZ2-OG1 3.35Å; V200-T204 HydrophobicContact CG2-CG2 3.84Å; V200-T204 VanDerWaalsContact CG2-O 3.3Å; V200-T204 WeakPolarHBondContact CG2-O 3.39Å; V200-T204 PolarHBondContact N-O 3.1Å; S201-T204 PolarHBondContact N-O 3.4Å; S201-T204 VanDerWaalsContact N-O 3.09Å; T204-T223 PolarHBondContact OG1-OG1 2.94Å
205	L	90	Very high	83.8	Confident	3 Å²	3	39.3 Å²	39.3	2%	0.016	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	158.8	177.2	-54	174	0	0	0	110.2	L165 V197 Q198 R199 H221 L222 C271 F275	L165-L205 HydrophobicContact CD1-CD2 4.22Å; V197-L205 HydrophobicContact CG1-CB 4.25Å; V197-L205 HydrophobicContact CG1-CD1 4.04Å; V197-L205 HydrophobicContact CG1-CD2 4.44Å; V197-L205 HydrophobicContact CG1-CG 4.48Å; Q198-L205 CarbonylContact O-C 3.43Å; Q198-L205 WeakPolarHBondContact O-CA 3.48Å; R199-L205 HydrophobicContact CB-CD2 3.91Å; R199-L205 HydrophobicContact CG-CD2 4Å; L205-H221 WeakPolarHBondContact O-CA 3.42Å; L205-L222 PolarHBondContact N-O 3.01Å; L205-L222 PolarHBondContact O-N 3.01Å; L205-C271 HydrophobicContact CD1-CB 3.96Å; L205-C271 WeakPolarHBondContact CD1-SG 3.31Å; L205-F275 HydrophobicContact CD1-CE1 4.13Å; L205-F275 HydrophobicContact CD1-CE2 4.45Å; L205-F275 HydrophobicContact CD1-CZ 3.71Å; L205-F275 HydrophobicContact CD2-CE1 4.42Å
206	V	91.3	Very high	83.3	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	135.3	160.6	168.6	0	0	0	0	108.1	F93 V197 Q198 V200 L219 L220	F93-V206 HydrophobicContact CE1-CG1 4.08Å; F93-V206 HydrophobicContact CE1-CG2 3.98Å; F93-V206 HydrophobicContact CZ-CG1 4.07Å; F93-V206 HydrophobicContact CZ-CG2 4.14Å; V197-V206 WeakPolarHBondContact CA-O 3.25Å; Q198-V206 HydrophobicContact CG-CB 4.18Å; Q198-V206 HydrophobicContact CG-CG1 4.47Å; Q198-V206 PolarHBondContact N-O 3.29Å; Q198-V206 PolarHBondContact O-N 2.91Å; V200-V206 HydrophobicContact CG1-CB 4.3Å; V200-V206 HydrophobicContact CG1-CG2 3.73Å; V200-V206 HydrophobicContact CG2-CG2 4.11Å; V206-L219 HydrophobicContact CG1-CB 4.17Å; V206-L219 HydrophobicContact CG1-CD2 3.77Å; V206-L219 HydrophobicContact CG1-CG 4.44Å; V206-L220 CarbonylContact C-O 3.59Å; V206-L220 VanDerWaalsContact CA-O 3.28Å; V206-L220 WeakPolarHBondContact CA-O 3.32Å
207	V	89.8	Confident	83	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	139.9	-175.1	-172.7	0	0	0	0	108.6	L196 V197 L220 L222 H267 A270 C271	L196-V207 WeakPolarHBondContact O-CA 3.48Å; V197-V207 HydrophobicContact CG1-CG2 4.3Å; V197-V207 HydrophobicContact CG2-CG1 4.2Å; V197-V207 HydrophobicContact CG2-CG2 4.36Å; V207-L220 PolarHBondContact N-O 3.17Å; V207-L220 PolarHBondContact O-N 3.18Å; V207-L222 HydrophobicContact CG2-CB 4.23Å; V207-H267 HydrophobicContact CB-CB 4.43Å; V207-H267 HydrophobicContact CG1-CB 4.04Å; V207-A270 HydrophobicContact CG1-CB 3.77Å; V207-C271 VanDerWaalsContact CG2-SG 3.55Å
208	K	88.2	Confident	82.7	Confident	20 Å²	20	43 Å²	43	9%	0.087	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	146	170.8	-70.5	-174.4	171.4	-176.3	0	111.8	S192 P193 G194 P195 L196 G218 L219	S192-K208 PolarHBondContact O-NZ 2.97Å; S192-K208 PolarHBondContact OG-NZ 2.82Å; P193-K208 PolarHBondContact O-NZ 2.84Å; G194-K208 PolarHBondContact O-NZ 3.1Å; P195-K208 WeakPolarHBondContact O-CE 3.4Å; L196-K208 HydrophobicContact CD1-CB 4.35Å; L196-K208 PolarHBondContact O-N 2.87Å; K208-G218 CarbonylContact C-O 3.55Å; K208-G218 WeakPolarHBondContact CA-O 3.47Å; K208-L219 HydrophobicContact CG-CD2 4.27Å
209	C	86.6	Confident	82.5	Confident	11 Å²	11	43.6 Å²	43.6	7%	0.074	24%	0.238	C	C	.	.			trans	-144.9	172.1	173.2	70.4	0	0	0	0	110.7	G218 L220 H267	C209-G218 PolarHBondContact N-O 3.4Å; C209-G218 CarbonylContact O-C 3.54Å; C209-G218 WeakPolarHBondContact O-CA 3.37Å; C209-L220 HydrophobicContact CB-CD1 3.74Å; C209-L220 HydrophobicContact CB-CG 4.15Å; C209-H267 WeakPolarHBondContact CB-NE2 3.27Å
210	H	82	Confident	82.5	Confident	82 Å²	82	41.7 Å²	41.7	38%	0.38	23%	0.232	S	C	.	.			trans	-61.8	150.1	167.9	-56.8	112.6	0	0	0	111	D212	H210-D212 PolarHBondContact O-N 3.25Å; H210-D212 VanDerWaalsContact O-N 3.15Å
211	T	80.8	Confident	82.5	Confident	110 Å²	110	41.4 Å²	41.4	68%	0.675	23%	0.229	S	C	*	.			trans	-81.1	89.9	-177	35.7	0	0	0	0	111.7
212	D	74.1	Confident	82.7	Confident	78 Å²	78	39.7 Å²	39.7	42%	0.417	22%	0.217	S	C	.	.	B	Isolated β-bridge	trans	-85.8	162.3	178	-63.4	-47	0	0	0	113.1	H210 Q214 H215	H210-D212 PolarHBondContact O-N 3.25Å; H210-D212 VanDerWaalsContact O-N 3.15Å; D212-Q214 PolarHBondContact O-N 3.11Å; D212-Q214 VanDerWaalsContact O-N 3.11Å; D212-H215 HydrophobicContact CB-CB 4.16Å; D212-H215 CarbonylContact O-C 3.27Å; D212-H215 PolarHBondContact O-N 3.43Å; D212-H215 IonicContact OD2-CE1 2.69Å; D212-H215 IonicContact OD2-CG 3.58Å; D212-H215 IonicContact OD2-ND1 3.55Å; D212-H215 PolarHBondContact OD2-ND1 3.15Å
213	S	70.9	Confident	82.9	Confident	96 Å²	96	36 Å²	36	67%	0.671	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-15.4	166.1	63.8	0	0	0	0	114.5
214	Q	66	Low	82.9	Confident	94 Å²	94	33.1 Å²	33.1	44%	0.439	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-18.9	169.6	-59.5	-59.9	-76.4	0	0	112.9	D212	D212-Q214 PolarHBondContact O-N 3.11Å; D212-Q214 VanDerWaalsContact O-N 3.11Å
215	H	76.9	Confident	82.4	Confident	24 Å²	24	35.1 Å²	35.1	11%	0.111	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-137.1	59.5	-168.2	-43	124.5	0	0	0	110.6	D212 L217 G218 L220 S244	D212-H215 HydrophobicContact CB-CB 4.16Å; D212-H215 CarbonylContact O-C 3.27Å; D212-H215 PolarHBondContact O-N 3.43Å; D212-H215 IonicContact OD2-CE1 2.69Å; D212-H215 IonicContact OD2-CG 3.58Å; D212-H215 IonicContact OD2-ND1 3.55Å; D212-H215 PolarHBondContact OD2-ND1 3.15Å; H215-L217 PolarHBondContact O-N 2.86Å; H215-G218 PolarHBondContact O-N 3.45Å; H215-L220 VanDerWaalsContact CD2-CD2 3.46Å; H215-L220 WeakPolarHBondContact CD2-CD2 3.37Å; H215-S244 PolarHBondContact CE1-OG 2.9Å; H215-S244 PolarHBondContact NE2-OG 2.81Å
216	P	74.8	Confident	81.2	Confident	73 Å²	73	38.6 Å²	38.6	47%	0.474	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-24.4	-168.3	24.3	-35.2	0	0	0	114.1	F121 G218	F121-P216 HydrophobicContact CD1-CG 4.15Å; F121-P216 HydrophobicContact CE1-CG 3.76Å; F121-P216 HydrophobicContact CZ-CG 4.32Å; P216-G218 VanDerWaalsContact C-N 3.35Å
217	L	78	Confident	79.6	Confident	30 Å²	30	42.6 Å²	42.6	16%	0.157	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	0.1	178.3	-56.9	177.3	0	0	0	114.1	V78 F93 E95 F121 H215 L219	V78-L217 HydrophobicContact CG1-CD1 3.98Å; V78-L217 HydrophobicContact CG2-CD1 4.41Å; F93-L217 HydrophobicContact CB-CD1 3.62Å; F93-L217 HydrophobicContact CG-CD1 4.13Å; E95-L217 HydrophobicContact CB-CD2 4.35Å; E95-L217 HydrophobicContact CG-CD2 4.35Å; F121-L217 HydrophobicContact CD2-CD1 3.87Å; F121-L217 HydrophobicContact CD2-CG 4.47Å; F121-L217 HydrophobicContact CE2-CD1 3.86Å; F121-L217 HydrophobicContact CE2-CD2 4.19Å; F121-L217 HydrophobicContact CE2-CG 4.14Å; H215-L217 PolarHBondContact O-N 2.86Å; L217-L219 HydrophobicContact CB-CD1 4.38Å; L217-L219 WeakPolarHBondContact O-CG 3.46Å; L217-L219 PolarHBondContact O-N 3.08Å
218	G	83.4	Confident	77.6	Confident	8 Å²	8	50.4 Å²	50.4	8%	0.082	28%	0.279	C	S	.	.	S	Bend	trans	63.3	28	-178.2	0	0	0	0	0	114.1	K208 C209 H215 P216	K208-G218 CarbonylContact C-O 3.55Å; K208-G218 WeakPolarHBondContact CA-O 3.47Å; C209-G218 PolarHBondContact N-O 3.4Å; C209-G218 CarbonylContact O-C 3.54Å; C209-G218 WeakPolarHBondContact O-CA 3.37Å; H215-G218 PolarHBondContact O-N 3.45Å; P216-G218 VanDerWaalsContact C-N 3.35Å
219	L	86.7	Confident	75.6	Confident	15 Å²	15	52.9 Å²	52.9	8%	0.079	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	139.8	-173.1	-67.7	166	0	0	0	111.6	V71 T73 V78 F93 V206 K208 L217	V71-L219 HydrophobicContact CG1-CD1 3.89Å; T73-L219 HydrophobicContact CG2-CD1 4.25Å; V78-L219 HydrophobicContact CG1-CD1 4Å; F93-L219 HydrophobicContact CE1-CB 4.11Å; F93-L219 HydrophobicContact CE2-CB 4.04Å; F93-L219 VanDerWaalsContact CE2-O 3.26Å; F93-L219 WeakPolarHBondContact CE2-O 3.5Å; F93-L219 HydrophobicContact CZ-CB 3.67Å; V206-L219 HydrophobicContact CG1-CB 4.17Å; V206-L219 HydrophobicContact CG1-CD2 3.77Å; V206-L219 HydrophobicContact CG1-CG 4.44Å; K208-L219 HydrophobicContact CG-CD2 4.27Å; L217-L219 HydrophobicContact CB-CD1 4.38Å; L217-L219 WeakPolarHBondContact O-CG 3.46Å; L217-L219 PolarHBondContact O-N 3.08Å
220	L	87.9	Confident	73.7	Confident	5 Å²	5	62.4 Å²	62.4	3%	0.026	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	145.8	179.2	-70	170.9	0	0	0	112.2	V206 V207 C209 H215 C241 H267	V206-L220 CarbonylContact C-O 3.59Å; V206-L220 VanDerWaalsContact CA-O 3.28Å; V206-L220 WeakPolarHBondContact CA-O 3.32Å; V207-L220 PolarHBondContact N-O 3.17Å; V207-L220 PolarHBondContact O-N 3.18Å; C209-L220 HydrophobicContact CB-CD1 3.74Å; C209-L220 HydrophobicContact CB-CG 4.15Å; H215-L220 VanDerWaalsContact CD2-CD2 3.46Å; H215-L220 WeakPolarHBondContact CD2-CD2 3.37Å; L220-C241 HydrophobicContact CD1-CB 3.85Å; L220-H267 WeakPolarHBondContact CD1-CE1 3.29Å
221	H	88.2	Confident	71.8	Confident	8 Å²	8	68.3 Å²	68.3	4%	0.037	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	138.1	166.1	-61.7	92.8	0	0	0	111.3	S80 W91 G92 F93 L205 S240	S80-H221 PolarHBondContact OG-NE2 3.4Å; W91-H221 HydrophobicContact CB-CB 4.23Å; W91-H221 AromaticContact CE3-CD2 3.99Å; G92-H221 PolarHBondContact O-CE1 2.74Å; F93-H221 AromaticContact CD2-CE1 3.87Å; F93-H221 AromaticContact CE1-CE1 3.55Å; F93-H221 AromaticContact CE1-NE2 3.75Å; F93-H221 AromaticContact CE2-CE1 3.39Å; F93-H221 WeakPolarHBondContact CE2-CE1 3.5Å; F93-H221 AromaticContact CE2-ND1 3.65Å; F93-H221 AromaticContact CZ-CE1 3.21Å; F93-H221 WeakPolarHBondContact CZ-CE1 3.41Å; F93-H221 AromaticContact CZ-ND1 3.66Å; F93-H221 AromaticContact CZ-NE2 3.71Å; L205-H221 WeakPolarHBondContact O-CA 3.42Å; H221-S240 PolarHBondContact O-N 3.4Å; H221-S240 PolarHBondContact O-OG 3.49Å
222	L	88.3	Confident	70.2	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	126	165.8	-168.2	151.5	0	0	0	108.8	L205 V207 V224 H238 C239 H267 F288	L205-L222 PolarHBondContact N-O 3.01Å; L205-L222 PolarHBondContact O-N 3.01Å; V207-L222 HydrophobicContact CG2-CB 4.23Å; L222-V224 HydrophobicContact CD2-CG2 3.59Å; L222-H238 CarbonylContact C-O 3.56Å; L222-H238 WeakPolarHBondContact CA-O 3.39Å; L222-C239 HydrophobicContact CD1-CB 4.06Å; L222-C239 HydrophobicContact CG-CB 4.35Å; L222-H267 HydrophobicContact CD1-CB 4.31Å; L222-F288 HydrophobicContact CD2-CE2 4.45Å; L222-F288 HydrophobicContact CD2-CZ 4.46Å
223	T	86.6	Confident	68.9	Low	34 Å²	34	69.4 Å²	69.4	21%	0.209	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	133.5	178.9	-62.1	0	0	0	0	110.1	D203 T204 F237 H238	D203-T223 CarbonylContact O-C 3.59Å; D203-T223 VanDerWaalsContact O-CA 3.31Å; D203-T223 WeakPolarHBondContact O-CA 3.21Å; D203-T223 WeakPolarHBondContact O-CG2 3.26Å; T204-T223 PolarHBondContact OG1-OG1 2.94Å; T223-F237 CarbonylContact O-C 3.5Å; T223-F237 WeakPolarHBondContact O-CA 3.39Å; T223-H238 PolarHBondContact N-O 3.49Å; T223-H238 PolarHBondContact O-N 2.85Å
224	V	83.6	Confident	68.2	Low	1 Å²	1	73.8 Å²	73.8	1%	0.006	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	97	179.8	-176.1	0	0	0	0	108.8	D203 L222 F285 F288	D203-V224 PolarHBondContact O-N 2.56Å; L222-V224 HydrophobicContact CD2-CG2 3.59Å; V224-F285 HydrophobicContact CB-CD1 4.44Å; V224-F285 HydrophobicContact CB-CE1 4.22Å; V224-F285 HydrophobicContact CG1-CD1 4.04Å; V224-F285 HydrophobicContact CG1-CE1 4.23Å; V224-F288 HydrophobicContact CB-CD2 4.37Å; V224-F288 HydrophobicContact CG1-CB 4.1Å; V224-F288 HydrophobicContact CG1-CD2 3.58Å; V224-F288 HydrophobicContact CG1-CE2 4.26Å; V224-F288 HydrophobicContact CG1-CG 4.03Å; V224-F288 HydrophobicContact CG2-CD2 3.82Å; V224-F288 HydrophobicContact CG2-CE2 3.62Å; V224-F288 HydrophobicContact CG2-CG 4.49Å; V224-F288 HydrophobicContact CG2-CZ 4.16Å
225	A	76.5	Confident	68	Low	45 Å²	45	69.9 Å²	69.9	37%	0.372	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	112.9	177.7	0	0	0	0	0	110.4	I227 S235 V236	A225-I227 PolarHBondContact O-N 3.33Å; A225-S235 WeakPolarHBondContact O-CA 3.39Å; A225-V236 PolarHBondContact N-O 3.15Å; A225-V236 PolarHBondContact O-N 3.17Å
226	Q	64.2	Low	67.9	Low	77 Å²	77	72 Å²	72	36%	0.36	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	115.5	168.3	-68.3	176.8	-24.1	0	0	109	E284	Q226-E284 PolarHBondContact NE2-O 2.93Å
227	I	58.3	Low	68.1	Low	84 Å²	84	68.9 Å²	68.9	43%	0.431	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	95.8	172.2	-50.1	-175.8	0	0	0	107.9	A225 T229 R234 V236	A225-I227 PolarHBondContact O-N 3.33Å; I227-T229 HydrophobicContact CG2-CG2 3.82Å; I227-T229 PolarHBondContact O-N 2.95Å; I227-R234 PolarHBondContact N-O 2.95Å; I227-R234 VanDerWaalsContact N-O 3.09Å; I227-V236 HydrophobicContact CD1-CB 4.29Å; I227-V236 HydrophobicContact CD1-CG2 3.62Å; I227-V236 HydrophobicContact CG1-CG2 4.27Å
228	E	47.5	Very low	68.2	Low	164 Å²	164	71.6 Å²	71.6	77%	0.766	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	110.8	169.9	-66.7	-178.8	170.8	0	0	109.1
229	T	46.5	Very low	68.2	Low	72 Å²	72	71.2 Å²	71.2	44%	0.442	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	141.2	169	77.8	0	0	0	0	108.8	I227 K231 N232	I227-T229 HydrophobicContact CG2-CG2 3.82Å; I227-T229 PolarHBondContact O-N 2.95Å; T229-K231 PolarHBondContact O-N 2.92Å; T229-N232 PolarHBondContact O-N 3.21Å; T229-N232 PolarHBondContact OG1-N 3.13Å; T229-N232 PolarHBondContact OG1-O 3.06Å
230	Q	45.5	Very low	67.9	Low	210 Å²	210	72 Å²	72	98%	0.981	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-0.8	-168.5	-67.1	-174.4	-10	0	0	116.2
231	K	43	Very low	67.4	Low	206 Å²	206	72.7 Å²	72.7	90%	0.896	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.8	-3.2	174.5	-66.5	-169.4	176.3	-175.9	0	115.1	T229	T229-K231 PolarHBondContact O-N 2.92Å
232	N	47.3	Very low	66.5	Low	101 Å²	101	75.4 Å²	75.4	54%	0.54	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	138.3	171.7	-150	-21.1	0	0	0	112.7	T229 R234	T229-N232 PolarHBondContact O-N 3.21Å; T229-N232 PolarHBondContact OG1-N 3.13Å; T229-N232 PolarHBondContact OG1-O 3.06Å; N232-R234 PolarHBondContact O-N 3.26Å
233	N	47.2	Very low	65	Low	110 Å²	110	80.8 Å²	80.8	59%	0.588	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	96.4	175.2	-78.5	-5.8	0	0	0	110
234	R	55.7	Low	63.1	Low	188 Å²	188	80.3 Å²	80.3	71%	0.709	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	114.1	175.3	-82	-176.7	148.4	178.4	-7.8	110.6	I227 N232	I227-R234 PolarHBondContact N-O 2.95Å; I227-R234 VanDerWaalsContact N-O 3.09Å; N232-R234 PolarHBondContact O-N 3.26Å
235	S	61.9	Low	61.1	Low	12 Å²	12	84 Å²	84	8%	0.084	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	119.7	165.5	52.6	0	0	0	0	110	A225 A287 F288	A225-S235 WeakPolarHBondContact O-CA 3.39Å; S235-A287 PolarHBondContact OG-O 3.48Å; S235-F288 VanDerWaalsContact OG-CA 3.28Å; S235-F288 WeakPolarHBondContact OG-CA 3.36Å; S235-F288 PolarHBondContact OG-N 3.37Å
236	V	74.4	Confident	59.4	Low	68 Å²	68	84.8 Å²	84.8	41%	0.412	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	130.4	169.9	178.4	0	0	0	0	107.8	A225 I227	A225-V236 PolarHBondContact N-O 3.15Å; A225-V236 PolarHBondContact O-N 3.17Å; I227-V236 HydrophobicContact CD1-CB 4.29Å; I227-V236 HydrophobicContact CD1-CG2 3.62Å; I227-V236 HydrophobicContact CG1-CG2 4.27Å
237	F	79.1	Confident	58.1	Low	8 Å²	8	90.2 Å²	90.2	4%	0.035	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	154.8	178	76.1	-92.1	0	0	0	112.3	T223 S262 F268 F288 Y291	T223-F237 CarbonylContact O-C 3.5Å; T223-F237 WeakPolarHBondContact O-CA 3.39Å; F237-S262 VanDerWaalsContact CE1-CB 3.43Å; F237-S262 WeakPolarHBondContact CE1-O 3.27Å; F237-S262 WeakPolarHBondContact CZ-O 3.34Å; F237-F268 AromaticContact CD1-CD2 3.72Å; F237-F268 HydrophobicContact CD1-CD2 3.72Å; F237-F268 AromaticContact CD1-CE2 3.84Å; F237-F268 HydrophobicContact CD1-CE2 3.84Å; F237-F268 HydrophobicContact CD2-CD2 4Å; F237-F268 AromaticContact CE1-CD2 3.45Å; F237-F268 HydrophobicContact CE1-CD2 3.45Å; F237-F268 VanDerWaalsContact CE1-CD2 3.45Å; F237-F268 AromaticContact CE1-CE2 3.63Å; F237-F268 HydrophobicContact CE1-CE2 3.63Å; F237-F268 HydrophobicContact CE1-CG 4.31Å; F237-F268 HydrophobicContact CE2-CB 3.94Å; F237-F268 AromaticContact CE2-CD2 3.76Å; F237-F268 HydrophobicContact CE2-CD2 3.76Å; F237-F268 HydrophobicContact CE2-CG 4.17Å; F237-F268 AromaticContact CG-CD2 3.98Å; F237-F268 HydrophobicContact CG-CD2 3.98Å; F237-F268 HydrophobicContact CG-CE2 4.47Å; F237-F268 HydrophobicContact CZ-CB 4.14Å; F237-F268 AromaticContact CZ-CD2 3.48Å; F237-F268 HydrophobicContact CZ-CD2 3.48Å; F237-F268 VanDerWaalsContact CZ-CD2 3.48Å; F237-F268 HydrophobicContact CZ-CE2 4.12Å; F237-F268 AromaticContact CZ-CG 3.94Å; F237-F268 HydrophobicContact CZ-CG 3.94Å; F237-F288 HydrophobicContact CB-CD2 4.13Å; F237-F288 HydrophobicContact CB-CE2 3.67Å; F237-F288 HydrophobicContact CD1-CE2 4.16Å; F237-F288 AromaticContact CG-CE2 3.96Å; F237-F288 HydrophobicContact CG-CE2 3.96Å; F237-Y291 HydrophobicContact CE1-CD1 4.16Å; F237-Y291 AromaticContact CE1-CE1 3.87Å; F237-Y291 HydrophobicContact CE1-CE1 3.87Å
238	H	81.2	Confident	56.8	Low	88 Å²	88	92.1 Å²	92.1	41%	0.407	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	113	-179.9	-179.2	61.9	0	0	0	109.8	L222 T223	L222-H238 CarbonylContact C-O 3.56Å; L222-H238 WeakPolarHBondContact CA-O 3.39Å; T223-H238 PolarHBondContact N-O 3.49Å; T223-H238 PolarHBondContact O-N 2.85Å
239	C	82.9	Confident	55.9	Low	0 Å²	0	91.6 Å²	91.6	0%	0	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	134.6	172.5	179.6	0	0	0	0	110	L222 C241 Q242	L222-C239 HydrophobicContact CD1-CB 4.06Å; L222-C239 HydrophobicContact CG-CB 4.35Å; C239-C241 HydrophobicContact CB-CB 4.41Å; C239-C241 WeakPolarHBondContact CB-SG 3.31Å; C239-C241 PolarHBondContact O-N 3.4Å; C239-C241 VanDerWaalsContact O-N 3.12Å; C239-C241 WeakPolarHBondContact SG-CB 3.28Å; C239-C241 PolarHBondContact SG-N 2.98Å; C239-C241 CovalentContact SG-SG 2.05Å; C239-C241 PolarHBondContact SG-SG 3.4Å; C239-Q242 HydrophobicContact CB-CG 4.23Å; C239-Q242 WeakPolarHBondContact O-CB 3.16Å; C239-Q242 PolarHBondContact O-N 2.88Å
240	S	80.8	Confident	55.2	Low	31 Å²	31	96.9 Å²	96.9	22%	0.217	49%	0.485	C	S	.	.	H	α-helix	trans	-56	-29.4	171.5	-66.6	0	0	0	0	112.5	H221 Q242 L243 S244	H221-S240 PolarHBondContact O-N 3.4Å; H221-S240 PolarHBondContact O-OG 3.49Å; S240-Q242 VanDerWaalsContact C-N 3.25Å; S240-Q242 PolarHBondContact O-N 3.12Å; S240-L243 WeakPolarHBondContact O-CB 3.42Å; S240-L243 PolarHBondContact O-N 2.93Å; S240-S244 PolarHBondContact O-N 3.29Å
241	C	75.8	Confident	54.3	Low	19 Å²	19	89.7 Å²	89.7	13%	0.128	47%	0.468	C	S	.	.	H	α-helix	trans	-56.3	-33.4	172.2	61.9	0	0	0	0	114.4	L220 C239 L243 S244 A245 C265 H267	L220-C241 HydrophobicContact CD1-CB 3.85Å; C239-C241 HydrophobicContact CB-CB 4.41Å; C239-C241 WeakPolarHBondContact CB-SG 3.31Å; C239-C241 PolarHBondContact O-N 3.4Å; C239-C241 VanDerWaalsContact O-N 3.12Å; C239-C241 WeakPolarHBondContact SG-CB 3.28Å; C239-C241 PolarHBondContact SG-N 2.98Å; C239-C241 CovalentContact SG-SG 2.05Å; C239-C241 PolarHBondContact SG-SG 3.4Å; C241-L243 VanDerWaalsContact C-N 3.26Å; C241-L243 PolarHBondContact O-N 2.87Å; C241-S244 PolarHBondContact O-N 3.02Å; C241-A245 WeakPolarHBondContact O-CB 3.36Å; C241-A245 PolarHBondContact O-N 2.86Å; C241-C265 PolarHBondContact SG-SG 3.41Å; C241-H267 PolarHBondContact SG-ND1 2.97Å
242	Q	70.4	Confident	53.8	Low	66 Å²	66	83.3 Å²	83.3	31%	0.308	45%	0.453	S	S	.	.	H	α-helix	trans	-73.5	-18.9	179.3	-70.1	164.8	-30.6	0	0	112.2	C239 S240 Q263	C239-Q242 HydrophobicContact CB-CG 4.23Å; C239-Q242 WeakPolarHBondContact O-CB 3.16Å; C239-Q242 PolarHBondContact O-N 2.88Å; S240-Q242 VanDerWaalsContact C-N 3.25Å; S240-Q242 PolarHBondContact O-N 3.12Å; Q242-Q263 PolarHBondContact NE2-O 2.75Å
243	L	57.4	Low	53	Low	112 Å²	112	85.6 Å²	85.6	59%	0.586	47%	0.465	S	S	*	.	H	α-helix	trans	-78.2	-39.5	169.2	-61.1	173.9	0	0	0	111.2	S240 C241 G246	S240-L243 WeakPolarHBondContact O-CB 3.42Å; S240-L243 PolarHBondContact O-N 2.93Å; C241-L243 VanDerWaalsContact C-N 3.26Å; C241-L243 PolarHBondContact O-N 2.87Å; L243-G246 PolarHBondContact O-N 2.7Å
244	S	45.4	Very low	52.7	Low	25 Å²	25	84.5 Å²	84.5	18%	0.175	48%	0.48	C	S	.	.	H	α-helix	trans	-76.1	-29	-177.7	-54.7	0	0	0	0	113.4	H215 S240 C241 G246 R247	H215-S244 PolarHBondContact CE1-OG 2.9Å; H215-S244 PolarHBondContact NE2-OG 2.81Å; S240-S244 PolarHBondContact O-N 3.29Å; C241-S244 PolarHBondContact O-N 3.02Å; S244-G246 PolarHBondContact O-N 3.42Å; S244-G246 VanDerWaalsContact O-N 3.15Å; S244-R247 PolarHBondContact O-N 2.86Å
245	A	43.2	Very low	51.4	Low	77 Å²	77	79.6 Å²	79.6	64%	0.636	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-21.4	173.6	0	0	0	0	0	113.5	C241 R247	C241-A245 WeakPolarHBondContact O-CB 3.36Å; C241-A245 PolarHBondContact O-N 2.86Å; A245-R247 PolarHBondContact O-N 2.76Å
246	G	40.6	Very low	49.9	Very low	62 Å²	62	83 Å²	83	64%	0.639	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	8.3	171.4	0	0	0	0	0	115.3	L243 S244	L243-G246 PolarHBondContact O-N 2.7Å; S244-G246 PolarHBondContact O-N 3.42Å; S244-G246 VanDerWaalsContact O-N 3.15Å
247	R	36.4	Very low	47.7	Very low	192 Å²	192	84.6 Å²	84.6	73%	0.725	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.3	-28.1	-178.1	-72.8	-174.8	172	-176.9	-3.7	115.8	S244 A245 K249	S244-R247 PolarHBondContact O-N 2.86Å; A245-R247 PolarHBondContact O-N 2.76Å; R247-K249 PolarHBondContact O-N 3.36Å
248	M	31.3	Very low	45.4	Very low	124 Å²	124	90 Å²	90	61%	0.611	56%	0.559	S	S	*	*			trans	-88.7	81.5	175.7	-84.6	-63.1	-166.8	0	0	111.4
249	K	28.5	Very low	43	Very low	152 Å²	152	91.6 Å²	91.6	66%	0.661	58%	0.577	S	S	*	*			trans	-134.8	110.3	163.6	-164.3	-170.6	176.6	-147	0	108.5	R247 G251 A252	R247-K249 PolarHBondContact O-N 3.36Å; K249-G251 PolarHBondContact O-N 3.34Å; K249-A252 PolarHBondContact NZ-O 2.81Å
250	H	30.7	Very low	40.7	Very low	184 Å²	184	95 Å²	95	85%	0.852	61%	0.605	S	S	*	*			trans	-75.5	115.8	175.8	-85.7	-83.2	0	0	0	110.1
251	G	28.2	Very low	38.8	Very low	59 Å²	59	97.9 Å²	97.9	61%	0.608	63%	0.625	S	S	*	*	S	Bend	trans	83.5	132.6	172.6	0	0	0	0	0	114.8	K249	K249-G251 PolarHBondContact O-N 3.34Å
252	A	31.4	Very low	37.6	Very low	71 Å²	71	98.6 Å²	98.6	59%	0.587	63%	0.631	S	S	*	*	S	Bend	trans	59.2	115.2	171	0	0	0	0	0	118.3	K249	K249-A252 PolarHBondContact NZ-O 2.81Å
253	D	31.6	Very low	37.3	Very low	150 Å²	150	100.2 Å²	100.2	80%	0.802	64%	0.638	S	S	*	*			trans	66.9	127.7	146.8	-49.2	-33.6	0	0	0	119.7	A255	D253-A255 PolarHBondContact O-N 2.97Å
254	G	39.2	Very low	38	Very low	87 Å²	87	95.9 Å²	95.9	90%	0.897	62%	0.617	S	S	*	*			trans	-90.8	102	-167.7	0	0	0	0	0	113.8
255	A	29.9	Very low	39.9	Very low	85 Å²	85	96 Å²	96	70%	0.702	62%	0.617	S	S	*	*			trans	-84.3	113.1	169	0	0	0	0	0	111	D253 S257	D253-A255 PolarHBondContact O-N 2.97Å; A255-S257 VanDerWaalsContact C-N 3.33Å; A255-S257 PolarHBondContact O-N 2.83Å
256	G	29.8	Very low	41.8	Very low	82 Å²	82	93.8 Å²	93.8	85%	0.845	59%	0.594	S	S	*	*			trans	-75.2	78.1	174.7	0	0	0	0	0	112.5	L258	G256-L258 PolarHBondContact O-N 2.85Å
257	S	27.9	Very low	44	Very low	102 Å²	102	92 Å²	92	71%	0.713	57%	0.569	S	S	*	*			trans	-62.8	105.7	-179.2	-61.4	0	0	0	0	112.8	A255	A255-S257 VanDerWaalsContact C-N 3.33Å; A255-S257 PolarHBondContact O-N 2.83Å
258	L	30.2	Very low	46.5	Very low	122 Å²	122	82.8 Å²	82.8	64%	0.639	54%	0.535	S	S	*	.			trans	-58.4	151.1	149.5	-79.9	166	0	0	0	108.8	G256 A260	G256-L258 PolarHBondContact O-N 2.85Å; L258-A260 PolarHBondContact O-N 3Å
259	P	31.6	Very low	49	Very low	121 Å²	121	78.2 Å²	78.2	79%	0.786	51%	0.511	S	S	*	.			trans	-61.5	115.7	-166.6	24.1	-34.4	0	0	0	111.2	S261	P259-S261 PolarHBondContact O-N 3.02Å
260	A	33.6	Very low	51.8	Low	71 Å²	71	71 Å²	71	59%	0.587	48%	0.48	S	S	*	.			trans	-52.5	136.5	173.9	0	0	0	0	0	110	L258 S262	L258-A260 PolarHBondContact O-N 3Å; A260-S262 VanDerWaalsContact O-CA 3.26Å; A260-S262 WeakPolarHBondContact O-CA 3.45Å; A260-S262 PolarHBondContact O-N 3.35Å
261	S	41.2	Very low	54.5	Low	92 Å²	92	62.2 Å²	62.2	64%	0.643	44%	0.439	S	S	*	.	S	Bend	trans	-48.6	106.7	178.6	38.2	0	0	0	0	110.1	P259 Q263	P259-S261 PolarHBondContact O-N 3.02Å; S261-Q263 VanDerWaalsContact C-N 3.29Å; S261-Q263 WeakPolarHBondContact O-CG 3.37Å; S261-Q263 PolarHBondContact O-N 3.19Å
262	S	51.8	Low	57.3	Low	34 Å²	34	59.8 Å²	59.8	24%	0.238	41%	0.412	C	S	.	.			trans	-40	80.9	-143.6	-55.3	0	0	0	0	116.3	F237 A260 Y291	F237-S262 VanDerWaalsContact CE1-CB 3.43Å; F237-S262 WeakPolarHBondContact CE1-O 3.27Å; F237-S262 WeakPolarHBondContact CZ-O 3.34Å; A260-S262 VanDerWaalsContact O-CA 3.26Å; A260-S262 WeakPolarHBondContact O-CA 3.45Å; A260-S262 PolarHBondContact O-N 3.35Å; S262-Y291 WeakPolarHBondContact O-CE1 3.16Å; S262-Y291 PolarHBondContact O-OH 3.38Å
263	Q	62.5	Low	59.9	Low	100 Å²	100	56.4 Å²	56.4	47%	0.467	38%	0.384	S	S	.	.			trans	-64.7	132.4	-175.8	-71.5	-63.9	-13.9	0	0	109.8	Q242 S261 C265	Q242-Q263 PolarHBondContact NE2-O 2.75Å; S261-Q263 VanDerWaalsContact C-N 3.29Å; S261-Q263 WeakPolarHBondContact O-CG 3.37Å; S261-Q263 PolarHBondContact O-N 3.19Å; Q263-C265 PolarHBondContact O-N 2.94Å
264	P	73.5	Confident	62.5	Low	22 Å²	22	49.3 Å²	49.3	14%	0.143	35%	0.347	C	S	.	.			trans	-70.6	102.8	-174.4	29.3	-35.2	0	0	0	110.2	F268 Y269	P264-F268 HydrophobicContact CB-CD1 3.34Å; P264-F268 HydrophobicContact CB-CE1 3.7Å; P264-F268 HydrophobicContact CB-CG 4.07Å; P264-Y269 HydrophobicContact CB-CD2 4.47Å; P264-Y269 HydrophobicContact CB-CE1 3.99Å; P264-Y269 HydrophobicContact CB-CE2 3.85Å; P264-Y269 HydrophobicContact CG-CE1 4.36Å; P264-Y269 HydrophobicContact CG-CE2 4.13Å; P264-Y269 VanDerWaalsContact CG-OH 3.23Å; P264-Y269 WeakPolarHBondContact CG-OH 3.36Å; P264-Y269 VanDerWaalsContact O-CE2 3.3Å; P264-Y269 WeakPolarHBondContact O-CE2 3.21Å
265	C	84.6	Confident	64.7	Low	27 Å²	27	45.2 Å²	45.2	18%	0.182	30%	0.304	C	S	.	.			trans	-73.1	164.9	171.2	60.1	0	0	0	0	111.1	C241 Q263 H267 F268 Y269	C241-C265 PolarHBondContact SG-SG 3.41Å; Q263-C265 PolarHBondContact O-N 2.94Å; C265-H267 PolarHBondContact O-N 2.84Å; C265-H267 VanDerWaalsContact O-N 3.16Å; C265-F268 WeakPolarHBondContact O-CA 3.38Å; C265-F268 WeakPolarHBondContact O-CB 3.41Å; C265-F268 PolarHBondContact O-N 3.04Å; C265-F268 PolarHBondContact SG-N 2.87Å; C265-F268 VanDerWaalsContact SG-N 3.42Å; C265-Y269 WeakPolarHBondContact O-CD2 3.35Å; C265-Y269 PolarHBondContact O-N 3.12Å; C265-Y269 VanDerWaalsContact O-N 3.15Å
266	L	84.2	Confident	67.4	Low	30 Å²	30	43.3 Å²	43.3	16%	0.157	29%	0.286	C	S	.	.	H	α-helix	trans	-53.2	-39.4	176.9	-173	144.6	0	0	0	112.5	E184 L185 L188 F268 Y269 A270	E184-L266 HydrophobicContact CB-CD1 3.46Å; E184-L266 VanDerWaalsContact CB-CD1 3.46Å; E184-L266 HydrophobicContact CG-CD1 4.49Å; E184-L266 WeakPolarHBondContact OE2-CD1 3.4Å; L185-L266 HydrophobicContact CD2-CD2 3.61Å; L185-L266 HydrophobicContact CD2-CG 3.9Å; L185-L266 HydrophobicContact CG-CD1 4.28Å; L185-L266 HydrophobicContact CG-CD2 4.09Å; L185-L266 HydrophobicContact CG-CG 3.92Å; L188-L266 HydrophobicContact CD1-CD2 3.63Å; L266-F268 VanDerWaalsContact C-N 3.33Å; L266-F268 PolarHBondContact O-N 3.27Å; L266-Y269 PolarHBondContact O-N 3.47Å; L266-A270 PolarHBondContact O-N 2.92Å
267	H	86.8	Confident	70	Confident	24 Å²	24	39.6 Å²	39.6	11%	0.111	25%	0.247	C	C	.	.	H	α-helix	trans	-68.1	-27.2	177.3	-45.1	107.1	0	0	0	113.7	V207 C209 L220 L222 C241 C265 C271	V207-H267 HydrophobicContact CB-CB 4.43Å; V207-H267 HydrophobicContact CG1-CB 4.04Å; C209-H267 WeakPolarHBondContact CB-NE2 3.27Å; L220-H267 WeakPolarHBondContact CD1-CE1 3.29Å; L222-H267 HydrophobicContact CD1-CB 4.31Å; C241-H267 PolarHBondContact SG-ND1 2.97Å; C265-H267 PolarHBondContact O-N 2.84Å; C265-H267 VanDerWaalsContact O-N 3.16Å; H267-C271 PolarHBondContact O-N 2.86Å; H267-C271 PolarHBondContact O-SG 3.38Å
268	F	87.2	Confident	72.8	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-67.4	-47.8	169.3	166.2	-85.6	0	0	0	109.9	F237 P264 C265 L266 A270 C271 V272 F288 Y291	F237-F268 AromaticContact CD1-CD2 3.72Å; F237-F268 HydrophobicContact CD1-CD2 3.72Å; F237-F268 AromaticContact CD1-CE2 3.84Å; F237-F268 HydrophobicContact CD1-CE2 3.84Å; F237-F268 HydrophobicContact CD2-CD2 4Å; F237-F268 AromaticContact CE1-CD2 3.45Å; F237-F268 HydrophobicContact CE1-CD2 3.45Å; F237-F268 VanDerWaalsContact CE1-CD2 3.45Å; F237-F268 AromaticContact CE1-CE2 3.63Å; F237-F268 HydrophobicContact CE1-CE2 3.63Å; F237-F268 HydrophobicContact CE1-CG 4.31Å; F237-F268 HydrophobicContact CE2-CB 3.94Å; F237-F268 AromaticContact CE2-CD2 3.76Å; F237-F268 HydrophobicContact CE2-CD2 3.76Å; F237-F268 HydrophobicContact CE2-CG 4.17Å; F237-F268 AromaticContact CG-CD2 3.98Å; F237-F268 HydrophobicContact CG-CD2 3.98Å; F237-F268 HydrophobicContact CG-CE2 4.47Å; F237-F268 HydrophobicContact CZ-CB 4.14Å; F237-F268 AromaticContact CZ-CD2 3.48Å; F237-F268 HydrophobicContact CZ-CD2 3.48Å; F237-F268 VanDerWaalsContact CZ-CD2 3.48Å; F237-F268 HydrophobicContact CZ-CE2 4.12Å; F237-F268 AromaticContact CZ-CG 3.94Å; F237-F268 HydrophobicContact CZ-CG 3.94Å; P264-F268 HydrophobicContact CB-CD1 3.34Å; P264-F268 HydrophobicContact CB-CE1 3.7Å; P264-F268 HydrophobicContact CB-CG 4.07Å; C265-F268 WeakPolarHBondContact O-CA 3.38Å; C265-F268 WeakPolarHBondContact O-CB 3.41Å; C265-F268 PolarHBondContact O-N 3.04Å; C265-F268 PolarHBondContact SG-N 2.87Å; C265-F268 VanDerWaalsContact SG-N 3.42Å; L266-F268 VanDerWaalsContact C-N 3.33Å; L266-F268 PolarHBondContact O-N 3.27Å; F268-A270 VanDerWaalsContact C-N 3.33Å; F268-A270 PolarHBondContact O-N 3.3Å; F268-C271 WeakPolarHBondContact O-CA 2.99Å; F268-C271 WeakPolarHBondContact O-CB 3.29Å; F268-C271 PolarHBondContact O-N 3.06Å; F268-V272 HydrophobicContact CD1-CG2 4.05Å; F268-V272 HydrophobicContact CE1-CG2 3.55Å; F268-V272 HydrophobicContact CE2-CG2 4.22Å; F268-V272 HydrophobicContact CZ-CG2 3.64Å; F268-V272 PolarHBondContact O-N 3.18Å; F268-F288 HydrophobicContact CD2-CD2 4.38Å; F268-F288 HydrophobicContact CD2-CE1 4.18Å; F268-F288 AromaticContact CD2-CE2 3.45Å; F268-F288 HydrophobicContact CD2-CE2 3.45Å; F268-F288 VanDerWaalsContact CD2-CE2 3.45Å; F268-F288 AromaticContact CD2-CZ 3.34Å; F268-F288 HydrophobicContact CD2-CZ 3.34Å; F268-F288 HydrophobicContact CE2-CD1 4.39Å; F268-F288 AromaticContact CE2-CD2 3.91Å; F268-F288 HydrophobicContact CE2-CD2 3.91Å; F268-F288 AromaticContact CE2-CE1 3.95Å; F268-F288 HydrophobicContact CE2-CE1 3.95Å; F268-F288 AromaticContact CE2-CE2 3.42Å; F268-F288 HydrophobicContact CE2-CE2 3.42Å; F268-F288 VanDerWaalsContact CE2-CE2 3.42Å; F268-F288 HydrophobicContact CE2-CG 4.38Å; F268-F288 AromaticContact CE2-CZ 3.45Å; F268-F288 HydrophobicContact CE2-CZ 3.45Å; F268-F288 VanDerWaalsContact CE2-CZ 3.45Å; F268-F288 HydrophobicContact CG-CZ 4.23Å; F268-F288 HydrophobicContact CZ-CZ 4.42Å; F268-Y291 HydrophobicContact CE2-CD1 4.1Å; F268-Y291 AromaticContact CZ-CD1 3.92Å; F268-Y291 HydrophobicContact CZ-CD1 3.92Å
269	Y	85.3	Confident	75.2	Confident	27 Å²	27	39.8 Å²	39.8	11%	0.106	24%	0.235	C	C	.	.	H	α-helix	trans	-61.5	-38.5	177	-69.3	-58.6	0	0	0	112.5	L175 A177 P264 C265 L266 C271 V272 C273	L175-Y269 HydrophobicContact CD1-CD1 4.14Å; L175-Y269 HydrophobicContact CD2-CD1 3.97Å; L175-Y269 HydrophobicContact CD2-CG 4.16Å; L175-Y269 HydrophobicContact CG-CD1 4.36Å; A177-Y269 HydrophobicContact CB-CD1 4.14Å; A177-Y269 HydrophobicContact CB-CD2 4.43Å; A177-Y269 HydrophobicContact CB-CE1 3.86Å; A177-Y269 HydrophobicContact CB-CE2 4.19Å; A177-Y269 HydrophobicContact CB-CG 4.4Å; P264-Y269 HydrophobicContact CB-CD2 4.47Å; P264-Y269 HydrophobicContact CB-CE1 3.99Å; P264-Y269 HydrophobicContact CB-CE2 3.85Å; P264-Y269 HydrophobicContact CG-CE1 4.36Å; P264-Y269 HydrophobicContact CG-CE2 4.13Å; P264-Y269 VanDerWaalsContact CG-OH 3.23Å; P264-Y269 WeakPolarHBondContact CG-OH 3.36Å; P264-Y269 VanDerWaalsContact O-CE2 3.3Å; P264-Y269 WeakPolarHBondContact O-CE2 3.21Å; C265-Y269 WeakPolarHBondContact O-CD2 3.35Å; C265-Y269 PolarHBondContact O-N 3.12Å; C265-Y269 VanDerWaalsContact O-N 3.15Å; L266-Y269 PolarHBondContact O-N 3.47Å; Y269-C271 VanDerWaalsContact C-N 3.29Å; Y269-C271 PolarHBondContact O-N 3.01Å; Y269-V272 PolarHBondContact O-N 3.02Å; Y269-C273 PolarHBondContact O-N 3.12Å; Y269-C273 PolarHBondContact O-SG 2.83Å
270	A	87	Confident	77.7	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.008	23%	0.233	C	C	.	.	H	α-helix	trans	-55.2	-44.7	171.1	0	0	0	0	0	111.9	L185 L196 V197 V207 L266 F268 C273 A274	L185-A270 HydrophobicContact CD2-CB 3.56Å; L196-A270 HydrophobicContact CD2-CB 4.01Å; L196-A270 HydrophobicContact CG-CB 4.32Å; V197-A270 HydrophobicContact CG2-CB 3.94Å; V207-A270 HydrophobicContact CG1-CB 3.77Å; L266-A270 PolarHBondContact O-N 2.92Å; F268-A270 VanDerWaalsContact C-N 3.33Å; F268-A270 PolarHBondContact O-N 3.3Å; A270-C273 PolarHBondContact O-N 2.85Å; A270-A274 WeakPolarHBondContact O-CB 3.49Å; A270-A274 PolarHBondContact O-N 2.94Å
271	C	87.3	Confident	80	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-68	-40.2	177.3	-62.6	0	0	0	0	112.3	L205 V207 H267 F268 Y269 A274 F275 F288	L205-C271 HydrophobicContact CD1-CB 3.96Å; L205-C271 WeakPolarHBondContact CD1-SG 3.31Å; V207-C271 VanDerWaalsContact CG2-SG 3.55Å; H267-C271 PolarHBondContact O-N 2.86Å; H267-C271 PolarHBondContact O-SG 3.38Å; F268-C271 WeakPolarHBondContact O-CA 2.99Å; F268-C271 WeakPolarHBondContact O-CB 3.29Å; F268-C271 PolarHBondContact O-N 3.06Å; Y269-C271 VanDerWaalsContact C-N 3.29Å; Y269-C271 PolarHBondContact O-N 3.01Å; C271-A274 PolarHBondContact O-N 3.34Å; C271-F275 HydrophobicContact CB-CE2 4.45Å; C271-F275 WeakPolarHBondContact O-CB 3.38Å; C271-F275 WeakPolarHBondContact O-CD2 3.32Å; C271-F275 VanDerWaalsContact O-CG 3.25Å; C271-F275 WeakPolarHBondContact O-CG 3.5Å; C271-F275 PolarHBondContact O-N 3.18Å; C271-F288 HydrophobicContact CB-CE1 3.94Å; C271-F288 HydrophobicContact CB-CZ 3.92Å
272	V	86.6	Confident	81.9	Confident	7 Å²	7	36.8 Å²	36.8	4%	0.042	19%	0.191	C	C	.	.	H	α-helix	trans	-61.1	-44	174.7	172.8	0	0	0	0	111.1	L175 F268 Y269 F275 S276 F288 V289	L175-V272 HydrophobicContact CD1-CG1 4.02Å; F268-V272 HydrophobicContact CD1-CG2 4.05Å; F268-V272 HydrophobicContact CE1-CG2 3.55Å; F268-V272 HydrophobicContact CE2-CG2 4.22Å; F268-V272 HydrophobicContact CZ-CG2 3.64Å; F268-V272 PolarHBondContact O-N 3.18Å; Y269-V272 PolarHBondContact O-N 3.02Å; V272-F275 PolarHBondContact O-N 3.21Å; V272-S276 VanDerWaalsContact O-CB 3.26Å; V272-S276 WeakPolarHBondContact O-CB 3.25Å; V272-S276 PolarHBondContact O-N 3.2Å; V272-S276 PolarHBondContact O-OG 3.4Å; V272-F288 HydrophobicContact CG2-CD1 4.21Å; V272-F288 HydrophobicContact CG2-CE1 3.68Å; V272-F288 HydrophobicContact CG2-CZ 4.45Å; V272-V289 HydrophobicContact CG1-CG1 4.45Å
273	C	85.4	Confident	83.2	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.9	-41.8	174.8	-71.6	0	0	0	0	112.5	F167 V171 Y269 A270 S277	F167-C273 HydrophobicContact CD2-CB 3.93Å; F167-C273 HydrophobicContact CE2-CB 3.66Å; V171-C273 HydrophobicContact CG1-CB 4.34Å; Y269-C273 PolarHBondContact O-N 3.12Å; Y269-C273 PolarHBondContact O-SG 2.83Å; A270-C273 PolarHBondContact O-N 2.85Å; C273-S277 VanDerWaalsContact O-CB 3.3Å; C273-S277 WeakPolarHBondContact O-CB 3.36Å; C273-S277 PolarHBondContact O-N 3.34Å; C273-S277 PolarHBondContact O-OG 2.89Å
274	A	86.6	Confident	84.1	Confident	2 Å²	2	37.1 Å²	37.1	2%	0.017	20%	0.201	C	C	.	.	H	α-helix	trans	-67.1	-38.1	178.6	0	0	0	0	0	112.9	L165 V197 A270 C271	L165-A274 HydrophobicContact CB-CB 3.92Å; L165-A274 HydrophobicContact CD1-CB 3.95Å; V197-A274 HydrophobicContact CB-CB 3.81Å; V197-A274 HydrophobicContact CG1-CB 4.23Å; V197-A274 HydrophobicContact CG2-CB 3.86Å; A270-A274 WeakPolarHBondContact O-CB 3.49Å; A270-A274 PolarHBondContact O-N 2.94Å; C271-A274 PolarHBondContact O-N 3.34Å
275	F	86.8	Confident	84.4	Confident	1 Å²	1	36.2 Å²	36.2	0%	0.004	20%	0.195	C	C	.	.	H	α-helix	trans	-71	-49.2	174.3	-66.1	-29.9	0	0	0	111.9	L165 L205 C271 V272 S277 N278 L281 A282 F285 F288 V289	L165-F275 HydrophobicContact CD1-CD1 4.21Å; L165-F275 HydrophobicContact CD1-CE1 4.13Å; L205-F275 HydrophobicContact CD1-CE1 4.13Å; L205-F275 HydrophobicContact CD1-CE2 4.45Å; L205-F275 HydrophobicContact CD1-CZ 3.71Å; L205-F275 HydrophobicContact CD2-CE1 4.42Å; C271-F275 HydrophobicContact CB-CE2 4.45Å; C271-F275 WeakPolarHBondContact O-CB 3.38Å; C271-F275 WeakPolarHBondContact O-CD2 3.32Å; C271-F275 VanDerWaalsContact O-CG 3.25Å; C271-F275 WeakPolarHBondContact O-CG 3.5Å; C271-F275 PolarHBondContact O-N 3.18Å; V272-F275 PolarHBondContact O-N 3.21Å; F275-S277 PolarHBondContact O-N 2.83Å; F275-N278 CarbonylContact O-C 3.57Å; F275-N278 PolarHBondContact O-N 3.34Å; F275-L281 HydrophobicContact CB-CB 4.46Å; F275-L281 HydrophobicContact CD1-CB 3.99Å; F275-L281 HydrophobicContact CD1-CD1 4.49Å; F275-A282 PolarHBondContact O-N 3.2Å; F275-F285 AromaticContact CD1-CD2 3.82Å; F275-F285 HydrophobicContact CD1-CD2 3.82Å; F275-F285 HydrophobicContact CD1-CE2 4.38Å; F275-F285 HydrophobicContact CD1-CG 4.29Å; F275-F285 HydrophobicContact CD2-CB 3.6Å; F275-F285 HydrophobicContact CD2-CD2 4.28Å; F275-F285 AromaticContact CD2-CG 3.92Å; F275-F285 HydrophobicContact CD2-CG 3.92Å; F275-F285 HydrophobicContact CE1-CD1 4.46Å; F275-F285 AromaticContact CE1-CD2 3.42Å; F275-F285 HydrophobicContact CE1-CD2 3.42Å; F275-F285 VanDerWaalsContact CE1-CD2 3.42Å; F275-F285 AromaticContact CE1-CE2 3.62Å; F275-F285 HydrophobicContact CE1-CE2 3.62Å; F275-F285 AromaticContact CE1-CG 3.89Å; F275-F285 HydrophobicContact CE1-CG 3.89Å; F275-F285 HydrophobicContact CE1-CZ 4.23Å; F275-F285 HydrophobicContact CE2-CB 3.62Å; F275-F285 AromaticContact CE2-CD1 3.76Å; F275-F285 HydrophobicContact CE2-CD1 3.76Å; F275-F285 AromaticContact CE2-CD2 3.93Å; F275-F285 HydrophobicContact CE2-CD2 3.93Å; F275-F285 HydrophobicContact CE2-CE1 4.42Å; F275-F285 AromaticContact CE2-CG 3.48Å; F275-F285 HydrophobicContact CE2-CG 3.48Å; F275-F285 VanDerWaalsContact CE2-CG 3.48Å; F275-F285 HydrophobicContact CG-CB 4.07Å; F275-F285 HydrophobicContact CG-CD2 4.22Å; F275-F285 HydrophobicContact CG-CG 4.29Å; F275-F285 HydrophobicContact CZ-CB 4.08Å; F275-F285 AromaticContact CZ-CD1 3.66Å; F275-F285 HydrophobicContact CZ-CD1 3.66Å; F275-F285 AromaticContact CZ-CD2 3.45Å; F275-F285 HydrophobicContact CZ-CD2 3.45Å; F275-F285 VanDerWaalsContact CZ-CD2 3.45Å; F275-F285 AromaticContact CZ-CE1 3.9Å; F275-F285 HydrophobicContact CZ-CE1 3.9Å; F275-F285 AromaticContact CZ-CE2 3.71Å; F275-F285 HydrophobicContact CZ-CE2 3.71Å; F275-F285 AromaticContact CZ-CG 3.43Å; F275-F285 HydrophobicContact CZ-CG 3.43Å; F275-F285 VanDerWaalsContact CZ-CG 3.43Å; F275-F285 AromaticContact CZ-CZ 3.92Å; F275-F285 HydrophobicContact CZ-CZ 3.92Å; F275-F288 AromaticContact CD2-CD1 3.63Å; F275-F288 HydrophobicContact CD2-CD1 3.63Å; F275-F288 AromaticContact CD2-CE1 3.74Å; F275-F288 HydrophobicContact CD2-CE1 3.74Å; F275-F288 AromaticContact CE2-CD1 3.56Å; F275-F288 HydrophobicContact CE2-CD1 3.56Å; F275-F288 AromaticContact CE2-CE1 3.59Å; F275-F288 HydrophobicContact CE2-CE1 3.59Å; F275-F288 HydrophobicContact CE2-CG 4.33Å; F275-F288 HydrophobicContact CE2-CZ 4.39Å; F275-V289 HydrophobicContact CB-CG2 4.06Å; F275-V289 HydrophobicContact CD2-CG2 4.45Å
276	S	85.1	Confident	84.1	Confident	45 Å²	45	36.8 Å²	36.8	32%	0.315	20%	0.202	S	C	.	.	H	α-helix	trans	-67.7	-16.1	-179.3	-52.7	0	0	0	0	113	V272 N278	V272-S276 VanDerWaalsContact O-CB 3.26Å; V272-S276 WeakPolarHBondContact O-CB 3.25Å; V272-S276 PolarHBondContact O-N 3.2Å; V272-S276 PolarHBondContact O-OG 3.4Å; S276-N278 VanDerWaalsContact C-N 3.26Å; S276-N278 PolarHBondContact O-N 2.96Å
277	S	85.9	Confident	83.7	Confident	3 Å²	3	37.1 Å²	37.1	2%	0.021	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-16.2	170	-67.2	0	0	0	0	114.2	T166 K168 C273 F275	T166-S277 WeakPolarHBondContact O-CB 3.46Å; T166-S277 PolarHBondContact O-OG 3.34Å; K168-S277 VanDerWaalsContact CE-O 3.28Å; K168-S277 WeakPolarHBondContact CE-O 3.48Å; K168-S277 PolarHBondContact N-OG 3.08Å; K168-S277 VanDerWaalsContact N-OG 3.11Å; K168-S277 PolarHBondContact NZ-O 3.43Å; C273-S277 VanDerWaalsContact O-CB 3.3Å; C273-S277 WeakPolarHBondContact O-CB 3.36Å; C273-S277 PolarHBondContact O-N 3.34Å; C273-S277 PolarHBondContact O-OG 2.89Å; F275-S277 PolarHBondContact O-N 2.83Å
278	N	84.9	Confident	83.3	Confident	58 Å²	58	36 Å²	36	31%	0.31	20%	0.203	S	C	.	.	S	Bend	trans	-139.2	110.3	-176.4	-178.4	-24.2	0	0	0	111.2	F275 S276 K280 L281 A282	F275-N278 CarbonylContact O-C 3.57Å; F275-N278 PolarHBondContact O-N 3.34Å; S276-N278 VanDerWaalsContact C-N 3.26Å; S276-N278 PolarHBondContact O-N 2.96Å; N278-K280 PolarHBondContact O-N 3.45Å; N278-K280 PolarHBondContact OD1-N 3.14Å; N278-K280 VanDerWaalsContact OD1-N 3.16Å; N278-L281 HydrophobicContact CB-CB 4.44Å; N278-L281 HydrophobicContact CB-CD1 4.21Å; N278-L281 HydrophobicContact CB-CG 4.4Å; N278-L281 WeakPolarHBondContact O-CA 3.26Å; N278-L281 PolarHBondContact O-N 2.82Å; N278-A282 PolarHBondContact O-N 2.75Å
279	E	82.2	Confident	82.9	Confident	170 Å²	170	37.2 Å²	37.2	79%	0.794	21%	0.211	S	C	*	.	H	α-helix	trans	-46.8	-37.5	-177	-67	161.1	-157.7	0	0	114.5	A282 A283	E279-A282 PolarHBondContact O-N 3.44Å; E279-A283 WeakPolarHBondContact O-CB 3.37Å; E279-A283 PolarHBondContact O-N 3.38Å
280	K	83.4	Confident	82.4	Confident	173 Å²	173	40.4 Å²	40.4	75%	0.752	23%	0.23	S	C	*	.	H	α-helix	trans	-68.7	-35.6	179.6	-62.7	-177.7	-179.3	179.3	0	112.3	N278 E284	N278-K280 PolarHBondContact O-N 3.45Å; N278-K280 PolarHBondContact OD1-N 3.14Å; N278-K280 VanDerWaalsContact OD1-N 3.16Å; K280-E284 PolarHBondContact O-N 2.78Å; K280-E284 VanDerWaalsContact O-N 3.08Å
281	L	81.7	Confident	81.6	Confident	20 Å²	20	43.2 Å²	43.2	11%	0.105	24%	0.24	C	C	.	.	H	α-helix	trans	-82.1	-35.1	176.2	-62.4	175.8	0	0	0	111.5	L165 F275 N278 A283 E284 F285	L165-L281 HydrophobicContact CD1-CD1 4.29Å; L165-L281 HydrophobicContact CD2-CD1 3.73Å; F275-L281 HydrophobicContact CB-CB 4.46Å; F275-L281 HydrophobicContact CD1-CB 3.99Å; F275-L281 HydrophobicContact CD1-CD1 4.49Å; N278-L281 HydrophobicContact CB-CB 4.44Å; N278-L281 HydrophobicContact CB-CD1 4.21Å; N278-L281 HydrophobicContact CB-CG 4.4Å; N278-L281 WeakPolarHBondContact O-CA 3.26Å; N278-L281 PolarHBondContact O-N 2.82Å; L281-A283 PolarHBondContact O-N 3.42Å; L281-E284 PolarHBondContact O-N 2.75Å; L281-F285 HydrophobicContact CD2-CE2 4.45Å; L281-F285 WeakPolarHBondContact O-CB 3.23Å; L281-F285 WeakPolarHBondContact O-CD2 3.46Å; L281-F285 PolarHBondContact O-N 3.24Å
282	A	81.1	Confident	80.6	Confident	29 Å²	29	43.6 Å²	43.6	24%	0.24	24%	0.243	C	C	.	.	H	α-helix	trans	-58.3	-38.4	169.9	0	0	0	0	0	111.5	F275 N278 E279 A286	F275-A282 PolarHBondContact O-N 3.2Å; N278-A282 PolarHBondContact O-N 2.75Å; E279-A282 PolarHBondContact O-N 3.44Å; A282-A286 WeakPolarHBondContact O-CA 3.39Å; A282-A286 WeakPolarHBondContact O-CB 3.48Å; A282-A286 PolarHBondContact O-N 3.41Å
283	A	79.9	Confident	79.1	Confident	73 Å²	73	45.5 Å²	45.5	60%	0.603	26%	0.257	S	S	*	.	H	α-helix	trans	-69.9	-49	172	0	0	0	0	0	112.8	E279 L281 F285 A286	E279-A283 WeakPolarHBondContact O-CB 3.37Å; E279-A283 PolarHBondContact O-N 3.38Å; L281-A283 PolarHBondContact O-N 3.42Å; A283-F285 VanDerWaalsContact C-N 3.25Å; A283-F285 PolarHBondContact O-N 3.2Å; A283-A286 PolarHBondContact O-N 3.26Å
284	E	79.8	Confident	77.6	Confident	67 Å²	67	49.9 Å²	49.9	31%	0.313	28%	0.284	S	S	.	.	H	α-helix	trans	-59.2	-35.9	179.2	-173.1	179.2	-169.8	0	0	112.6	R199 Q226 K280 L281	R199-E284 IonicContact CZ-OE1 2.7Å; R199-E284 IonicContact CZ-OE2 3.12Å; R199-E284 IonicContact NH1-OE1 2.81Å; R199-E284 IonicContact NH1-OE2 3.8Å; R199-E284 PolarHBondContact NH1-OE2 3.34Å; R199-E284 VanDerWaalsContact NH2-CD 3.33Å; R199-E284 IonicContact NH2-OE1 3.15Å; R199-E284 PolarHBondContact NH2-OE1 3.01Å; R199-E284 IonicContact NH2-OE2 2.69Å; R199-E284 PolarHBondContact NH2-OE2 2.74Å; Q226-E284 PolarHBondContact NE2-O 2.93Å; K280-E284 PolarHBondContact O-N 2.78Å; K280-E284 VanDerWaalsContact O-N 3.08Å; L281-E284 PolarHBondContact O-N 2.75Å
285	F	80.2	Confident	75.9	Confident	4 Å²	4	51.7 Å²	51.7	2%	0.018	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	24	-176.8	-65.3	-81.7	0	0	0	113.5	V224 F275 L281 A283 A287 F288 V289	V224-F285 HydrophobicContact CB-CD1 4.44Å; V224-F285 HydrophobicContact CB-CE1 4.22Å; V224-F285 HydrophobicContact CG1-CD1 4.04Å; V224-F285 HydrophobicContact CG1-CE1 4.23Å; F275-F285 AromaticContact CD1-CD2 3.82Å; F275-F285 HydrophobicContact CD1-CD2 3.82Å; F275-F285 HydrophobicContact CD1-CE2 4.38Å; F275-F285 HydrophobicContact CD1-CG 4.29Å; F275-F285 HydrophobicContact CD2-CB 3.6Å; F275-F285 HydrophobicContact CD2-CD2 4.28Å; F275-F285 AromaticContact CD2-CG 3.92Å; F275-F285 HydrophobicContact CD2-CG 3.92Å; F275-F285 HydrophobicContact CE1-CD1 4.46Å; F275-F285 AromaticContact CE1-CD2 3.42Å; F275-F285 HydrophobicContact CE1-CD2 3.42Å; F275-F285 VanDerWaalsContact CE1-CD2 3.42Å; F275-F285 AromaticContact CE1-CE2 3.62Å; F275-F285 HydrophobicContact CE1-CE2 3.62Å; F275-F285 AromaticContact CE1-CG 3.89Å; F275-F285 HydrophobicContact CE1-CG 3.89Å; F275-F285 HydrophobicContact CE1-CZ 4.23Å; F275-F285 HydrophobicContact CE2-CB 3.62Å; F275-F285 AromaticContact CE2-CD1 3.76Å; F275-F285 HydrophobicContact CE2-CD1 3.76Å; F275-F285 AromaticContact CE2-CD2 3.93Å; F275-F285 HydrophobicContact CE2-CD2 3.93Å; F275-F285 HydrophobicContact CE2-CE1 4.42Å; F275-F285 AromaticContact CE2-CG 3.48Å; F275-F285 HydrophobicContact CE2-CG 3.48Å; F275-F285 VanDerWaalsContact CE2-CG 3.48Å; F275-F285 HydrophobicContact CG-CB 4.07Å; F275-F285 HydrophobicContact CG-CD2 4.22Å; F275-F285 HydrophobicContact CG-CG 4.29Å; F275-F285 HydrophobicContact CZ-CB 4.08Å; F275-F285 AromaticContact CZ-CD1 3.66Å; F275-F285 HydrophobicContact CZ-CD1 3.66Å; F275-F285 AromaticContact CZ-CD2 3.45Å; F275-F285 HydrophobicContact CZ-CD2 3.45Å; F275-F285 VanDerWaalsContact CZ-CD2 3.45Å; F275-F285 AromaticContact CZ-CE1 3.9Å; F275-F285 HydrophobicContact CZ-CE1 3.9Å; F275-F285 AromaticContact CZ-CE2 3.71Å; F275-F285 HydrophobicContact CZ-CE2 3.71Å; F275-F285 AromaticContact CZ-CG 3.43Å; F275-F285 HydrophobicContact CZ-CG 3.43Å; F275-F285 VanDerWaalsContact CZ-CG 3.43Å; F275-F285 AromaticContact CZ-CZ 3.92Å; F275-F285 HydrophobicContact CZ-CZ 3.92Å; L281-F285 HydrophobicContact CD2-CE2 4.45Å; L281-F285 WeakPolarHBondContact O-CB 3.23Å; L281-F285 WeakPolarHBondContact O-CD2 3.46Å; L281-F285 PolarHBondContact O-N 3.24Å; A283-F285 VanDerWaalsContact C-N 3.25Å; A283-F285 PolarHBondContact O-N 3.2Å; F285-A287 VanDerWaalsContact C-N 3.28Å; F285-A287 PolarHBondContact O-N 3.25Å; F285-A287 VanDerWaalsContact O-N 3.16Å; F285-F288 HydrophobicContact CB-CB 4.4Å; F285-F288 WeakPolarHBondContact O-CA 3.3Å; F285-F288 WeakPolarHBondContact O-CB 3.45Å; F285-F288 PolarHBondContact O-N 3.12Å; F285-V289 PolarHBondContact O-N 3.08Å
286	A	78	Confident	73.9	Confident	39 Å²	39	52.4 Å²	52.4	32%	0.322	30%	0.298	S	S	.	.	H	α-helix	trans	-53.1	-40.9	-175.5	0	0	0	0	0	113.6	A282 A283 F288 V289 N290	A282-A286 WeakPolarHBondContact O-CA 3.39Å; A282-A286 WeakPolarHBondContact O-CB 3.48Å; A282-A286 PolarHBondContact O-N 3.41Å; A283-A286 PolarHBondContact O-N 3.26Å; A286-F288 VanDerWaalsContact C-N 3.28Å; A286-F288 PolarHBondContact O-N 3.46Å; A286-V289 PolarHBondContact O-N 3.47Å; A286-N290 VanDerWaalsContact O-CB 3.25Å; A286-N290 WeakPolarHBondContact O-CB 3.5Å; A286-N290 PolarHBondContact O-N 3.33Å; A286-N290 PolarHBondContact O-ND2 3.16Å
287	A	76.5	Confident	71.8	Confident	36 Å²	36	55.3 Å²	55.3	30%	0.298	31%	0.309	S	S	.	.	H	α-helix	trans	-63	-31.6	176.5	0	0	0	0	0	113.5	S235 F285 Y291	S235-A287 PolarHBondContact OG-O 3.48Å; F285-A287 VanDerWaalsContact C-N 3.28Å; F285-A287 PolarHBondContact O-N 3.25Å; F285-A287 VanDerWaalsContact O-N 3.16Å; A287-Y291 PolarHBondContact O-N 3.09Å
288	F	78.9	Confident	69.4	Low	1 Å²	1	59 Å²	59	0%	0.004	33%	0.332	C	S	.	.	H	α-helix	trans	-81.7	-38.4	178.9	171.7	-84.7	0	0	0	111.7	L222 V224 S235 F237 F268 C271 V272 F275 F285 A286 Y291	L222-F288 HydrophobicContact CD2-CE2 4.45Å; L222-F288 HydrophobicContact CD2-CZ 4.46Å; V224-F288 HydrophobicContact CB-CD2 4.37Å; V224-F288 HydrophobicContact CG1-CB 4.1Å; V224-F288 HydrophobicContact CG1-CD2 3.58Å; V224-F288 HydrophobicContact CG1-CE2 4.26Å; V224-F288 HydrophobicContact CG1-CG 4.03Å; V224-F288 HydrophobicContact CG2-CD2 3.82Å; V224-F288 HydrophobicContact CG2-CE2 3.62Å; V224-F288 HydrophobicContact CG2-CG 4.49Å; V224-F288 HydrophobicContact CG2-CZ 4.16Å; S235-F288 VanDerWaalsContact OG-CA 3.28Å; S235-F288 WeakPolarHBondContact OG-CA 3.36Å; S235-F288 PolarHBondContact OG-N 3.37Å; F237-F288 HydrophobicContact CB-CD2 4.13Å; F237-F288 HydrophobicContact CB-CE2 3.67Å; F237-F288 HydrophobicContact CD1-CE2 4.16Å; F237-F288 AromaticContact CG-CE2 3.96Å; F237-F288 HydrophobicContact CG-CE2 3.96Å; F268-F288 HydrophobicContact CD2-CD2 4.38Å; F268-F288 HydrophobicContact CD2-CE1 4.18Å; F268-F288 AromaticContact CD2-CE2 3.45Å; F268-F288 HydrophobicContact CD2-CE2 3.45Å; F268-F288 VanDerWaalsContact CD2-CE2 3.45Å; F268-F288 AromaticContact CD2-CZ 3.34Å; F268-F288 HydrophobicContact CD2-CZ 3.34Å; F268-F288 HydrophobicContact CE2-CD1 4.39Å; F268-F288 AromaticContact CE2-CD2 3.91Å; F268-F288 HydrophobicContact CE2-CD2 3.91Å; F268-F288 AromaticContact CE2-CE1 3.95Å; F268-F288 HydrophobicContact CE2-CE1 3.95Å; F268-F288 AromaticContact CE2-CE2 3.42Å; F268-F288 HydrophobicContact CE2-CE2 3.42Å; F268-F288 VanDerWaalsContact CE2-CE2 3.42Å; F268-F288 HydrophobicContact CE2-CG 4.38Å; F268-F288 AromaticContact CE2-CZ 3.45Å; F268-F288 HydrophobicContact CE2-CZ 3.45Å; F268-F288 VanDerWaalsContact CE2-CZ 3.45Å; F268-F288 HydrophobicContact CG-CZ 4.23Å; F268-F288 HydrophobicContact CZ-CZ 4.42Å; C271-F288 HydrophobicContact CB-CE1 3.94Å; C271-F288 HydrophobicContact CB-CZ 3.92Å; V272-F288 HydrophobicContact CG2-CD1 4.21Å; V272-F288 HydrophobicContact CG2-CE1 3.68Å; V272-F288 HydrophobicContact CG2-CZ 4.45Å; F275-F288 AromaticContact CD2-CD1 3.63Å; F275-F288 HydrophobicContact CD2-CD1 3.63Å; F275-F288 AromaticContact CD2-CE1 3.74Å; F275-F288 HydrophobicContact CD2-CE1 3.74Å; F275-F288 AromaticContact CE2-CD1 3.56Å; F275-F288 HydrophobicContact CE2-CD1 3.56Å; F275-F288 AromaticContact CE2-CE1 3.59Å; F275-F288 HydrophobicContact CE2-CE1 3.59Å; F275-F288 HydrophobicContact CE2-CG 4.33Å; F275-F288 HydrophobicContact CE2-CZ 4.39Å; F285-F288 HydrophobicContact CB-CB 4.4Å; F285-F288 WeakPolarHBondContact O-CA 3.3Å; F285-F288 WeakPolarHBondContact O-CB 3.45Å; F285-F288 PolarHBondContact O-N 3.12Å; A286-F288 VanDerWaalsContact C-N 3.28Å; A286-F288 PolarHBondContact O-N 3.46Å; F288-Y291 WeakPolarHBondContact O-CB 3.34Å; F288-Y291 PolarHBondContact O-N 2.89Å
289	V	78.3	Confident	67.3	Low	26 Å²	26	59.2 Å²	59.2	16%	0.158	33%	0.332	C	S	.	.	H	α-helix	trans	-64.3	-46.3	172.5	176.2	0	0	0	0	110.4	V272 F275 F285 A286 Y291 S292	V272-V289 HydrophobicContact CG1-CG1 4.45Å; F275-V289 HydrophobicContact CB-CG2 4.06Å; F275-V289 HydrophobicContact CD2-CG2 4.45Å; F285-V289 PolarHBondContact O-N 3.08Å; A286-V289 PolarHBondContact O-N 3.47Å; V289-Y291 PolarHBondContact O-N 3.37Å; V289-S292 WeakPolarHBondContact O-CB 3.44Å; V289-S292 PolarHBondContact O-N 3.42Å; V289-S292 VanDerWaalsContact O-N 3.08Å
290	N	75.4	Confident	65.3	Low	94 Å²	94	54.5 Å²	54.5	50%	0.503	31%	0.311	S	S	.	.	H	α-helix	trans	-66.8	-20.4	178.6	-68.3	-14.5	0	0	0	113.8	A286 S292 S293 V294	A286-N290 VanDerWaalsContact O-CB 3.25Å; A286-N290 WeakPolarHBondContact O-CB 3.5Å; A286-N290 PolarHBondContact O-N 3.33Å; A286-N290 PolarHBondContact O-ND2 3.16Å; N290-S292 PolarHBondContact O-N 3.4Å; N290-S293 PolarHBondContact O-N 2.91Å; N290-S293 PolarHBondContact O-OG 3.25Å; N290-S293 VanDerWaalsContact O-OG 3.11Å; N290-V294 WeakPolarHBondContact O-CG2 3.45Å; N290-V294 PolarHBondContact O-N 2.05Å
291	Y	70.8	Confident	63.3	Low	59 Å²	59	51.4 Å²	51.4	23%	0.231	31%	0.307	C	S	.	.	H	α-helix	trans	-61.1	-35.9	171.5	-175	-98.6	0	0	0	111.5	F237 S262 F268 A287 F288 V289 N295	F237-Y291 HydrophobicContact CE1-CD1 4.16Å; F237-Y291 AromaticContact CE1-CE1 3.87Å; F237-Y291 HydrophobicContact CE1-CE1 3.87Å; S262-Y291 WeakPolarHBondContact O-CE1 3.16Å; S262-Y291 PolarHBondContact O-OH 3.38Å; F268-Y291 HydrophobicContact CE2-CD1 4.1Å; F268-Y291 AromaticContact CZ-CD1 3.92Å; F268-Y291 HydrophobicContact CZ-CD1 3.92Å; A287-Y291 PolarHBondContact O-N 3.09Å; F288-Y291 WeakPolarHBondContact O-CB 3.34Å; F288-Y291 PolarHBondContact O-N 2.89Å; V289-Y291 PolarHBondContact O-N 3.37Å; Y291-N295 WeakPolarHBondContact CE1-ND2 3.35Å; Y291-N295 VanDerWaalsContact CZ-ND2 3.3Å; Y291-N295 PolarHBondContact O-N 3.29Å; Y291-N295 PolarHBondContact OH-ND2 3.13Å; Y291-N295 VanDerWaalsContact OH-ND2 3.08Å
292	S	64.6	Low	61	Low	9 Å²	9	57.5 Å²	57.5	6%	0.063	34%	0.335	C	S	.	.	H	α-helix	trans	-65	-46.2	178.6	-161.3	0	0	0	0	112.1	V289 N290 T296	V289-S292 WeakPolarHBondContact O-CB 3.44Å; V289-S292 PolarHBondContact O-N 3.42Å; V289-S292 VanDerWaalsContact O-N 3.08Å; N290-S292 PolarHBondContact O-N 3.4Å; S292-T296 PolarHBondContact O-N 3.14Å; S292-T296 VanDerWaalsContact O-N 3.12Å; S292-T296 PolarHBondContact O-OG1 2.93Å; S292-T296 VanDerWaalsContact O-OG1 3.08Å
293	S	56.5	Low	58.9	Low	47 Å²	47	62.6 Å²	62.6	33%	0.329	35%	0.354	S	S	.	.	H	α-helix	trans	-70.4	-34.2	-177	50.1	0	0	0	0	113	N290 L297	N290-S293 PolarHBondContact O-N 2.91Å; N290-S293 PolarHBondContact O-OG 3.25Å; N290-S293 VanDerWaalsContact O-OG 3.11Å; S293-L297 WeakPolarHBondContact O-CG 3.13Å; S293-L297 PolarHBondContact O-N 3.12Å
294	V	54.1	Low	56.7	Low	92 Å²	92	65.4 Å²	65.4	56%	0.558	36%	0.358	S	S	*	.	H	α-helix	trans	-73.3	-41.4	178.1	177.3	0	0	0	0	112.1	N290 T298	N290-V294 WeakPolarHBondContact O-CG2 3.45Å; N290-V294 PolarHBondContact O-N 2.05Å; V294-T298 PolarHBondContact O-OG1 2.85Å; V294-T298 VanDerWaalsContact O-OG1 3.06Å
295	N	50.5	Low	54.5	Low	39 Å²	39	66.3 Å²	66.3	21%	0.209	38%	0.378	C	S	.	.	H	α-helix	trans	-68.8	-42.3	177.2	-90.5	23.5	0	0	0	112	Y291 L297 T298 I299	Y291-N295 WeakPolarHBondContact CE1-ND2 3.35Å; Y291-N295 VanDerWaalsContact CZ-ND2 3.3Å; Y291-N295 PolarHBondContact O-N 3.29Å; Y291-N295 PolarHBondContact OH-ND2 3.13Å; Y291-N295 VanDerWaalsContact OH-ND2 3.08Å; N295-L297 VanDerWaalsContact C-N 3.34Å; N295-L297 PolarHBondContact O-N 3.28Å; N295-T298 WeakPolarHBondContact O-CA 3.23Å; N295-T298 VanDerWaalsContact O-CB 3.31Å; N295-T298 WeakPolarHBondContact O-CB 3.39Å; N295-T298 PolarHBondContact O-N 2.71Å; N295-I299 PolarHBondContact O-N 3.07Å
296	T	45	Very low	52.3	Low	17 Å²	17	70.4 Å²	70.4	10%	0.104	41%	0.412	C	S	.	.	H	α-helix	trans	-64.6	-36.4	-177.4	-58.5	0	0	0	0	112.4	Q176 S292 T298 I299 I300	Q176-T296 HydrophobicContact CB-CG2 4.08Å; Q176-T296 PolarHBondContact O-OG1 2.8Å; S292-T296 PolarHBondContact O-N 3.14Å; S292-T296 VanDerWaalsContact O-N 3.12Å; S292-T296 PolarHBondContact O-OG1 2.93Å; S292-T296 VanDerWaalsContact O-OG1 3.08Å; T296-T298 VanDerWaalsContact C-N 3.26Å; T296-T298 PolarHBondContact O-N 3.32Å; T296-I299 PolarHBondContact O-N 3.17Å; T296-I300 HydrophobicContact CG2-CD1 3.94Å; T296-I300 HydrophobicContact CG2-CG1 4.39Å; T296-I300 WeakPolarHBondContact O-CG1 3.44Å; T296-I300 PolarHBondContact O-N 2.96Å
297	L	40.6	Very low	49.8	Very low	106 Å²	106	72 Å²	72	56%	0.555	43%	0.433	S	S	*	.	H	α-helix	trans	-58.5	-37.4	170.9	-74.8	171.5	0	0	0	112.7	S293 N295 I299 I300 V301	S293-L297 WeakPolarHBondContact O-CG 3.13Å; S293-L297 PolarHBondContact O-N 3.12Å; N295-L297 VanDerWaalsContact C-N 3.34Å; N295-L297 PolarHBondContact O-N 3.28Å; L297-I299 VanDerWaalsContact C-N 3.35Å; L297-I300 PolarHBondContact O-N 3.34Å; L297-V301 WeakPolarHBondContact O-CG2 3.07Å; L297-V301 PolarHBondContact O-N 3.38Å; L297-V301 VanDerWaalsContact O-N 3.12Å
298	T	35.8	Very low	47.5	Very low	81 Å²	81	79.3 Å²	79.3	50%	0.497	46%	0.46	S	S	.	.	H	α-helix	trans	-66.9	-37.6	178.7	-50.7	0	0	0	0	111.5	V294 N295 T296 Q302	V294-T298 PolarHBondContact O-OG1 2.85Å; V294-T298 VanDerWaalsContact O-OG1 3.06Å; N295-T298 WeakPolarHBondContact O-CA 3.23Å; N295-T298 VanDerWaalsContact O-CB 3.31Å; N295-T298 WeakPolarHBondContact O-CB 3.39Å; N295-T298 PolarHBondContact O-N 2.71Å; T296-T298 VanDerWaalsContact C-N 3.26Å; T296-T298 PolarHBondContact O-N 3.32Å; T298-Q302 PolarHBondContact O-N 2.97Å
299	I	40.6	Very low	45	Very low	61 Å²	61	88.7 Å²	88.7	31%	0.313	50%	0.501	S	S	.	.	H	α-helix	trans	-69.1	-44.4	176.8	-63.8	169.3	0	0	0	111	N295 T296 L297 V301 Q302 Q303	N295-I299 PolarHBondContact O-N 3.07Å; T296-I299 PolarHBondContact O-N 3.17Å; L297-I299 VanDerWaalsContact C-N 3.35Å; I299-V301 VanDerWaalsContact C-N 3.33Å; I299-V301 PolarHBondContact O-N 3.06Å; I299-Q302 PolarHBondContact O-N 2.96Å; I299-Q302 VanDerWaalsContact O-N 3.17Å; I299-Q303 PolarHBondContact O-N 2.84Å; I299-Q303 VanDerWaalsContact O-N 3.09Å
300	I	40.6	Very low	42.5	Very low	71 Å²	71	92.4 Å²	92.4	36%	0.364	53%	0.526	S	S	.	.	H	α-helix	trans	-62.3	-40	179.4	-67.3	166.4	0	0	0	111.3	T296 L297 Q302 Q303 N304	T296-I300 HydrophobicContact CG2-CD1 3.94Å; T296-I300 HydrophobicContact CG2-CG1 4.39Å; T296-I300 WeakPolarHBondContact O-CG1 3.44Å; T296-I300 PolarHBondContact O-N 2.96Å; L297-I300 PolarHBondContact O-N 3.34Å; I300-Q302 VanDerWaalsContact C-N 3.3Å; I300-Q302 PolarHBondContact O-N 3.4Å; I300-Q303 PolarHBondContact O-N 3.27Å; I300-N304 PolarHBondContact O-N 2.97Å
301	V	39.6	Very low	40	Very low	108 Å²	108	96.6 Å²	96.6	66%	0.655	55%	0.548	S	S	*	.	H	α-helix	trans	-65.1	-32.1	177	170.4	0	0	0	0	112.3	L297 I299	L297-V301 WeakPolarHBondContact O-CG2 3.07Å; L297-V301 PolarHBondContact O-N 3.38Å; L297-V301 VanDerWaalsContact O-N 3.12Å; I299-V301 VanDerWaalsContact C-N 3.33Å; I299-V301 PolarHBondContact O-N 3.06Å
302	Q	35.2	Very low	38	Very low	148 Å²	148	102.5 Å²	102.5	69%	0.692	58%	0.577	S	S	*	*	H	α-helix	trans	-74.1	-33.8	173.4	-70.5	-172.4	-69.2	0	0	113	T298 I299 I300	T298-Q302 PolarHBondContact O-N 2.97Å; I299-Q302 PolarHBondContact O-N 2.96Å; I299-Q302 VanDerWaalsContact O-N 3.17Å; I300-Q302 VanDerWaalsContact C-N 3.3Å; I300-Q302 PolarHBondContact O-N 3.4Å
303	Q	35.9	Very low	36.1	Very low	137 Å²	137	110.9 Å²	110.9	64%	0.64	62%	0.615	S	S	*	*	H	α-helix	trans	-75.7	-36	179.7	-70.7	-178.9	-14.8	0	0	112.9	I299 I300 A305	I299-Q303 PolarHBondContact O-N 2.84Å; I299-Q303 VanDerWaalsContact O-N 3.09Å; I300-Q303 PolarHBondContact O-N 3.27Å; Q303-A305 PolarHBondContact O-N 3.12Å
304	N	34.2	Very low	34.5	Very low	131 Å²	131	113.1 Å²	113.1	70%	0.701	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	-0.8	179.8	-72.2	-2.9	0	0	0	114.5	I300 A306	I300-N304 PolarHBondContact O-N 2.97Å; N304-A306 VanDerWaalsContact C-N 3.29Å; N304-A306 PolarHBondContact O-N 2.86Å
305	A	33.7	Very low	32.9	Very low	87 Å²	87	117 Å²	117	72%	0.719	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	-7	176.5	0	0	0	0	0	113.9	Q303	Q303-A305 PolarHBondContact O-N 3.12Å
306	A	32.6	Very low	32	Very low	89 Å²	89	120.4 Å²	120.4	74%	0.736	67%	0.673	S	S	*	*	S	Bend	trans	-122.3	69.2	-171.3	0	0	0	0	0	113.4	N304	N304-A306 VanDerWaalsContact C-N 3.29Å; N304-A306 PolarHBondContact O-N 2.86Å
307	G	26	Very low	30.9	Very low	74 Å²	74	126 Å²	126	76%	0.763	70%	0.702	S	S	*	*			trans	95.3	101.4	159.8	0	0	0	0	0	116.4
308	E	28.4	Very low	30	Very low	188 Å²	188	127.3 Å²	127.3	88%	0.879	71%	0.71	S	S	*	*			trans	-71.7	133.1	162.1	-64.3	-174.6	114.8	0	0	111.4
309	K	25.5	Very low	29.5	Very low	198 Å²	198	127.2 Å²	127.2	86%	0.861	71%	0.713	S	S	*	*				-161.7	139.6	114.5	-109.9	164.7	-174.7	173.3	0	112.6
310	P	26.9	Very low	28.8	Very low	104 Å²	104	131.6 Å²	131.6	68%	0.675	73%	0.732	S	S	*	*			trans	-86.5	141.3	-178.2	-1.3	20.9	0	0	0	111.9
311	L	22.6	Very low	28.1	Very low	183 Å²	183	136.3 Å²	136.3	96%	0.958	75%	0.752	S	S	*	*			trans	-102.6	103.3	156.5	-76.4	170.7	0	0	0	108
312	Q	29.3	Very low	27.4	Very low	183 Å²	183	140 Å²	140	86%	0.855	76%	0.759	S	S	*	*			trans	-79.8	128.4	171.3	-73.4	-177.3	-14.8	0	0	109.7
313	Q	25.3	Very low	26.8	Very low	184 Å²	184	138.7 Å²	138.7	86%	0.86	76%	0.761	S	S	*	*			trans	-70.7	137.5	169.2	-177.7	176.9	-6.8	0	0	109.5
314	A	21.6	Very low	26.3	Very low	95 Å²	95	141 Å²	141	79%	0.785	77%	0.768	S	S	*	*			trans	-131.7	135.1	176.1	0	0	0	0	0	110.4
315	E	21.3	Very low	25.8	Very low	173 Å²	173	143.7 Å²	143.7	81%	0.808	77%	0.774	S	S	*	*			trans	-131.8	158.2	170.9	-88.6	-139.6	101.2	0	0	109.3
316	P	32	Very low	25.3	Very low	110 Å²	110	148.5 Å²	148.5	71%	0.714	78%	0.782	S	S	*	*				-115.7	169.8	-114.4	40.7	-39.8	0	0	0	117.5
317	N	21.7	Very low	24.8	Very low	135 Å²	135	152.9 Å²	152.9	72%	0.722	78%	0.779	S	S	*	*			trans	94.1	140.2	141.9	-154.5	18.1	0	0	0	119.7
318	N	22.2	Very low	24.7	Very low	133 Å²	133	156 Å²	156	71%	0.711	78%	0.777	S	S	*	*			trans	59.1	148.1	166.6	-77.6	-22.6	0	0	0	120.8
319	S	25.3	Very low	24.6	Very low	80 Å²	80	151.8 Å²	151.8	56%	0.559	76%	0.761	S	S	*	*			cis	-167.5	161.2	-29.4	51.8	0	0	0	0	112.4
320	H	25.1	Very low	24.5	Very low	153 Å²	153	150.3 Å²	150.3	71%	0.708	76%	0.757	S	S	*	*			trans	65.1	134.9	152.4	-68.5	-55	0	0	0	123.3
321	H	26.6	Very low	24.5	Very low	170 Å²	170	149.5 Å²	149.5	79%	0.787	75%	0.754	S	S	*	*			trans	73.4	157.5	154.9	-54.2	-34.8	0	0	0	119
322	K	23.3	Very low	24.6	Very low	186 Å²	186	146.8 Å²	146.8	81%	0.809	75%	0.745	S	S	*	*			cis	-172.4	167.9	-44.3	-141.6	179.4	-177.4	178.1	0	107.6
323	V	24.4	Very low	24.5	Very low	120 Å²	120	143.9 Å²	143.9	73%	0.727	75%	0.745	S	S	*	*			trans	80.3	99.4	151.9	172.5	0	0	0	0	120.4
324	K	24.4	Very low	24.4	Very low	184 Å²	184	138.6 Å²	138.6	80%	0.8	74%	0.74	S	S	*	*				83.4	97.3	112.2	-166.3	-179	173.7	-171.3	0	123.4
325	K	23.5	Very low	24.6	Very low	189 Å²	189	139.4 Å²	139.4	82%	0.822	74%	0.74	S	S	*	*				63.8	115	112.9	-172	-164	-177.7	-176.6	0	122.4
326	Q	24.1	Very low	24.7	Very low	187 Å²	187	142.5 Å²	142.5	87%	0.874	75%	0.745	S	S	*	*			trans	-173.9	155.4	144.6	-107.7	-179.4	-114	0	0	108.1
327	R	22.5	Very low	24.3	Very low	182 Å²	182	141.4 Å²	141.4	69%	0.687	74%	0.739	S	S	*	*			cis	66.5	144.2	4.7	-99.7	-168.2	151.9	-166.4	-13.4	118.4	D329	R327-D329 IonicContact CZ-OD2 3.23Å; R327-D329 IonicContact NE-OD1 3.33Å; R327-D329 IonicContact NE-OD2 2.72Å; R327-D329 PolarHBondContact NE-OD2 3.08Å; R327-D329 IonicContact NH2-OD2 2.9Å; R327-D329 PolarHBondContact NH2-OD2 2.74Å
328	L	24.1	Very low	24.4	Very low	138 Å²	138	142.8 Å²	142.8	72%	0.723	74%	0.742	S	S	*	*			cis	-149.3	167.5	19.6	-179.4	86.9	0	0	0	109.2
329	D	24.6	Very low	24.5	Very low	101 Å²	101	143.8 Å²	143.8	54%	0.54	74%	0.741	S	S	.	*				-127.3	-135	-80	-76.2	-19.8	0	0	0	104.6	R327	R327-D329 IonicContact CZ-OD2 3.23Å; R327-D329 IonicContact NE-OD1 3.33Å; R327-D329 IonicContact NE-OD2 2.72Å; R327-D329 PolarHBondContact NE-OD2 3.08Å; R327-D329 IonicContact NH2-OD2 2.9Å; R327-D329 PolarHBondContact NH2-OD2 2.74Å
330	E	24.5	Very low	24.4	Very low	166 Å²	166	148.4 Å²	148.4	78%	0.776	75%	0.752	S	S	*	*			cis	-163.9	164.9	-11.3	66.7	164.2	96.2	0	0	111.4
331	S	27.2	Very low	24.4	Very low	87 Å²	87	147 Å²	147	61%	0.608	75%	0.749	S	S	*	*			trans	59.3	159.8	143.9	-48.2	0	0	0	0	124
332	T	25	Very low	24.4	Very low	126 Å²	126	145.8 Å²	145.8	77%	0.773	75%	0.747	S	S	*	*			cis	-155.1	158.3	8.4	-25.1	0	0	0	0	114.6
333	S	26	Very low	24.5	Very low	122 Å²	122	141.3 Å²	141.3	85%	0.853	74%	0.739	S	S	*	*			trans	77.3	149.1	153.9	77.8	0	0	0	0	120.7
334	G	24.3	Very low	24.7	Very low	74 Å²	74	143.1 Å²	143.1	76%	0.763	74%	0.739	S	S	*	*			cis	179.8	123.4	-8.7	0	0	0	0	0	117.5
335	S	25	Very low	24.7	Very low	112 Å²	112	141.5 Å²	141.5	78%	0.783	74%	0.739	S	S	*	*			trans	21.3	132.2	152	-161.6	0	0	0	0	123.9
336	R	23.3	Very low	24.8	Very low	238 Å²	238	136.9 Å²	136.9	90%	0.898	73%	0.731	S	S	*	*				-176.6	152.1	105.2	-101.5	179.5	71.8	160.7	1.9	116.9
337	S	23.8	Very low	24.9	Very low	86 Å²	86	136.3 Å²	136.3	60%	0.601	73%	0.732	S	S	*	*			trans	-86.6	-175.9	168	-27.6	0	0	0	0	111.8
338	E	23.7	Very low	25.1	Very low	165 Å²	165	133.3 Å²	133.3	77%	0.771	73%	0.734	S	S	*	*			cis	-170.4	140.7	24.6	-129.4	158.8	-124.6	0	0	108.5
339	H	25.1	Very low	25.1	Very low	153 Å²	153	131.7 Å²	131.7	71%	0.708	74%	0.74	S	S	*	*				94.5	164.6	100.5	-116.4	-118.9	0	0	0	120.3
340	F	22.6	Very low	25.2	Very low	178 Å²	178	133.4 Å²	133.4	78%	0.781	75%	0.754	S	S	*	*			trans	73.8	143.5	173.8	-71.4	-97.2	0	0	0	120.4
341	L	24.9	Very low	25.3	Very low	122 Å²	122	132.7 Å²	132.7	64%	0.639	76%	0.755	S	S	*	*			cis	-174.1	163.7	-35.7	-115	-160.6	0	0	0	111.4
342	I	26.6	Very low	25.3	Very low	146 Å²	146	136.1 Å²	136.1	75%	0.749	77%	0.766	S	S	*	*			trans	71.3	144.2	153.1	-72.5	163.6	0	0	0	116.5
343	S	25.6	Very low	26.2	Very low	91 Å²	91	136.1 Å²	136.1	64%	0.636	77%	0.768	S	S	*	*			cis	-146.7	149.8	12.7	-146.8	0	0	0	0	114.6
344	H	28.6	Very low	26.1	Very low	159 Å²	159	135.5 Å²	135.5	74%	0.736	77%	0.77	S	S	*	*			trans	34.3	141.7	136.6	-73.7	-106.5	0	0	0	121.8
345	N	25	Very low	26.2	Very low	149 Å²	149	137.2 Å²	137.2	80%	0.797	78%	0.777	S	S	*	*			cis	-153	160.4	48.4	-139.7	4.2	0	0	0	115.4
346	S	24.6	Very low	26.3	Very low	93 Å²	93	135.4 Å²	135.4	65%	0.65	78%	0.777	S	S	*	*			trans	-133.4	155.2	-174.5	-51.4	0	0	0	0	112.2
347	I	26.9	Very low	26.6	Very low	175 Å²	175	132.7 Å²	132.7	90%	0.897	77%	0.771	S	S	*	*			trans	-131.2	137.4	150.7	-63.1	-175	0	0	0	108.3
348	T	25.7	Very low	26.7	Very low	118 Å²	118	136.7 Å²	136.7	72%	0.724	78%	0.781	S	S	*	*			trans	-125	161.3	-169.3	46.8	0	0	0	0	112.2
349	A	24.7	Very low	26.9	Very low	104 Å²	104	132.8 Å²	132.8	86%	0.86	78%	0.784	S	S	*	*			trans	-146.6	143	152.7	0	0	0	0	0	109.2
350	T	26.6	Very low	27.2	Very low	137 Å²	137	130.1 Å²	130.1	84%	0.84	79%	0.789	S	S	*	*			trans	-129.8	157.8	-166.7	-48.6	0	0	0	0	111.4
351	L	26	Very low	28.1	Very low	152 Å²	152	127.9 Å²	127.9	80%	0.796	79%	0.792	S	S	*	*			trans	-91.2	177.8	-177.9	-79.9	165.6	0	0	0	114.3
352	L	28.5	Very low	28.2	Very low	159 Å²	159	126.3 Å²	126.3	83%	0.832	80%	0.797	S	S	*	*			trans	94.4	161.5	162.2	-47.6	-179.5	0	0	0	116.1
353	P	42.1	Very low	28.5	Very low	125 Å²	125	125.2 Å²	125.2	81%	0.812	80%	0.802	S	S	*	*				-139	170.1	-74.5	39.5	-22.3	0	0	0	115.1
354	A	24.8	Very low	29.1	Very low	109 Å²	109	125.1 Å²	125.1	90%	0.901	81%	0.807	S	S	*	*			trans	-151.6	161.3	165.1	0	0	0	0	0	111.7
355	A	26.9	Very low	29.5	Very low	110 Å²	110	125.7 Å²	125.7	91%	0.909	82%	0.815	S	S	*	*			trans	-136.2	154.3	-172.8	0	0	0	0	0	113.1
356	G	26.7	Very low	30.1	Very low	75 Å²	75	129.9 Å²	129.9	77%	0.773	82%	0.819	S	S	*	*			trans	173.3	84.2	175.8	0	0	0	0	0	118.3
357	K	30.3	Very low	30.8	Very low	180 Å²	180	134.9 Å²	134.9	78%	0.783	83%	0.829	S	S	*	*			trans	50.9	121.3	145.8	-71.8	178.1	158.9	-100.4	0	123.5
358	E	25.8	Very low	31.4	Very low	171 Å²	171	131 Å²	131	80%	0.799	82%	0.824	S	S	*	*				62.9	120.6	125.4	-58.8	176.5	110	0	0	121.5
359	G	27.3	Very low	32.3	Very low	82 Å²	82	129.2 Å²	129.2	85%	0.845	83%	0.828	S	S	*	*			trans	164.9	112.6	166.6	0	0	0	0	0	113.2
360	A	30.9	Very low	33.1	Very low	98 Å²	98	128.3 Å²	128.3	81%	0.81	82%	0.816	S	S	*	*			trans	-153.6	163.3	176.8	0	0	0	0	0	109.7
361	P	41.4	Very low	34.5	Very low	130 Å²	130	126.5 Å²	126.5	84%	0.844	82%	0.815	S	S	*	*			cis	-105.7	-157.8	-0.2	38.5	-23.5	0	0	0	110.9
362	A	28.3	Very low	36.2	Very low	89 Å²	89	126.5 Å²	126.5	74%	0.736	81%	0.81	S	S	*	*			cis	-157.6	170.5	9.8	0	0	0	0	0	114.1
363	S	32.3	Very low	37.6	Very low	123 Å²	123	125.7 Å²	125.7	86%	0.86	81%	0.812	S	S	*	*			trans	48.3	88	147.8	-158	0	0	0	0	120.6
364	A	37	Very low	39	Very low	90 Å²	90	124.4 Å²	124.4	74%	0.744	80%	0.801	S	S	*	*			trans	-158.4	102.4	142.7	0	0	0	0	0	110.8	R366	A364-R366 PolarHBondContact O-N 3.33Å
365	L	38.1	Very low	41.2	Very low	171 Å²	171	123.3 Å²	123.3	90%	0.895	78%	0.78	S	S	*	*			trans	-76.5	86.6	-175.2	-174.5	65.4	0	0	0	112.4	K367	L365-K367 PolarHBondContact O-N 2.79Å
366	R	37.8	Very low	43.3	Very low	236 Å²	236	126.3 Å²	126.3	89%	0.891	78%	0.775	S	S	*	*			trans	-74	108.3	164.8	-76.4	-81	178.5	157.2	-2.4	109.4	A364 A368	A364-R366 PolarHBondContact O-N 3.33Å; R366-A368 PolarHBondContact O-N 3.18Å
367	K	38.6	Very low	45.4	Very low	199 Å²	199	129.9 Å²	129.9	87%	0.865	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-64.6	117.6	170.8	-119.4	179.3	-179.8	179.9	0	109.3	L365	L365-K367 PolarHBondContact O-N 2.79Å
368	A	39.5	Very low	47.1	Very low	94 Å²	94	124.8 Å²	124.8	78%	0.777	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-65.2	148.5	170.4	0	0	0	0	0	110.3	R366 S370	R366-A368 PolarHBondContact O-N 3.18Å; A368-S370 PolarHBondContact O-N 3.29Å
369	G	44.3	Very low	49.5	Very low	79 Å²	79	121.7 Å²	121.7	81%	0.814	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-65.9	125	-179.2	0	0	0	0	0	111.8	A371	G369-A371 PolarHBondContact O-N 3.02Å
370	S	42.9	Very low	51.9	Low	86 Å²	86	123.2 Å²	123.2	60%	0.601	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-64.8	122.6	165.5	57.2	0	0	0	0	108.9	A368 Q372	A368-S370 PolarHBondContact O-N 3.29Å; S370-Q372 PolarHBondContact O-N 2.99Å; S370-Q372 PolarHBondContact OG-NE2 3.08Å
371	A	56	Low	54.4	Low	99 Å²	99	123.4 Å²	123.4	82%	0.818	73%	0.734	S	S	*	*			trans	-65.3	91.9	158.3	0	0	0	0	0	107.7	G369 V373	G369-A371 PolarHBondContact O-N 3.02Å; A371-V373 PolarHBondContact O-N 3.26Å
372	Q	60.8	Low	56.7	Low	151 Å²	151	119 Å²	119	71%	0.706	71%	0.712	S	S	*	*			trans	-61.2	117.9	170	-67.5	-77.5	-37.7	0	0	106.7	S370 V374	S370-Q372 PolarHBondContact O-N 2.99Å; S370-Q372 PolarHBondContact OG-NE2 3.08Å; Q372-V374 PolarHBondContact O-N 3.37Å
373	V	57.5	Low	59.6	Low	143 Å²	143	116.3 Å²	116.3	87%	0.867	68%	0.684	S	S	*	*			trans	-69	101.9	169.3	179	0	0	0	0	106	A371 D375	A371-V373 PolarHBondContact O-N 3.26Å; V373-D375 PolarHBondContact O-N 3.41Å
374	V	71.4	Confident	62.3	Low	97 Å²	97	113.3 Å²	113.3	59%	0.588	66%	0.656	S	S	*	*			trans	-68.3	118.5	178.5	179.6	0	0	0	0	107.6	Q372 E376 V379	Q372-V374 PolarHBondContact O-N 3.37Å; V374-E376 PolarHBondContact O-N 3.17Å; V374-V379 HydrophobicContact CG1-CG2 3.86Å
375	D	71.4	Confident	64.8	Low	87 Å²	87	113.7 Å²	113.7	47%	0.465	64%	0.643	S	S	.	*			trans	-65.6	106	169.9	170.5	28.5	0	0	0	109	V373 L377 S378	V373-D375 PolarHBondContact O-N 3.41Å; D375-L377 PolarHBondContact O-N 3.23Å; D375-L377 VanDerWaalsContact O-N 3.16Å; D375-L377 WeakPolarHBondContact OD1-CB 3.17Å; D375-L377 PolarHBondContact OD1-N 2.71Å; D375-S378 WeakPolarHBondContact O-CB 3.47Å; D375-S378 PolarHBondContact O-N 2.68Å; D375-S378 PolarHBondContact O-OG 3.42Å; D375-S378 PolarHBondContact OD2-N 2.93Å
376	E	71.9	Confident	67.4	Low	172 Å²	172	106.2 Å²	106.2	80%	0.804	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-58.5	-27	179.8	-61.5	-174.5	169.2	0	0	112.2	V374 S378 V379	V374-E376 PolarHBondContact O-N 3.17Å; E376-S378 VanDerWaalsContact C-N 3.29Å; E376-S378 PolarHBondContact O-N 3Å; E376-V379 PolarHBondContact O-N 2.85Å
377	L	69.8	Low	70	Confident	151 Å²	151	95 Å²	95	79%	0.791	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-73.4	-20.5	177.6	-56.4	176.6	0	0	0	112.7	D375	D375-L377 PolarHBondContact O-N 3.23Å; D375-L377 VanDerWaalsContact O-N 3.16Å; D375-L377 WeakPolarHBondContact OD1-CB 3.17Å; D375-L377 PolarHBondContact OD1-N 2.71Å
378	S	65.4	Low	72.4	Confident	73 Å²	73	86 Å²	86	51%	0.51	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	-76.7	-22.4	173.1	75.9	0	0	0	0	113	D375 E376 T380	D375-S378 WeakPolarHBondContact O-CB 3.47Å; D375-S378 PolarHBondContact O-N 2.68Å; D375-S378 PolarHBondContact O-OG 3.42Å; D375-S378 PolarHBondContact OD2-N 2.93Å; E376-S378 VanDerWaalsContact C-N 3.29Å; E376-S378 PolarHBondContact O-N 3Å; S378-T380 VanDerWaalsContact C-N 3.29Å; S378-T380 PolarHBondContact O-N 3Å
379	V	76.1	Confident	74.8	Confident	105 Å²	105	83.9 Å²	83.9	64%	0.636	50%	0.503	S	S	*	.			trans	-80.4	74.2	-174.9	-170.4	0	0	0	0	110.6	V374 E376	V374-V379 HydrophobicContact CG1-CG2 3.86Å; E376-V379 PolarHBondContact O-N 2.85Å
380	T	77.6	Confident	77.1	Confident	114 Å²	114	80.1 Å²	80.1	70%	0.699	46%	0.464	S	S	*	.			trans	-113.8	136.4	179	59.2	0	0	0	0	111.4	S378	S378-T380 VanDerWaalsContact C-N 3.29Å; S378-T380 PolarHBondContact O-N 3Å
381	M	85.2	Confident	79.3	Confident	103 Å²	103	76 Å²	76	51%	0.507	44%	0.435	S	S	.	.			trans	-107.7	124.4	175.3	178.5	172.1	56.5	0	0	109.8	Q385 W386	M381-Q385 HydrophobicContact CG-CB 4.37Å; M381-Q385 HydrophobicContact CG-CG 4.32Å; M381-W386 HydrophobicContact CE-CB 4.1Å; M381-W386 HydrophobicContact CE-CG 4.36Å; M381-W386 HydrophobicContact CG-CB 4.14Å; M381-W386 HydrophobicContact SD-CB 3.97Å
382	G	89.1	Confident	81	Confident	37 Å²	37	75.8 Å²	75.8	38%	0.381	42%	0.417	S	S	.	.			trans	-76.3	158.9	179.8	0	0	0	0	0	113.4	Q384 Q385 W386	G382-Q384 VanDerWaalsContact C-N 3.27Å; G382-Q384 PolarHBondContact O-N 2.94Å; G382-Q385 PolarHBondContact O-N 3.21Å; G382-W386 WeakPolarHBondContact O-CB 3.4Å; G382-W386 PolarHBondContact O-N 2.85Å
383	F	89.3	Confident	82.4	Confident	33 Å²	33	74.3 Å²	74.3	15%	0.145	41%	0.405	C	S	.	.	H	α-helix	trans	-61	-32.5	176.1	171.8	-104.5	0	0	0	113.3	W386 L387 F417 A420 L421	F383-W386 AromaticContact CD2-CE3 3.85Å; F383-W386 HydrophobicContact CD2-CE3 3.85Å; F383-W386 HydrophobicContact CD2-CZ3 4.11Å; F383-W386 AromaticContact CE2-CE3 3.87Å; F383-W386 HydrophobicContact CE2-CE3 3.87Å; F383-W386 AromaticContact CE2-CZ3 3.66Å; F383-W386 HydrophobicContact CE2-CZ3 3.66Å; F383-L387 HydrophobicContact CE1-CD2 4.22Å; F383-L387 HydrophobicContact CZ-CD2 4.07Å; F383-L387 WeakPolarHBondContact O-CB 3.31Å; F383-L387 PolarHBondContact O-N 3.49Å; F383-L387 VanDerWaalsContact O-N 3.07Å; F383-F417 HydrophobicContact CB-CD2 4.4Å; F383-F417 HydrophobicContact CB-CE2 4.3Å; F383-F417 HydrophobicContact CD2-CB 4.2Å; F383-F417 AromaticContact CD2-CD2 3.89Å; F383-F417 HydrophobicContact CD2-CD2 3.89Å; F383-F417 HydrophobicContact CD2-CG 4.16Å; F383-F417 VanDerWaalsContact CE2-O 3.25Å; F383-F417 WeakPolarHBondContact CE2-O 3.36Å; F383-A420 HydrophobicContact CD1-CB 3.85Å; F383-A420 HydrophobicContact CD2-CB 3.81Å; F383-A420 HydrophobicContact CE1-CB 3.73Å; F383-A420 HydrophobicContact CE2-CB 3.68Å; F383-A420 HydrophobicContact CG-CB 3.9Å; F383-A420 HydrophobicContact CZ-CB 3.66Å; F383-L421 HydrophobicContact CE2-CB 4.3Å; F383-L421 HydrophobicContact CZ-CB 4.31Å
384	Q	88.7	Confident	83.9	Confident	59 Å²	59	67.5 Å²	67.5	28%	0.276	36%	0.364	S	S	.	.	H	α-helix	trans	-72.1	-49.8	175.5	-65.6	-61	-102.8	0	0	112.2	G382 W386 L387 A388	G382-Q384 VanDerWaalsContact C-N 3.27Å; G382-Q384 PolarHBondContact O-N 2.94Å; Q384-W386 PolarHBondContact O-N 2.99Å; Q384-L387 CarbonylContact O-C 3.58Å; Q384-L387 PolarHBondContact O-N 2.82Å; Q384-L387 VanDerWaalsContact O-N 3.09Å; Q384-A388 WeakPolarHBondContact O-CB 3.5Å; Q384-A388 PolarHBondContact O-N 3.25Å
385	Q	89.6	Confident	84.7	Confident	99 Å²	99	63 Å²	63	46%	0.463	34%	0.337	S	S	.	.	H	α-helix	trans	-56.5	-44.2	174.2	-171.1	-173.9	21.9	0	0	113.1	M381 G382 A388 S389 E473	M381-Q385 HydrophobicContact CG-CB 4.37Å; M381-Q385 HydrophobicContact CG-CG 4.32Å; G382-Q385 PolarHBondContact O-N 3.21Å; Q385-A388 WeakPolarHBondContact O-CB 3.46Å; Q385-A388 PolarHBondContact O-N 2.88Å; Q385-S389 PolarHBondContact O-N 2.97Å; Q385-E473 WeakPolarHBondContact CA-OE2 3.39Å
386	W	92.9	Very high	85.5	Confident	13 Å²	13	63.5 Å²	63.5	5%	0.049	34%	0.336	C	S	.	.	H	α-helix	trans	-59.2	-49.9	172.1	168.6	75.2	0	0	0	111.4	M381 G382 F383 Q384 A388 S389 V390 I413 F417 L559	M381-W386 HydrophobicContact CE-CB 4.1Å; M381-W386 HydrophobicContact CE-CG 4.36Å; M381-W386 HydrophobicContact CG-CB 4.14Å; M381-W386 HydrophobicContact SD-CB 3.97Å; G382-W386 WeakPolarHBondContact O-CB 3.4Å; G382-W386 PolarHBondContact O-N 2.85Å; F383-W386 AromaticContact CD2-CE3 3.85Å; F383-W386 HydrophobicContact CD2-CE3 3.85Å; F383-W386 HydrophobicContact CD2-CZ3 4.11Å; F383-W386 AromaticContact CE2-CE3 3.87Å; F383-W386 HydrophobicContact CE2-CE3 3.87Å; F383-W386 AromaticContact CE2-CZ3 3.66Å; F383-W386 HydrophobicContact CE2-CZ3 3.66Å; Q384-W386 PolarHBondContact O-N 2.99Å; W386-A388 VanDerWaalsContact C-N 3.26Å; W386-A388 PolarHBondContact O-N 3.26Å; W386-S389 PolarHBondContact O-N 3.07Å; W386-S389 VanDerWaalsContact O-N 3.11Å; W386-S389 PolarHBondContact O-OG 2.93Å; W386-V390 HydrophobicContact CD2-CG2 4.16Å; W386-V390 HydrophobicContact CH2-CG2 4.08Å; W386-V390 HydrophobicContact CZ2-CG2 3.53Å; W386-V390 WeakPolarHBondContact O-CG2 3.26Å; W386-V390 PolarHBondContact O-N 2.97Å; W386-I413 HydrophobicContact CH2-CD1 3.88Å; W386-I413 HydrophobicContact CZ2-CD1 3.9Å; W386-I413 HydrophobicContact CZ2-CG2 3.64Å; W386-F417 HydrophobicContact CB-CD2 4.11Å; W386-F417 HydrophobicContact CB-CE2 3.72Å; W386-F417 AromaticContact CD2-CD2 3.8Å; W386-F417 HydrophobicContact CD2-CD2 3.8Å; W386-F417 HydrophobicContact CD2-CE2 4.34Å; W386-F417 AromaticContact CE3-CD2 3.84Å; W386-F417 HydrophobicContact CE3-CD2 3.84Å; W386-F417 AromaticContact CG-CD2 3.89Å; W386-F417 HydrophobicContact CG-CD2 3.89Å; W386-F417 AromaticContact CG-CE2 3.95Å; W386-F417 HydrophobicContact CG-CE2 3.95Å; W386-L559 HydrophobicContact CH2-CD2 3.76Å; W386-L559 HydrophobicContact CZ2-CD2 4Å
387	L	91.5	Very high	86.2	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-64.1	-32.8	179.8	-173.9	60.8	0	0	0	111.9	F383 Q384 V390 T391 L421 F469 T471	F383-L387 HydrophobicContact CE1-CD2 4.22Å; F383-L387 HydrophobicContact CZ-CD2 4.07Å; F383-L387 WeakPolarHBondContact O-CB 3.31Å; F383-L387 PolarHBondContact O-N 3.49Å; F383-L387 VanDerWaalsContact O-N 3.07Å; Q384-L387 CarbonylContact O-C 3.58Å; Q384-L387 PolarHBondContact O-N 2.82Å; Q384-L387 VanDerWaalsContact O-N 3.09Å; L387-V390 WeakPolarHBondContact O-CB 3.3Å; L387-V390 PolarHBondContact O-N 3.42Å; L387-T391 PolarHBondContact O-N 3.43Å; L387-T391 PolarHBondContact O-OG1 2.79Å; L387-T391 VanDerWaalsContact O-OG1 3.1Å; L387-L421 HydrophobicContact CD1-CD1 4.35Å; L387-F469 HydrophobicContact CD1-CD1 3.7Å; L387-F469 HydrophobicContact CD1-CE1 4.03Å; L387-T471 HydrophobicContact CB-CG2 3.95Å; L387-T471 HydrophobicContact CD2-CG2 3.99Å; L387-T471 HydrophobicContact CG-CG2 3.81Å
388	A	89.6	Confident	86.9	Confident	11 Å²	11	49.6 Å²	49.6	9%	0.091	27%	0.269	C	S	.	.	H	α-helix	trans	-63	-44.4	172.2	0	0	0	0	0	110.8	Q384 Q385 W386 V390 T391 E392 T471 E473 L474	Q384-A388 WeakPolarHBondContact O-CB 3.5Å; Q384-A388 PolarHBondContact O-N 3.25Å; Q385-A388 WeakPolarHBondContact O-CB 3.46Å; Q385-A388 PolarHBondContact O-N 2.88Å; W386-A388 VanDerWaalsContact C-N 3.26Å; W386-A388 PolarHBondContact O-N 3.26Å; A388-V390 VanDerWaalsContact C-N 3.29Å; A388-V390 PolarHBondContact O-N 3.43Å; A388-T391 CarbonylContact O-C 3.49Å; A388-T391 WeakPolarHBondContact O-CB 3.42Å; A388-T391 PolarHBondContact O-N 3.36Å; A388-E392 WeakPolarHBondContact O-CB 3.49Å; A388-E392 PolarHBondContact O-N 3.18Å; A388-T471 HydrophobicContact CB-CG2 4.28Å; A388-E473 HydrophobicContact CB-CB 4.24Å; A388-L474 HydrophobicContact CB-CB 4.28Å
389	S	90.8	Very high	87.9	Confident	49 Å²	49	47.9 Å²	47.9	34%	0.343	25%	0.253	S	S	.	.	H	α-helix	trans	-65.2	-28.5	173.4	76	0	0	0	0	114	Q385 W386 R393	Q385-S389 PolarHBondContact O-N 2.97Å; W386-S389 PolarHBondContact O-N 3.07Å; W386-S389 VanDerWaalsContact O-N 3.11Å; W386-S389 PolarHBondContact O-OG 2.93Å; S389-R393 WeakPolarHBondContact O-CB 3.07Å; S389-R393 PolarHBondContact O-N 3.12Å
390	V	91.4	Very high	88.3	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-69.5	-45	171.6	174.2	0	0	0	0	110.3	W386 L387 A388 R393 I394 Y411 F469 I561	W386-V390 HydrophobicContact CD2-CG2 4.16Å; W386-V390 HydrophobicContact CH2-CG2 4.08Å; W386-V390 HydrophobicContact CZ2-CG2 3.53Å; W386-V390 WeakPolarHBondContact O-CG2 3.26Å; W386-V390 PolarHBondContact O-N 2.97Å; L387-V390 WeakPolarHBondContact O-CB 3.3Å; L387-V390 PolarHBondContact O-N 3.42Å; A388-V390 VanDerWaalsContact C-N 3.29Å; A388-V390 PolarHBondContact O-N 3.43Å; V390-R393 PolarHBondContact O-N 2.98Å; V390-I394 HydrophobicContact CG1-CD1 4.2Å; V390-I394 WeakPolarHBondContact O-CG1 3.34Å; V390-I394 PolarHBondContact O-N 3.04Å; V390-Y411 HydrophobicContact CG1-CE2 4.06Å; V390-Y411 HydrophobicContact CG2-CD1 4.36Å; V390-Y411 HydrophobicContact CG2-CE1 3.9Å; V390-Y411 HydrophobicContact CG2-CE2 4.21Å; V390-F469 HydrophobicContact CG1-CD1 4.16Å; V390-F469 HydrophobicContact CG1-CE1 3.83Å; V390-I561 HydrophobicContact CG1-CD1 3.6Å
391	T	90.3	Very high	88.6	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60.4	-43.8	174	-63.8	0	0	0	0	111.2	L387 A388 R393 I394 H395 F469 L474 L476	L387-T391 PolarHBondContact O-N 3.43Å; L387-T391 PolarHBondContact O-OG1 2.79Å; L387-T391 VanDerWaalsContact O-OG1 3.1Å; A388-T391 CarbonylContact O-C 3.49Å; A388-T391 WeakPolarHBondContact O-CB 3.42Å; A388-T391 PolarHBondContact O-N 3.36Å; T391-R393 PolarHBondContact O-N 3.32Å; T391-I394 WeakPolarHBondContact O-CB 3.27Å; T391-I394 PolarHBondContact O-N 2.96Å; T391-H395 VanDerWaalsContact O-CG 3.32Å; T391-H395 PolarHBondContact O-N 2.92Å; T391-H395 PolarHBondContact O-ND1 3.34Å; T391-F469 PolarHBondContact OG1-O 3.38Å; T391-L474 HydrophobicContact CG2-CD2 3.97Å; T391-L474 HydrophobicContact CG2-CG 4.02Å; T391-L476 HydrophobicContact CG2-CB 4.41Å; T391-L476 HydrophobicContact CG2-CD1 3.92Å
392	E	90.6	Very high	88.6	Confident	95 Å²	95	44.6 Å²	44.6	44%	0.444	22%	0.219	S	C	.	.	H	α-helix	trans	-61.2	-42.6	175.5	-163.6	-160.9	176.4	0	0	111.6	A388 H395 Q396 L474	A388-E392 WeakPolarHBondContact O-CB 3.49Å; A388-E392 PolarHBondContact O-N 3.18Å; E392-H395 CarbonylContact O-C 3.55Å; E392-H395 WeakPolarHBondContact O-CB 3.48Å; E392-H395 PolarHBondContact O-N 3.41Å; E392-Q396 VanDerWaalsContact CD-NE2 3.29Å; E392-Q396 VanDerWaalsContact O-CG 3.3Å; E392-Q396 WeakPolarHBondContact O-CG 3.47Å; E392-Q396 PolarHBondContact O-N 3.05Å; E392-Q396 PolarHBondContact OE1-NE2 2.91Å; E392-L474 HydrophobicContact CB-CD2 3.68Å; E392-L474 HydrophobicContact CG-CD2 4.21Å
393	R	89.9	Confident	88.1	Confident	119 Å²	119	48.9 Å²	48.9	45%	0.449	23%	0.233	S	C	.	.	H	α-helix	trans	-68.2	-35.3	176.7	-171.5	170.4	-65.1	175.5	-1.8	112.7	S389 V390 T391 H395 Q396 T397 L409 Y411	S389-R393 WeakPolarHBondContact O-CB 3.07Å; S389-R393 PolarHBondContact O-N 3.12Å; V390-R393 PolarHBondContact O-N 2.98Å; T391-R393 PolarHBondContact O-N 3.32Å; R393-H395 VanDerWaalsContact C-N 3.32Å; R393-Q396 PolarHBondContact O-N 3.44Å; R393-T397 PolarHBondContact O-N 2.91Å; R393-T397 PolarHBondContact O-OG1 3Å; R393-L409 HydrophobicContact CG-CD1 4.13Å; R393-L409 HydrophobicContact CG-CD2 4.04Å; R393-Y411 WeakPolarHBondContact CD-OH 2.89Å
394	I	89.3	Confident	87.6	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-58.7	-47.2	170.1	-70	165	0	0	0	109.3	V390 T391 T397 M398 L409 F469 L476 F542 I561 F563	V390-I394 HydrophobicContact CG1-CD1 4.2Å; V390-I394 WeakPolarHBondContact O-CG1 3.34Å; V390-I394 PolarHBondContact O-N 3.04Å; T391-I394 WeakPolarHBondContact O-CB 3.27Å; T391-I394 PolarHBondContact O-N 2.96Å; I394-T397 PolarHBondContact O-N 3.19Å; I394-T397 PolarHBondContact O-OG1 3.21Å; I394-M398 HydrophobicContact CG2-SD 4.14Å; I394-M398 WeakPolarHBondContact O-CG 3.48Å; I394-M398 PolarHBondContact O-N 3.31Å; I394-L409 HydrophobicContact CG1-CD1 3.75Å; I394-F469 HydrophobicContact CD1-CD1 3.97Å; I394-F469 HydrophobicContact CD1-CE1 4.06Å; I394-F469 HydrophobicContact CD1-CG 4.26Å; I394-F469 HydrophobicContact CD1-CZ 4.43Å; I394-L476 HydrophobicContact CG2-CD1 4.2Å; I394-F542 HydrophobicContact CD1-CZ 4.21Å; I394-I561 HydrophobicContact CD1-CG2 4.49Å; I394-F563 HydrophobicContact CB-CE1 4.46Å; I394-F563 HydrophobicContact CB-CZ 4.35Å; I394-F563 HydrophobicContact CG1-CE1 4.01Å; I394-F563 HydrophobicContact CG1-CZ 4.39Å; I394-F563 HydrophobicContact CG2-CE1 4.17Å; I394-F563 HydrophobicContact CG2-CE2 4.36Å; I394-F563 HydrophobicContact CG2-CZ 3.85Å
395	H	89.3	Confident	87.3	Confident	4 Å²	4	50.1 Å²	50.1	2%	0.019	24%	0.237	C	C	.	.	H	α-helix	trans	-61.4	-47.6	175.3	-65.9	158.8	0	0	0	113	T391 E392 R393 T397 M398 P475 E477 Q480 R492	T391-H395 VanDerWaalsContact O-CG 3.32Å; T391-H395 PolarHBondContact O-N 2.92Å; T391-H395 PolarHBondContact O-ND1 3.34Å; E392-H395 CarbonylContact O-C 3.55Å; E392-H395 WeakPolarHBondContact O-CB 3.48Å; E392-H395 PolarHBondContact O-N 3.41Å; R393-H395 VanDerWaalsContact C-N 3.32Å; H395-T397 PolarHBondContact O-N 3.07Å; H395-M398 PolarHBondContact O-N 3.34Å; H395-P475 PolarHBondContact CE1-O 3.43Å; H395-E477 WeakPolarHBondContact NE2-CB 3.09Å; H395-E477 PolarHBondContact NE2-N 3.05Å; H395-E477 VanDerWaalsContact NE2-N 3.14Å; H395-E477 PolarHBondContact NE2-O 2.63Å; H395-Q480 PolarHBondContact O-OE1 2.96Å; H395-Q480 VanDerWaalsContact O-OE1 3.11Å; H395-R492 PolarHBondContact O-NH2 3.39Å
396	Q	87.9	Confident	87.1	Confident	96 Å²	96	46.6 Å²	46.6	45%	0.449	22%	0.223	S	C	.	.	H	α-helix	trans	-59.1	-34.6	178.4	-71.8	170.3	7	0	0	112.1	E392 R393	E392-Q396 VanDerWaalsContact CD-NE2 3.29Å; E392-Q396 VanDerWaalsContact O-CG 3.3Å; E392-Q396 WeakPolarHBondContact O-CG 3.47Å; E392-Q396 PolarHBondContact O-N 3.05Å; E392-Q396 PolarHBondContact OE1-NE2 2.91Å; R393-Q396 PolarHBondContact O-N 3.44Å
397	T	87.1	Confident	86.7	Confident	31 Å²	31	54.2 Å²	54.2	19%	0.19	26%	0.259	C	S	.	.	H	α-helix	trans	-79.2	-19.5	174.7	44.9	0	0	0	0	114	R393 I394 H395 H399 L409 F565	R393-T397 PolarHBondContact O-N 2.91Å; R393-T397 PolarHBondContact O-OG1 3Å; I394-T397 PolarHBondContact O-N 3.19Å; I394-T397 PolarHBondContact O-OG1 3.21Å; H395-T397 PolarHBondContact O-N 3.07Å; T397-H399 PolarHBondContact O-N 3.41Å; T397-H399 VanDerWaalsContact O-N 3.1Å; T397-L409 HydrophobicContact CG2-CD2 4.11Å; T397-F565 WeakPolarHBondContact O-CE1 3.41Å; T397-F565 WeakPolarHBondContact O-CZ 3.22Å
398	M	84.2	Confident	86.5	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.005	28%	0.279	C	S	.	.	S	Bend	trans	-79.1	32.5	171.4	-73.1	179.8	57.5	0	0	113.9	I394 H395 T523 L525 F563 F565	I394-M398 HydrophobicContact CG2-SD 4.14Å; I394-M398 WeakPolarHBondContact O-CG 3.48Å; I394-M398 PolarHBondContact O-N 3.31Å; H395-M398 PolarHBondContact O-N 3.34Å; M398-T523 WeakPolarHBondContact O-CB 3.3Å; M398-T523 VanDerWaalsContact O-CG2 3.28Å; M398-T523 WeakPolarHBondContact O-CG2 3.4Å; M398-T523 PolarHBondContact O-OG1 2.99Å; M398-L525 HydrophobicContact CE-CB 4.12Å; M398-L525 HydrophobicContact SD-CB 4.35Å; M398-L525 HydrophobicContact SD-CD1 3.93Å; M398-F563 HydrophobicContact CG-CE2 3.89Å; M398-F563 HydrophobicContact SD-CE2 4.45Å; M398-F565 HydrophobicContact CE-CB 4.47Å; M398-F565 HydrophobicContact CG-CB 4.3Å; M398-F565 HydrophobicContact CG-CD1 3.96Å; M398-F565 HydrophobicContact CG-CE1 4.38Å; M398-F565 HydrophobicContact CG-CG 4.11Å
399	H	85.7	Confident	86.4	Confident	36 Å²	36	57.5 Å²	57.5	17%	0.167	28%	0.279	C	S	.	.			trans	-75.7	138.9	178.6	-151.5	-114.1	0	0	0	112.2	T397 Q401 F402 F482 Y490	T397-H399 PolarHBondContact O-N 3.41Å; T397-H399 VanDerWaalsContact O-N 3.1Å; H399-Q401 PolarHBondContact CE1-OE1 3.42Å; H399-Q401 PolarHBondContact ND1-OE1 3.06Å; H399-Q401 PolarHBondContact O-N 2.95Å; H399-F402 HydrophobicContact CB-CD2 3.58Å; H399-F402 HydrophobicContact CB-CE2 3.55Å; H399-F402 PolarHBondContact O-N 3.26Å; H399-F402 VanDerWaalsContact O-N 3.13Å; H399-F482 AromaticContact CD2-CE1 3.29Å; H399-F482 WeakPolarHBondContact CD2-CE1 3.42Å; H399-F482 AromaticContact CD2-CZ 3.93Å; H399-F482 AromaticContact NE2-CD1 3.9Å; H399-F482 AromaticContact NE2-CE1 3.53Å; H399-Y490 PolarHBondContact CE1-O 2.96Å; H399-Y490 VanDerWaalsContact CE1-O 3.26Å; H399-Y490 PolarHBondContact NE2-O 2.89Å
400	Y	83.5	Confident	86.4	Confident	35 Å²	35	58 Å²	58	14%	0.137	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-11.2	-178.5	-163.6	-84.3	0	0	0	114.3	Y490 H521 R522 T523 H567	Y400-Y490 AromaticContact CD1-CD1 3.64Å; Y400-Y490 HydrophobicContact CD1-CD1 3.64Å; Y400-Y490 HydrophobicContact CD1-CD2 4.38Å; Y400-Y490 AromaticContact CD1-CE1 3.36Å; Y400-Y490 HydrophobicContact CD1-CE1 3.36Å; Y400-Y490 HydrophobicContact CD1-CE2 4.15Å; Y400-Y490 HydrophobicContact CD1-CG 4.14Å; Y400-Y490 AromaticContact CD1-CZ 3.64Å; Y400-Y490 HydrophobicContact CE1-CD1 4.35Å; Y400-Y490 AromaticContact CE1-CE1 3.65Å; Y400-Y490 HydrophobicContact CE1-CE1 3.65Å; Y400-Y490 AromaticContact CE1-CZ 3.84Å; Y400-Y490 HydrophobicContact CG-CD1 4.14Å; Y400-Y490 HydrophobicContact CG-CE1 4.27Å; Y400-H521 HydrophobicContact CD1-CB 4.08Å; Y400-H521 HydrophobicContact CD2-CB 3.71Å; Y400-H521 HydrophobicContact CE1-CB 3.99Å; Y400-H521 AromaticContact CE1-CG 3.98Å; Y400-H521 AromaticContact CE1-ND1 3.45Å; Y400-H521 WeakPolarHBondContact CE1-ND1 3.1Å; Y400-H521 HydrophobicContact CE2-CB 3.58Å; Y400-H521 AromaticContact CE2-ND1 3.97Å; Y400-H521 HydrophobicContact CG-CB 3.99Å; Y400-H521 AromaticContact CZ-CG 3.87Å; Y400-H521 AromaticContact CZ-ND1 3.25Å; Y400-H521 VanDerWaalsContact CZ-ND1 3.25Å; Y400-H521 PolarHBondContact OH-ND1 2.72Å; Y400-H521 VanDerWaalsContact OH-ND1 3.12Å; Y400-R522 WeakPolarHBondContact CE2-O 3.28Å; Y400-T523 HydrophobicContact CD2-CG2 3.9Å; Y400-T523 HydrophobicContact CG-CG2 4.33Å; Y400-H567 AromaticContact CD2-CD2 3.56Å; Y400-H567 HydrophobicContact CE2-CB 4.04Å; Y400-H567 AromaticContact CE2-CD2 3.78Å; Y400-H567 AromaticContact CG-CD2 3.88Å
401	Q	84.6	Confident	86.3	Confident	104 Å²	104	59 Å²	59	49%	0.486	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-11.9	177.3	-70.5	175.5	-48.6	0	0	114.4	H399 Y490	H399-Q401 PolarHBondContact CE1-OE1 3.42Å; H399-Q401 PolarHBondContact ND1-OE1 3.06Å; H399-Q401 PolarHBondContact O-N 2.95Å; Q401-Y490 HydrophobicContact CG-CD2 3.54Å; Q401-Y490 HydrophobicContact CG-CE2 4.26Å; Q401-Y490 HydrophobicContact CG-CG 4.35Å
402	F	84.8	Confident	86.3	Confident	115 Å²	115	64.3 Å²	64.3	50%	0.504	31%	0.308	S	S	.	.	S	Bend	trans	-94.6	172.1	-179.3	-58.3	-54.5	0	0	0	111.8	H399 G404 F565 H567	H399-F402 HydrophobicContact CB-CD2 3.58Å; H399-F402 HydrophobicContact CB-CE2 3.55Å; H399-F402 PolarHBondContact O-N 3.26Å; H399-F402 VanDerWaalsContact O-N 3.13Å; F402-G404 VanDerWaalsContact C-N 3.35Å; F402-G404 PolarHBondContact O-N 2.82Å; F402-F565 HydrophobicContact CB-CZ 4.12Å; F402-H567 PolarHBondContact O-CE1 2.88Å; F402-H567 PolarHBondContact O-NE2 3.38Å
403	D	79.4	Confident	86.3	Confident	126 Å²	126	60 Å²	60	67%	0.674	29%	0.288	S	S	*	.			trans	-77.5	-15.4	-174.8	62.2	-0.8	0	0	0	114.7	K405	D403-K405 PolarHBondContact OD1-N 2.87Å
404	G	78.6	Confident	86.2	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.28	C	S	.	.	S	Bend	trans	93.4	5.1	-174.5	0	0	0	0	0	115	F402 E564 F565	F402-G404 VanDerWaalsContact C-N 3.35Å; F402-G404 PolarHBondContact O-N 2.82Å; G404-E564 CarbonylContact O-C 3.57Å; G404-E564 WeakPolarHBondContact O-CA 3.47Å; G404-F565 WeakPolarHBondContact CA-O 3.46Å; G404-F565 PolarHBondContact O-N 3.15Å
405	K	83.1	Confident	86.1	Confident	118 Å²	118	58.6 Å²	58.6	51%	0.513	29%	0.29	S	S	.	.			trans	-123.8	68.2	175.5	-64	-156.4	-179	-139.8	0	111.2	D403 E564	D403-K405 PolarHBondContact OD1-N 2.87Å; K405-E564 WeakPolarHBondContact CD-OE1 3.09Å; K405-E564 WeakPolarHBondContact CE-OE1 3.46Å; K405-E564 HydrophobicContact CG-CG 4.27Å; K405-E564 IonicContact NZ-OE1 3.64Å; K405-E564 PolarHBondContact NZ-OE1 3.33Å; K405-E564 IonicContact NZ-OE2 3.4Å
406	P	85	Confident	86	Confident	26 Å²	26	63.9 Å²	63.9	17%	0.169	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-62.5	149.4	-177.9	28.1	-34.8	0	0	0	111.9	F563 F565	P406-F563 HydrophobicContact CG-CD2 4.12Å; P406-F563 HydrophobicContact CG-CE1 4.4Å; P406-F563 HydrophobicContact CG-CE2 3.7Å; P406-F563 HydrophobicContact CG-CZ 3.86Å; P406-F565 HydrophobicContact CG-CD1 4.19Å; P406-F565 HydrophobicContact CG-CE1 4Å
407	Q	83.6	Confident	86.1	Confident	172 Å²	172	61.3 Å²	61.3	80%	0.804	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-61.2	145.6	173.4	-65.8	-173.1	6.7	0	0	110.7	L409	Q407-L409 PolarHBondContact O-N 3.11Å
408	P	87.2	Confident	86.1	Confident	64 Å²	64	60 Å²	60	42%	0.416	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-52.4	125.3	178.3	-29.2	36.5	0	0	0	112.7	V410 I561 S562	P408-V410 PolarHBondContact O-N 3.32Å; P408-I561 CarbonylContact C-O 3.5Å; P408-I561 WeakPolarHBondContact CA-O 3.43Å; P408-S562 WeakPolarHBondContact CB-OG 3.47Å
409	L	88.9	Confident	86.2	Confident	17 Å²	17	62 Å²	62	9%	0.089	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	109.3	176.1	-57.3	-178.7	0	0	0	108.8	R393 I394 T397 Q407 Y411 R560 I561 F563	R393-L409 HydrophobicContact CG-CD1 4.13Å; R393-L409 HydrophobicContact CG-CD2 4.04Å; I394-L409 HydrophobicContact CG1-CD1 3.75Å; T397-L409 HydrophobicContact CG2-CD2 4.11Å; Q407-L409 PolarHBondContact O-N 3.11Å; L409-Y411 HydrophobicContact CB-CD2 4.48Å; L409-Y411 HydrophobicContact CB-CE2 3.63Å; L409-R560 WeakPolarHBondContact O-CA 3.37Å; L409-I561 HydrophobicContact CB-CB 4.34Å; L409-I561 PolarHBondContact N-O 3.32Å; L409-I561 PolarHBondContact O-N 3.36Å; L409-F563 HydrophobicContact CD1-CE1 4.06Å; L409-F563 HydrophobicContact CG-CE1 4.47Å
410	V	89.8	Confident	86.3	Confident	58 Å²	58	61.2 Å²	61.2	35%	0.352	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	130	179.3	-170.7	0	0	0	0	110.3	P408 E558 L559 R560	P408-V410 PolarHBondContact O-N 3.32Å; V410-E558 HydrophobicContact CG1-CG 3.57Å; V410-L559 WeakPolarHBondContact CA-O 3.31Å; V410-R560 HydrophobicContact CG1-CG 4.49Å; V410-R560 HydrophobicContact CG2-CG 4.24Å
411	Y	89.7	Confident	86.5	Confident	21 Å²	21	59.5 Å²	59.5	8%	0.082	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	136.7	175.9	-56.2	-91.6	0	0	0	110.3	V390 R393 L409 L559 I561	V390-Y411 HydrophobicContact CG1-CE2 4.06Å; V390-Y411 HydrophobicContact CG2-CD1 4.36Å; V390-Y411 HydrophobicContact CG2-CE1 3.9Å; V390-Y411 HydrophobicContact CG2-CE2 4.21Å; R393-Y411 WeakPolarHBondContact CD-OH 2.89Å; L409-Y411 HydrophobicContact CB-CD2 4.48Å; L409-Y411 HydrophobicContact CB-CE2 3.63Å; Y411-L559 PolarHBondContact N-O 2.77Å; Y411-L559 PolarHBondContact O-N 2.97Å; Y411-I561 HydrophobicContact CE2-CD1 4.13Å
412	H	89.6	Confident	86.5	Confident	112 Å²	112	56.1 Å²	56.1	52%	0.519	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	119	167.3	-60.7	95.3	0	0	0	108	G557	H412-G557 WeakPolarHBondContact CA-O 3.29Å
413	I	90.7	Very high	86.3	Confident	4 Å²	4	57.4 Å²	57.4	2%	0.021	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	154.5	-173.2	61.1	170.2	0	0	0	112.4	W386 F417 F418 W546 M556 G557 L559	W386-I413 HydrophobicContact CH2-CD1 3.88Å; W386-I413 HydrophobicContact CZ2-CD1 3.9Å; W386-I413 HydrophobicContact CZ2-CG2 3.64Å; I413-F417 HydrophobicContact CB-CB 4.32Å; I413-F417 HydrophobicContact CD1-CB 4.14Å; I413-F418 HydrophobicContact CD1-CB 4.31Å; I413-W546 HydrophobicContact CD1-CH2 4.34Å; I413-W546 HydrophobicContact CD1-CZ3 3.89Å; I413-W546 HydrophobicContact CG1-CH2 3.75Å; I413-W546 HydrophobicContact CG1-CZ3 3.5Å; I413-M556 VanDerWaalsContact C-SD 3.5Å; I413-M556 VanDerWaalsContact O-CA 3.28Å; I413-M556 WeakPolarHBondContact O-CA 3.25Å; I413-G557 PolarHBondContact N-O 2.74Å; I413-G557 PolarHBondContact O-N 2.86Å; I413-L559 HydrophobicContact CD1-CB 4.02Å; I413-L559 HydrophobicContact CD1-CD2 3.87Å; I413-L559 HydrophobicContact CD1-CG 4.48Å; I413-L559 HydrophobicContact CG1-CB 4.28Å
414	P	89.5	Confident	86.5	Confident	44 Å²	44	53.6 Å²	53.6	29%	0.286	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	146	174.6	-20.5	31.2	0	0	0	111.5	E416 F417 F418 M556	P414-E416 PolarHBondContact O-N 2.71Å; P414-E416 VanDerWaalsContact O-N 3.07Å; P414-F417 HydrophobicContact CB-CD1 4Å; P414-F417 HydrophobicContact CG-CD1 3.81Å; P414-F417 HydrophobicContact CG-CE1 4.14Å; P414-F417 HydrophobicContact CG-CG 4.43Å; P414-F417 WeakPolarHBondContact O-CB 3.35Å; P414-F417 PolarHBondContact O-N 2.91Å; P414-F418 PolarHBondContact O-N 2.85Å; P414-M556 HydrophobicContact CB-SD 4.16Å; P414-M556 HydrophobicContact CG-CE 4.11Å; P414-M556 HydrophobicContact CG-SD 3.72Å
415	Q	85.3	Confident	86.6	Confident	46 Å²	46	54 Å²	54	22%	0.215	27%	0.268	C	S	.	.	H	α-helix	trans	-54	-30.3	175.5	-178.3	56.5	67.2	0	0	112.5	F418 N419 Q555	Q415-F418 PolarHBondContact O-N 2.85Å; Q415-N419 PolarHBondContact NE2-OD1 2.69Å; Q415-N419 PolarHBondContact O-N 2.7Å; Q415-N419 PolarHBondContact O-ND2 2.81Å; Q415-N419 PolarHBondContact O-OD1 3.5Å; Q415-Q555 PolarHBondContact N-O 2.82Å
416	E	87.4	Confident	86.1	Confident	116 Å²	116	49 Å²	49	54%	0.542	25%	0.248	S	C	.	.	H	α-helix	trans	-70.5	-31.8	175.5	-63.7	-56.3	158.2	0	0	114.3	P414 F418 N419 A420	P414-E416 PolarHBondContact O-N 2.71Å; P414-E416 VanDerWaalsContact O-N 3.07Å; E416-F418 VanDerWaalsContact C-N 3.33Å; E416-N419 VanDerWaalsContact CD-ND2 3.27Å; E416-N419 WeakPolarHBondContact O-CB 3.49Å; E416-N419 PolarHBondContact O-N 2.83Å; E416-N419 PolarHBondContact OE1-ND2 3.24Å; E416-N419 PolarHBondContact OE2-ND2 2.93Å; E416-A420 PolarHBondContact O-N 2.92Å
417	F	89.8	Confident	84.9	Confident	41 Å²	41	52.8 Å²	52.8	18%	0.18	27%	0.266	C	S	.	.	H	α-helix	trans	-68.4	-38.7	172.8	-79.8	56.2	0	0	0	109.6	F383 W386 I413 P414 A420 L421	F383-F417 HydrophobicContact CB-CD2 4.4Å; F383-F417 HydrophobicContact CB-CE2 4.3Å; F383-F417 HydrophobicContact CD2-CB 4.2Å; F383-F417 AromaticContact CD2-CD2 3.89Å; F383-F417 HydrophobicContact CD2-CD2 3.89Å; F383-F417 HydrophobicContact CD2-CG 4.16Å; F383-F417 VanDerWaalsContact CE2-O 3.25Å; F383-F417 WeakPolarHBondContact CE2-O 3.36Å; W386-F417 HydrophobicContact CB-CD2 4.11Å; W386-F417 HydrophobicContact CB-CE2 3.72Å; W386-F417 AromaticContact CD2-CD2 3.8Å; W386-F417 HydrophobicContact CD2-CD2 3.8Å; W386-F417 HydrophobicContact CD2-CE2 4.34Å; W386-F417 AromaticContact CE3-CD2 3.84Å; W386-F417 HydrophobicContact CE3-CD2 3.84Å; W386-F417 AromaticContact CG-CD2 3.89Å; W386-F417 HydrophobicContact CG-CD2 3.89Å; W386-F417 AromaticContact CG-CE2 3.95Å; W386-F417 HydrophobicContact CG-CE2 3.95Å; I413-F417 HydrophobicContact CB-CB 4.32Å; I413-F417 HydrophobicContact CD1-CB 4.14Å; P414-F417 HydrophobicContact CB-CD1 4Å; P414-F417 HydrophobicContact CG-CD1 3.81Å; P414-F417 HydrophobicContact CG-CE1 4.14Å; P414-F417 HydrophobicContact CG-CG 4.43Å; P414-F417 WeakPolarHBondContact O-CB 3.35Å; P414-F417 PolarHBondContact O-N 2.91Å; F417-A420 PolarHBondContact O-N 3.09Å; F417-L421 WeakPolarHBondContact O-CB 3.25Å; F417-L421 PolarHBondContact O-N 3.14Å
418	F	88.5	Confident	83.3	Confident	3 Å²	3	48.9 Å²	48.9	1%	0.013	27%	0.272	C	S	.	.	H	α-helix	trans	-66.5	-37.8	170.8	-172.8	-97	0	0	0	112.8	I413 P414 Q415 E416 A420 L421 Q422 W457 W546 L559	I413-F418 HydrophobicContact CD1-CB 4.31Å; P414-F418 PolarHBondContact O-N 2.85Å; Q415-F418 PolarHBondContact O-N 2.85Å; E416-F418 VanDerWaalsContact C-N 3.33Å; F418-A420 VanDerWaalsContact C-N 3.32Å; F418-A420 PolarHBondContact O-N 2.85Å; F418-L421 HydrophobicContact CD2-CD2 4.27Å; F418-L421 HydrophobicContact CE2-CD2 4.33Å; F418-L421 PolarHBondContact O-N 3.5Å; F418-Q422 HydrophobicContact CE1-CB 4.05Å; F418-Q422 HydrophobicContact CZ-CB 4.36Å; F418-Q422 WeakPolarHBondContact O-CB 3.33Å; F418-Q422 PolarHBondContact O-N 2.96Å; F418-W457 HydrophobicContact CE1-CH2 4.1Å; F418-W457 HydrophobicContact CE2-CZ3 4.3Å; F418-W457 AromaticContact CZ-CH2 3.5Å; F418-W457 HydrophobicContact CZ-CH2 3.5Å; F418-W457 HydrophobicContact CZ-CZ2 4.31Å; F418-W457 AromaticContact CZ-CZ3 3.65Å; F418-W457 HydrophobicContact CZ-CZ3 3.65Å; F418-W546 HydrophobicContact CB-CD2 4Å; F418-W546 HydrophobicContact CB-CE3 4.11Å; F418-W546 HydrophobicContact CB-CH2 3.68Å; F418-W546 HydrophobicContact CB-CZ2 3.56Å; F418-W546 HydrophobicContact CB-CZ3 3.98Å; F418-W546 AromaticContact CD1-CD1 3.64Å; F418-W546 AromaticContact CD1-CD2 3.88Å; F418-W546 HydrophobicContact CD1-CD2 3.88Å; F418-W546 AromaticContact CD1-CE2 3.71Å; F418-W546 AromaticContact CD1-CG 3.83Å; F418-W546 HydrophobicContact CD1-CG 3.83Å; F418-W546 HydrophobicContact CD1-CZ2 4.36Å; F418-W546 AromaticContact CD1-NE1 3.57Å; F418-W546 HydrophobicContact CD2-CB 4.05Å; F418-W546 AromaticContact CD2-CD2 3.45Å; F418-W546 HydrophobicContact CD2-CD2 3.45Å; F418-W546 VanDerWaalsContact CD2-CD2 3.45Å; F418-W546 AromaticContact CD2-CE3 3.56Å; F418-W546 HydrophobicContact CD2-CE3 3.56Å; F418-W546 AromaticContact CD2-CG 3.7Å; F418-W546 HydrophobicContact CD2-CG 3.7Å; F418-W546 HydrophobicContact CD2-CZ3 4.19Å; F418-W546 HydrophobicContact CE1-CB 4.2Å; F418-W546 AromaticContact CE1-CD1 3.6Å; F418-W546 HydrophobicContact CE1-CD2 4.31Å; F418-W546 AromaticContact CE1-CG 3.77Å; F418-W546 HydrophobicContact CE1-CG 3.77Å; F418-W546 HydrophobicContact CE2-CB 3.56Å; F418-W546 AromaticContact CE2-CD2 3.94Å; F418-W546 HydrophobicContact CE2-CD2 3.94Å; F418-W546 HydrophobicContact CE2-CE3 4.25Å; F418-W546 AromaticContact CE2-CG 3.67Å; F418-W546 HydrophobicContact CE2-CG 3.67Å; F418-W546 AromaticContact CG-CD2 3.43Å; F418-W546 HydrophobicContact CG-CD2 3.43Å; F418-W546 VanDerWaalsContact CG-CD2 3.43Å; F418-W546 AromaticContact CG-CE2 3.48Å; F418-W546 VanDerWaalsContact CG-CE2 3.48Å; F418-W546 AromaticContact CG-CE3 3.83Å; F418-W546 HydrophobicContact CG-CE3 3.83Å; F418-W546 AromaticContact CG-CG 3.8Å; F418-W546 HydrophobicContact CG-CG 3.8Å; F418-W546 HydrophobicContact CG-CH2 4.23Å; F418-W546 AromaticContact CG-CZ2 3.9Å; F418-W546 HydrophobicContact CG-CZ2 3.9Å; F418-W546 HydrophobicContact CG-CZ3 4.22Å; F418-W546 AromaticContact CG-NE1 3.86Å; F418-W546 HydrophobicContact CZ-CB 3.65Å; F418-W546 AromaticContact CZ-CD1 3.99Å; F418-W546 HydrophobicContact CZ-CD2 4.35Å; F418-W546 AromaticContact CZ-CG 3.71Å; F418-W546 HydrophobicContact CZ-CG 3.71Å; F418-L559 HydrophobicContact CD2-CD1 4.03Å; F418-L559 HydrophobicContact CE2-CD1 4.08Å
419	N	86.3	Confident	81.4	Confident	43 Å²	43	49.4 Å²	49.4	23%	0.23	28%	0.277	C	S	.	.	H	α-helix	trans	-59.9	-42.9	175.3	-67.1	-19.9	0	0	0	111.3	Q415 E416 Q422 Q423	Q415-N419 PolarHBondContact NE2-OD1 2.69Å; Q415-N419 PolarHBondContact O-N 2.7Å; Q415-N419 PolarHBondContact O-ND2 2.81Å; Q415-N419 PolarHBondContact O-OD1 3.5Å; E416-N419 VanDerWaalsContact CD-ND2 3.27Å; E416-N419 WeakPolarHBondContact O-CB 3.49Å; E416-N419 PolarHBondContact O-N 2.83Å; E416-N419 PolarHBondContact OE1-ND2 3.24Å; E416-N419 PolarHBondContact OE2-ND2 2.93Å; N419-Q422 PolarHBondContact O-N 2.65Å; N419-Q423 PolarHBondContact O-N 2.82Å
420	A	87.4	Confident	79.4	Confident	20 Å²	20	59.1 Å²	59.1	17%	0.165	32%	0.319	C	S	.	.	H	α-helix	trans	-66.3	-41.2	175.1	0	0	0	0	0	112.4	F383 E416 F417 F418 Q423 R424	F383-A420 HydrophobicContact CD1-CB 3.85Å; F383-A420 HydrophobicContact CD2-CB 3.81Å; F383-A420 HydrophobicContact CE1-CB 3.73Å; F383-A420 HydrophobicContact CE2-CB 3.68Å; F383-A420 HydrophobicContact CG-CB 3.9Å; F383-A420 HydrophobicContact CZ-CB 3.66Å; E416-A420 PolarHBondContact O-N 2.92Å; F417-A420 PolarHBondContact O-N 3.09Å; F418-A420 VanDerWaalsContact C-N 3.32Å; F418-A420 PolarHBondContact O-N 2.85Å; A420-Q423 WeakPolarHBondContact O-CB 3.49Å; A420-Q423 PolarHBondContact O-N 3.42Å; A420-R424 PolarHBondContact O-N 3.3Å
421	L	87.8	Confident	77.5	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-61.2	-45.2	172.6	-172.9	64.9	0	0	0	111.3	F383 L387 F417 F418 Q423 R424 L425 I468 L559	F383-L421 HydrophobicContact CE2-CB 4.3Å; F383-L421 HydrophobicContact CZ-CB 4.31Å; L387-L421 HydrophobicContact CD1-CD1 4.35Å; F417-L421 WeakPolarHBondContact O-CB 3.25Å; F417-L421 PolarHBondContact O-N 3.14Å; F418-L421 HydrophobicContact CD2-CD2 4.27Å; F418-L421 HydrophobicContact CE2-CD2 4.33Å; F418-L421 PolarHBondContact O-N 3.5Å; L421-Q423 PolarHBondContact O-N 3.12Å; L421-R424 CarbonylContact O-C 3.54Å; L421-R424 WeakPolarHBondContact O-CA 3.43Å; L421-R424 WeakPolarHBondContact O-CB 3.33Å; L421-R424 PolarHBondContact O-N 3.15Å; L421-L425 HydrophobicContact CD1-CD2 4.41Å; L421-L425 HydrophobicContact CG-CD2 4.24Å; L421-L425 HydrophobicContact CG-CG 4.49Å; L421-L425 WeakPolarHBondContact O-CG 3.18Å; L421-L425 PolarHBondContact O-N 3.47Å; L421-I468 HydrophobicContact CD1-CG2 3.8Å; L421-L559 HydrophobicContact CD2-CD1 3.96Å; L421-L559 HydrophobicContact CD2-CD2 3.86Å
422	Q	84.3	Confident	76	Confident	32 Å²	32	72.2 Å²	72.2	15%	0.15	37%	0.366	C	S	.	.	H	α-helix	trans	-60.3	-31	178.9	-174	177	77.5	0	0	112.7	F418 N419 L425 S426	F418-Q422 HydrophobicContact CE1-CB 4.05Å; F418-Q422 HydrophobicContact CZ-CB 4.36Å; F418-Q422 WeakPolarHBondContact O-CB 3.33Å; F418-Q422 PolarHBondContact O-N 2.96Å; N419-Q422 PolarHBondContact O-N 2.65Å; Q422-L425 PolarHBondContact O-N 3.33Å; Q422-S426 WeakPolarHBondContact O-CB 3.36Å; Q422-S426 PolarHBondContact O-N 2.97Å; Q422-S426 PolarHBondContact O-OG 3.06Å
423	Q	81.5	Confident	74.8	Confident	143 Å²	143	70 Å²	70	67%	0.668	35%	0.353	S	S	*	.	H	α-helix	trans	-62.8	-46.9	170.6	-67.7	-178	26.3	0	0	111	N419 A420 L421 L425 S426 L427	N419-Q423 PolarHBondContact O-N 2.82Å; A420-Q423 WeakPolarHBondContact O-CB 3.49Å; A420-Q423 PolarHBondContact O-N 3.42Å; L421-Q423 PolarHBondContact O-N 3.12Å; Q423-L425 PolarHBondContact O-N 3.2Å; Q423-S426 PolarHBondContact O-N 2.78Å; Q423-S426 VanDerWaalsContact O-N 3.08Å; Q423-L427 PolarHBondContact O-N 3.22Å
424	R	82.2	Confident	73.5	Confident	46 Å²	46	76.4 Å²	76.4	17%	0.174	39%	0.387	C	S	.	.	H	α-helix	trans	-60.5	-40.6	173.9	-69.1	177.4	160.9	-127.5	0	112.1	A420 L421 S426 L427 H467 I468 D470	A420-R424 PolarHBondContact O-N 3.3Å; L421-R424 CarbonylContact O-C 3.54Å; L421-R424 WeakPolarHBondContact O-CA 3.43Å; L421-R424 WeakPolarHBondContact O-CB 3.33Å; L421-R424 PolarHBondContact O-N 3.15Å; R424-S426 PolarHBondContact O-N 2.92Å; R424-S426 VanDerWaalsContact O-N 3.12Å; R424-L427 PolarHBondContact O-N 3.21Å; R424-H467 PolarHBondContact NH1-O 2.8Å; R424-I468 WeakPolarHBondContact CD-O 3.27Å; R424-I468 PolarHBondContact NH1-O 3.47Å; R424-D470 PolarHBondContact NH1-O 2.73Å; R424-D470 PolarHBondContact NH2-O 3.48Å
425	L	81.1	Confident	72.5	Confident	8 Å²	8	75.7 Å²	75.7	4%	0.042	38%	0.382	C	S	.	.	H	α-helix	trans	-62.9	-17.1	175.2	-50.5	-167.5	0	0	0	113.9	L421 Q422 Q423 R433 W457 F459 I468 I544	L421-L425 HydrophobicContact CD1-CD2 4.41Å; L421-L425 HydrophobicContact CG-CD2 4.24Å; L421-L425 HydrophobicContact CG-CG 4.49Å; L421-L425 WeakPolarHBondContact O-CG 3.18Å; L421-L425 PolarHBondContact O-N 3.47Å; Q422-L425 PolarHBondContact O-N 3.33Å; Q423-L425 PolarHBondContact O-N 3.2Å; L425-R433 WeakPolarHBondContact O-CB 3.4Å; L425-R433 WeakPolarHBondContact O-CD 3.47Å; L425-W457 HydrophobicContact CD1-CD2 3.93Å; L425-W457 HydrophobicContact CD1-CE3 4.26Å; L425-W457 HydrophobicContact CD1-CG 4.14Å; L425-F459 HydrophobicContact CB-CZ 4.38Å; L425-F459 HydrophobicContact CD1-CZ 4.35Å; L425-F459 HydrophobicContact CD2-CZ 3.85Å; L425-F459 HydrophobicContact CG-CZ 4.39Å; L425-I468 HydrophobicContact CD2-CB 4.45Å; L425-I468 HydrophobicContact CD2-CD1 3.65Å; L425-I468 HydrophobicContact CD2-CG1 3.86Å; L425-I468 HydrophobicContact CD2-CG2 3.7Å; L425-I544 HydrophobicContact CD2-CD1 3.8Å
426	S	71.9	Confident	71.4	Confident	13 Å²	13	77.4 Å²	77.4	9%	0.091	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-2.2	-173.2	-56.5	0	0	0	0	114.4	Q422 Q423 R424 S429 R433	Q422-S426 WeakPolarHBondContact O-CB 3.36Å; Q422-S426 PolarHBondContact O-N 2.97Å; Q422-S426 PolarHBondContact O-OG 3.06Å; Q423-S426 PolarHBondContact O-N 2.78Å; Q423-S426 VanDerWaalsContact O-N 3.08Å; R424-S426 PolarHBondContact O-N 2.92Å; R424-S426 VanDerWaalsContact O-N 3.12Å; S426-S429 PolarHBondContact O-N 2.8Å; S426-R433 PolarHBondContact OG-N 3.15Å
427	L	59.9	Low	70.5	Confident	106 Å²	106	76.1 Å²	76.1	56%	0.555	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	137.8	-175.7	-67.5	173.4	0	0	0	111.7	Q423 R424 H467	Q423-L427 PolarHBondContact O-N 3.22Å; R424-L427 PolarHBondContact O-N 3.21Å; L427-H467 WeakPolarHBondContact CD1-CE1 3.47Å
428	G	50.5	Low	69.7	Low	90 Å²	90	77.8 Å²	77.8	93%	0.928	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.9	-12.3	-170.5	0	0	0	0	0	114.9
429	S	46.9	Very low	68.8	Low	75 Å²	75	79.9 Å²	79.9	52%	0.524	42%	0.416	S	S	.	.	S	Bend	trans	-140	153.5	176.3	88.6	0	0	0	0	114.3	S426 K431	S426-S429 PolarHBondContact O-N 2.8Å; S429-K431 PolarHBondContact O-N 3.23Å; S429-K431 PolarHBondContact OG-O 3.04Å
430	K	48.1	Very low	67.8	Low	221 Å²	221	81.5 Å²	81.5	96%	0.961	44%	0.436	S	S	*	.	S	Bend	trans	-83	10	179.8	-63.5	-173.6	179.3	-177.6	0	114.2
431	K	49.6	Very low	66.8	Low	174 Å²	174	83.9 Å²	83.9	76%	0.757	44%	0.442	S	S	*	.	S	Bend	trans	-124	147.1	176.5	-65.5	-175.1	176.9	-174.9	0	107	S429 R433	S429-K431 PolarHBondContact O-N 3.23Å; S429-K431 PolarHBondContact OG-O 3.04Å; K431-R433 PolarHBondContact O-N 3.5Å
432	R	58.6	Low	65.6	Low	179 Å²	179	88 Å²	88	68%	0.675	47%	0.467	S	S	*	.			trans	-57.3	132.7	172	-62.8	-176.8	-176.8	-164.4	7.2	108.2	L434	R432-L434 PolarHBondContact O-N 2.97Å
433	R	63.4	Low	64.8	Low	65 Å²	65	88.7 Å²	88.7	25%	0.245	47%	0.47	C	S	.	.			trans	-67	107.8	173.3	178.2	175.7	170.9	-160.5	-8	107.7	L425 S426 K431 N436 W457 H458 F459	L425-R433 WeakPolarHBondContact O-CB 3.4Å; L425-R433 WeakPolarHBondContact O-CD 3.47Å; S426-R433 PolarHBondContact OG-N 3.15Å; K431-R433 PolarHBondContact O-N 3.5Å; R433-N436 PolarHBondContact NH2-ND2 2.83Å; R433-N436 PolarHBondContact NH2-OD1 3.19Å; R433-W457 PolarHBondContact O-NE1 3.35Å; R433-H458 PolarHBondContact NH2-O 3.33Å; R433-F459 VanDerWaalsContact NH1-CD1 3.26Å
434	L	63	Low	63.4	Low	139 Å²	139	87.6 Å²	87.6	73%	0.728	47%	0.469	S	S	*	.			trans	-55.7	148.2	174.1	-66.5	177.1	0	0	0	110	R432 W457	R432-L434 PolarHBondContact O-N 2.97Å; L434-W457 PolarHBondContact O-NE1 3.24Å
435	P	68.5	Low	61.8	Low	29 Å²	29	93.6 Å²	93.6	19%	0.188	50%	0.504	C	S	.	.			trans	-54.6	145.6	170.5	27	-36.5	0	0	0	110.1	T438 Y455 W457	P435-T438 VanDerWaalsContact CG-OG1 3.27Å; P435-T438 WeakPolarHBondContact CG-OG1 3.45Å; P435-Y455 HydrophobicContact CB-CD1 4.38Å; P435-Y455 HydrophobicContact CG-CD1 3.91Å; P435-W457 HydrophobicContact CB-CD2 4.37Å; P435-W457 HydrophobicContact CB-CH2 4.42Å; P435-W457 HydrophobicContact CB-CZ2 3.98Å
436	N	63.4	Low	60.7	Low	83 Å²	83	94.5 Å²	94.5	44%	0.444	52%	0.516	S	S	.	.	S	Bend	trans	-68.9	-30.5	173.4	-68.7	13.3	0	0	0	110.4	R433 T456 H458	R433-N436 PolarHBondContact NH2-ND2 2.83Å; R433-N436 PolarHBondContact NH2-OD1 3.19Å; N436-T456 PolarHBondContact N-O 2.68Å; N436-H458 WeakPolarHBondContact ND2-CB 3.46Å; N436-H458 PolarHBondContact ND2-N 3.02Å; N436-H458 PolarHBondContact ND2-O 2.87Å; N436-H458 VanDerWaalsContact ND2-O 3.14Å
437	L	67.4	Low	59.8	Low	88 Å²	88	100.9 Å²	100.9	46%	0.461	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	131.1	176.5	-179.8	64.3	0	0	0	109.7	T439 T456	L437-T439 HydrophobicContact CD1-CG2 4.08Å; L437-T439 HydrophobicContact CD2-CG2 3.91Å; L437-T439 HydrophobicContact CG-CG2 3.9Å; L437-T456 PolarHBondContact N-O 2.87Å; L437-T456 VanDerWaalsContact N-O 3.15Å; L437-T456 PolarHBondContact O-N 2.79Å
438	T	73.9	Confident	59.6	Low	76 Å²	76	97.6 Å²	97.6	47%	0.466	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	124	164.4	-57.9	0	0	0	0	107.5	P435 K454 Y455	P435-T438 VanDerWaalsContact CG-OG1 3.27Å; P435-T438 WeakPolarHBondContact CG-OG1 3.45Å; T438-K454 WeakPolarHBondContact CA-O 3.35Å; T438-Y455 HydrophobicContact CG2-CD1 3.74Å; T438-Y455 HydrophobicContact CG2-CE1 3.59Å
439	T	69.6	Low	59.9	Low	47 Å²	47	98.4 Å²	98.4	29%	0.288	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	120.7	178.6	32.8	0	0	0	0	109.9	L437 K454	L437-T439 HydrophobicContact CD1-CG2 4.08Å; L437-T439 HydrophobicContact CD2-CG2 3.91Å; L437-T439 HydrophobicContact CG-CG2 3.9Å; T439-K454 PolarHBondContact N-O 2.88Å; T439-K454 PolarHBondContact O-N 3.19Å
440	A	64.8	Low	60.8	Low	78 Å²	78	96.1 Å²	96.1	65%	0.645	50%	0.504	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	128.8	163.5	0	0	0	0	0	108.1	F452	A440-F452 WeakPolarHBondContact CA-O 3.45Å
441	F	67.2	Low	61.7	Low	69 Å²	69	90 Å²	90	30%	0.303	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	148.3	178.7	79.3	-73	0	0	0	110.6	K443 F452 K454 I547	F441-K443 HydrophobicContact CE2-CB 4.08Å; F441-K443 HydrophobicContact CE2-CG 4.48Å; F441-F452 HydrophobicContact CD1-CB 4.2Å; F441-F452 WeakPolarHBondContact CD1-O 3.47Å; F441-F452 HydrophobicContact CE1-CB 3.65Å; F441-F452 HydrophobicContact CZ-CB 4.11Å; F441-F452 PolarHBondContact N-O 2.91Å; F441-F452 PolarHBondContact O-N 3.29Å; F441-K454 HydrophobicContact CD1-CB 3.84Å; F441-K454 HydrophobicContact CE1-CB 3.7Å; F441-K454 HydrophobicContact CE1-CD 4.47Å; F441-I547 HydrophobicContact CE1-CD1 4.02Å; F441-I547 HydrophobicContact CE1-CG1 4.41Å; F441-I547 HydrophobicContact CZ-CD1 3.85Å
442	V	61.8	Low	63	Low	86 Å²	86	83 Å²	83	52%	0.521	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	121.5	177.5	-169	0	0	0	0	109	N444 G450	V442-N444 WeakPolarHBondContact CG1-OD1 3.37Å; V442-G450 CarbonylContact C-O 3.57Å; V442-G450 WeakPolarHBondContact CA-O 3.45Å
443	K	67.6	Low	64	Low	48 Å²	48	77 Å²	77	21%	0.209	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	105.4	177.7	-165.4	-176.6	-179.2	-171.8	0	108.6	F441 G446 L447 L449 G450 F452	F441-K443 HydrophobicContact CE2-CB 4.08Å; F441-K443 HydrophobicContact CE2-CG 4.48Å; K443-G446 VanDerWaalsContact CD-O 3.3Å; K443-G446 WeakPolarHBondContact CD-O 3.35Å; K443-G446 VanDerWaalsContact CE-O 3.22Å; K443-G446 WeakPolarHBondContact CE-O 3.41Å; K443-G446 WeakPolarHBondContact CG-O 3.27Å; K443-L447 PolarHBondContact NZ-O 3.23Å; K443-L449 WeakPolarHBondContact O-CA 3.44Å; K443-L449 WeakPolarHBondContact O-CD2 3.49Å; K443-G450 PolarHBondContact N-O 2.97Å; K443-G450 PolarHBondContact O-N 3.37Å; K443-F452 HydrophobicContact CB-CD2 3.98Å; K443-F452 HydrophobicContact CB-CE2 4.01Å
444	N	52.2	Low	65	Low	119 Å²	119	76.2 Å²	76.2	64%	0.636	44%	0.442	S	S	*	.			trans	-102.7	-36	-178.4	-69	-26.8	0	0	0	113.2	V442 G446 L449	V442-N444 WeakPolarHBondContact CG1-OD1 3.37Å; N444-G446 VanDerWaalsContact C-N 3.33Å; N444-G446 PolarHBondContact O-N 3.01Å; N444-L449 WeakPolarHBondContact O-CD2 3.49Å
445	D	48.7	Very low	65.9	Low	173 Å²	173	73.1 Å²	73.1	93%	0.925	42%	0.421	S	S	*	.	S	Bend	trans	-92	27.8	-174.6	-62	-58.8	0	0	0	114.3
446	G	57.2	Low	66.7	Low	27 Å²	27	71.9 Å²	71.9	28%	0.278	41%	0.413	S	S	.	.	S	Bend	trans	169.4	144.6	173.8	0	0	0	0	0	114.8	K443 N444	K443-G446 VanDerWaalsContact CD-O 3.3Å; K443-G446 WeakPolarHBondContact CD-O 3.35Å; K443-G446 VanDerWaalsContact CE-O 3.22Å; K443-G446 WeakPolarHBondContact CE-O 3.41Å; K443-G446 WeakPolarHBondContact CG-O 3.27Å; N444-G446 VanDerWaalsContact C-N 3.33Å; N444-G446 PolarHBondContact O-N 3.01Å
447	L	54.4	Low	67.7	Low	146 Å²	146	68 Å²	68	76%	0.764	39%	0.392	S	S	*	.	S	Bend	trans	-63.2	153.5	-178.8	-73.6	166.1	0	0	0	113	K443 L449	K443-L447 PolarHBondContact NZ-O 3.23Å; L447-L449 HydrophobicContact CD2-CG 4.16Å
448	P	54.8	Low	68.4	Low	37 Å²	37	66.9 Å²	66.9	24%	0.24	38%	0.384	C	S	.	.	S	Bend	cis	-66.1	140.3	-16.6	31.2	-37.2	0	0	0	110.9	F452 V550	P448-F452 HydrophobicContact CB-CZ 4.02Å; P448-F452 HydrophobicContact CG-CE1 4.2Å; P448-F452 HydrophobicContact CG-CE2 4.38Å; P448-F452 HydrophobicContact CG-CZ 3.63Å; P448-F452 VanDerWaalsContact O-CE2 3.29Å; P448-F452 WeakPolarHBondContact O-CE2 3.49Å; P448-V550 HydrophobicContact CG-CB 4.49Å; P448-V550 HydrophobicContact CG-CG1 3.68Å; P448-V550 WeakPolarHBondContact CG-O 3.44Å
449	L	56.7	Low	68.9	Low	108 Å²	108	63.5 Å²	63.5	57%	0.565	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-81.1	138.2	175.7	-60.9	175.1	0	0	0	109.7	K443 N444 L447	K443-L449 WeakPolarHBondContact O-CA 3.44Å; K443-L449 WeakPolarHBondContact O-CD2 3.49Å; N444-L449 WeakPolarHBondContact O-CD2 3.49Å; L447-L449 HydrophobicContact CD2-CG 4.16Å
450	G	65.5	Low	69.4	Low	27 Å²	27	64.9 Å²	64.9	28%	0.278	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	156.5	179.4	180	0	0	0	0	0	115.1	V442 K443 F452	V442-G450 CarbonylContact C-O 3.57Å; V442-G450 WeakPolarHBondContact CA-O 3.45Å; K443-G450 PolarHBondContact N-O 2.97Å; K443-G450 PolarHBondContact O-N 3.37Å; G450-F452 VanDerWaalsContact O-CD2 3.27Å; G450-F452 WeakPolarHBondContact O-CD2 3.13Å; G450-F452 WeakPolarHBondContact O-CE2 3.46Å
451	S	67.1	Low	70.2	Confident	92 Å²	92	64 Å²	64	64%	0.643	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	115	173.5	-177.8	0	0	0	0	109.9
452	F	78.3	Confident	70.9	Confident	26 Å²	26	63.3 Å²	63.3	11%	0.114	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	143	-173.4	-65.6	-79.2	0	0	0	111.7	A440 F441 K443 P448 G450 I547	A440-F452 WeakPolarHBondContact CA-O 3.45Å; F441-F452 HydrophobicContact CD1-CB 4.2Å; F441-F452 WeakPolarHBondContact CD1-O 3.47Å; F441-F452 HydrophobicContact CE1-CB 3.65Å; F441-F452 HydrophobicContact CZ-CB 4.11Å; F441-F452 PolarHBondContact N-O 2.91Å; F441-F452 PolarHBondContact O-N 3.29Å; K443-F452 HydrophobicContact CB-CD2 3.98Å; K443-F452 HydrophobicContact CB-CE2 4.01Å; P448-F452 HydrophobicContact CB-CZ 4.02Å; P448-F452 HydrophobicContact CG-CE1 4.2Å; P448-F452 HydrophobicContact CG-CE2 4.38Å; P448-F452 HydrophobicContact CG-CZ 3.63Å; P448-F452 VanDerWaalsContact O-CE2 3.29Å; P448-F452 WeakPolarHBondContact O-CE2 3.49Å; G450-F452 VanDerWaalsContact O-CD2 3.27Å; G450-F452 WeakPolarHBondContact O-CD2 3.13Å; G450-F452 WeakPolarHBondContact O-CE2 3.46Å; F452-I547 HydrophobicContact CB-CG2 3.77Å; F452-I547 HydrophobicContact CD1-CG2 3.86Å; F452-I547 HydrophobicContact CG-CG2 4.05Å
453	S	79.1	Confident	71.8	Confident	53 Å²	53	65.3 Å²	65.3	37%	0.371	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	101.3	171.6	-68.5	0	0	0	0	110.1	P548	S453-P548 VanDerWaalsContact O-CD 3.29Å; S453-P548 WeakPolarHBondContact O-CD 3.39Å
454	K	84.6	Confident	72.5	Confident	49 Å²	49	67.9 Å²	67.9	21%	0.213	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	125.9	173.9	164.1	171.3	157.4	159.2	0	110.3	T438 T439 F441 T456 E545 I547	T438-K454 WeakPolarHBondContact CA-O 3.35Å; T439-K454 PolarHBondContact N-O 2.88Å; T439-K454 PolarHBondContact O-N 3.19Å; F441-K454 HydrophobicContact CD1-CB 3.84Å; F441-K454 HydrophobicContact CE1-CB 3.7Å; F441-K454 HydrophobicContact CE1-CD 4.47Å; K454-T456 WeakPolarHBondContact CE-OG1 3.34Å; K454-E545 WeakPolarHBondContact CE-OE1 3.22Å; K454-E545 WeakPolarHBondContact CE-OE2 3.32Å; K454-E545 IonicContact NZ-OE1 3.94Å; K454-E545 PolarHBondContact NZ-OE1 2.96Å; K454-E545 IonicContact NZ-OE2 2.71Å; K454-E545 PolarHBondContact NZ-OE2 3.1Å; K454-I547 HydrophobicContact CB-CG1 4.18Å
455	Y	82	Confident	74.1	Confident	75 Å²	75	62.2 Å²	62.2	29%	0.294	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	118.8	175.5	-56.8	-71.9	0	0	0	109.6	P435 T438 W457 E545 W546 P548	P435-Y455 HydrophobicContact CB-CD1 4.38Å; P435-Y455 HydrophobicContact CG-CD1 3.91Å; T438-Y455 HydrophobicContact CG2-CD1 3.74Å; T438-Y455 HydrophobicContact CG2-CE1 3.59Å; Y455-W457 VanDerWaalsContact CB-CH2 3.45Å; Y455-W457 HydrophobicContact CG-CH2 4.31Å; Y455-W457 VanDerWaalsContact O-CZ3 3.25Å; Y455-W457 WeakPolarHBondContact O-CZ3 3.34Å; Y455-E545 CarbonylContact O-C 3.6Å; Y455-E545 VanDerWaalsContact O-CA 3.32Å; Y455-E545 WeakPolarHBondContact O-CA 3.44Å; Y455-W546 PolarHBondContact N-O 3.09Å; Y455-W546 PolarHBondContact O-N 3.07Å; Y455-P548 HydrophobicContact CE2-CG 4.03Å
456	T	84.8	Confident	75.9	Confident	2 Å²	2	57.4 Å²	57.4	1%	0.012	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	129.8	-178.3	-62.2	0	0	0	0	111.1	N436 L437 K454 H458 V543 E545	N436-T456 PolarHBondContact N-O 2.68Å; L437-T456 PolarHBondContact N-O 2.87Å; L437-T456 VanDerWaalsContact N-O 3.15Å; L437-T456 PolarHBondContact O-N 2.79Å; K454-T456 WeakPolarHBondContact CE-OG1 3.34Å; T456-H458 WeakPolarHBondContact CG2-NE2 3.33Å; T456-V543 HydrophobicContact CG2-CG1 3.48Å; T456-V543 VanDerWaalsContact CG2-CG1 3.48Å; T456-E545 HydrophobicContact CG2-CG 4.19Å; T456-E545 PolarHBondContact OG1-OE1 3.11Å
457	W	84.6	Confident	77.2	Confident	2 Å²	2	61.4 Å²	61.4	1%	0.008	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	121.5	170	-64.5	-99.7	0	0	0	109.3	F418 L425 R433 L434 P435 Y455 F459 I544 W546	F418-W457 HydrophobicContact CE1-CH2 4.1Å; F418-W457 HydrophobicContact CE2-CZ3 4.3Å; F418-W457 AromaticContact CZ-CH2 3.5Å; F418-W457 HydrophobicContact CZ-CH2 3.5Å; F418-W457 HydrophobicContact CZ-CZ2 4.31Å; F418-W457 AromaticContact CZ-CZ3 3.65Å; F418-W457 HydrophobicContact CZ-CZ3 3.65Å; L425-W457 HydrophobicContact CD1-CD2 3.93Å; L425-W457 HydrophobicContact CD1-CE3 4.26Å; L425-W457 HydrophobicContact CD1-CG 4.14Å; R433-W457 PolarHBondContact O-NE1 3.35Å; L434-W457 PolarHBondContact O-NE1 3.24Å; P435-W457 HydrophobicContact CB-CD2 4.37Å; P435-W457 HydrophobicContact CB-CH2 4.42Å; P435-W457 HydrophobicContact CB-CZ2 3.98Å; Y455-W457 VanDerWaalsContact CB-CH2 3.45Å; Y455-W457 HydrophobicContact CG-CH2 4.31Å; Y455-W457 VanDerWaalsContact O-CZ3 3.25Å; Y455-W457 WeakPolarHBondContact O-CZ3 3.34Å; W457-F459 HydrophobicContact CB-CD2 4.35Å; W457-F459 HydrophobicContact CB-CE2 3.43Å; W457-F459 VanDerWaalsContact CB-CE2 3.43Å; W457-F459 HydrophobicContact CB-CZ 3.77Å; W457-F459 HydrophobicContact CG-CE2 4.47Å; W457-F459 HydrophobicContact CG-CZ 4.41Å; W457-I544 PolarHBondContact N-O 3.35Å; W457-I544 PolarHBondContact O-N 3.05Å; W457-W546 HydrophobicContact CH2-CB 4.38Å; W457-W546 HydrophobicContact CZ3-CB 3.84Å
458	H	82.6	Confident	78.8	Confident	64 Å²	64	54.7 Å²	54.7	30%	0.296	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	137.5	169.4	-53.3	-80.7	0	0	0	109.6	R433 N436 T456 P541	R433-H458 PolarHBondContact NH2-O 3.33Å; N436-H458 WeakPolarHBondContact ND2-CB 3.46Å; N436-H458 PolarHBondContact ND2-N 3.02Å; N436-H458 PolarHBondContact ND2-O 2.87Å; N436-H458 VanDerWaalsContact ND2-O 3.14Å; T456-H458 WeakPolarHBondContact CG2-NE2 3.33Å; H458-P541 HydrophobicContact CB-CB 3.82Å; H458-P541 HydrophobicContact CB-CG 4.07Å
459	F	82.6	Confident	80.4	Confident	5 Å²	5	52.9 Å²	52.9	2%	0.022	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	117	177.1	-60.2	-97.4	0	0	0	108.9	L425 R433 W457 H464 V465 I468 V527 P541 F542 I544	L425-F459 HydrophobicContact CB-CZ 4.38Å; L425-F459 HydrophobicContact CD1-CZ 4.35Å; L425-F459 HydrophobicContact CD2-CZ 3.85Å; L425-F459 HydrophobicContact CG-CZ 4.39Å; R433-F459 VanDerWaalsContact NH1-CD1 3.26Å; W457-F459 HydrophobicContact CB-CD2 4.35Å; W457-F459 HydrophobicContact CB-CE2 3.43Å; W457-F459 VanDerWaalsContact CB-CE2 3.43Å; W457-F459 HydrophobicContact CB-CZ 3.77Å; W457-F459 HydrophobicContact CG-CE2 4.47Å; W457-F459 HydrophobicContact CG-CZ 4.41Å; F459-H464 HydrophobicContact CD1-CB 4.28Å; F459-V465 HydrophobicContact CB-CG2 3.76Å; F459-V465 HydrophobicContact CG-CG2 4.44Å; F459-I468 HydrophobicContact CD1-CD1 3.74Å; F459-I468 HydrophobicContact CE1-CD1 3.29Å; F459-I468 HydrophobicContact CE2-CD1 4.43Å; F459-I468 HydrophobicContact CG-CD1 4.49Å; F459-I468 HydrophobicContact CZ-CD1 3.72Å; F459-V527 WeakPolarHBondContact O-CG1 3.18Å; F459-P541 WeakPolarHBondContact O-CA 3.41Å; F459-F542 HydrophobicContact CB-CB 4.3Å; F459-F542 PolarHBondContact N-O 2.87Å; F459-F542 PolarHBondContact O-N 3.48Å; F459-I544 HydrophobicContact CD2-CD1 4.4Å; F459-I544 HydrophobicContact CD2-CG1 4.4Å; F459-I544 HydrophobicContact CE2-CB 4.24Å; F459-I544 HydrophobicContact CE2-CD1 3.75Å; F459-I544 HydrophobicContact CE2-CG1 3.95Å; F459-I544 HydrophobicContact CZ-CD1 4.3Å
460	T	81.8	Confident	81.8	Confident	77 Å²	77	50.1 Å²	50.1	47%	0.472	27%	0.266	S	S	.	.			trans	-105.1	3.9	175.6	50.4	0	0	0	0	112.5	P541	T460-P541 HydrophobicContact CG2-CB 4.2Å
461	N	80.5	Confident	82.8	Confident	59 Å²	59	49.2 Å²	49.2	32%	0.316	26%	0.255	S	S	.	.			trans	-114.1	113.3	173.5	-176.9	-3.5	0	0	0	110	L463 H464 V465	N461-L463 VanDerWaalsContact C-N 3.26Å; N461-L463 PolarHBondContact O-N 3.41Å; N461-L463 WeakPolarHBondContact OD1-CB 3.23Å; N461-L463 PolarHBondContact OD1-N 3.31Å; N461-H464 HydrophobicContact CB-CB 4.38Å; N461-H464 PolarHBondContact ND2-CD2 3.39Å; N461-H464 PolarHBondContact ND2-NE2 2.93Å; N461-H464 VanDerWaalsContact ND2-NE2 3.13Å; N461-H464 WeakPolarHBondContact O-CB 3.41Å; N461-H464 PolarHBondContact O-N 3.33Å; N461-V465 PolarHBondContact O-N 2.71Å
462	L	81.4	Confident	83.4	Confident	55 Å²	55	50.2 Å²	50.2	29%	0.288	26%	0.259	S	S	.	.	H	α-helix	trans	-56.7	-35.9	178.8	-172.7	56.3	0	0	0	113.3	H464 V465 K466 V478 L525 V527	L462-H464 VanDerWaalsContact C-N 3.3Å; L462-H464 PolarHBondContact O-N 2.92Å; L462-V465 PolarHBondContact O-N 2.77Å; L462-K466 PolarHBondContact O-N 2.89Å; L462-V478 HydrophobicContact CD1-CG1 3.95Å; L462-V478 HydrophobicContact CD1-CG2 4.02Å; L462-V478 HydrophobicContact CD2-CG1 3.66Å; L462-V478 HydrophobicContact CG-CG1 4.05Å; L462-V478 HydrophobicContact CG-CG2 4.23Å; L462-L525 HydrophobicContact CD1-CB 4.24Å; L462-L525 HydrophobicContact CD1-CD2 3.95Å; L462-L525 HydrophobicContact CD1-CG 4.42Å; L462-V527 HydrophobicContact CB-CB 4.13Å; L462-V527 HydrophobicContact CB-CG1 4.45Å; L462-V527 HydrophobicContact CD1-CB 4Å; L462-V527 HydrophobicContact CD1-CG2 3.62Å
463	L	81.9	Confident	83.5	Confident	128 Å²	128	54.5 Å²	54.5	67%	0.67	28%	0.279	S	S	*	.	H	α-helix	trans	-67	-31.3	177.8	-61.4	176.5	0	0	0	112.3	N461 H467	N461-L463 VanDerWaalsContact C-N 3.26Å; N461-L463 PolarHBondContact O-N 3.41Å; N461-L463 WeakPolarHBondContact OD1-CB 3.23Å; N461-L463 PolarHBondContact OD1-N 3.31Å; L463-H467 WeakPolarHBondContact O-CB 3.48Å; L463-H467 PolarHBondContact O-N 3.34Å
464	H	82.3	Confident	83.9	Confident	101 Å²	101	54.1 Å²	54.1	47%	0.468	27%	0.273	S	S	.	.	H	α-helix	trans	-71	-41.3	174	-64.9	-174.4	0	0	0	110.4	F459 N461 L462 H467 I468	F459-H464 HydrophobicContact CD1-CB 4.28Å; N461-H464 HydrophobicContact CB-CB 4.38Å; N461-H464 PolarHBondContact ND2-CD2 3.39Å; N461-H464 PolarHBondContact ND2-NE2 2.93Å; N461-H464 VanDerWaalsContact ND2-NE2 3.13Å; N461-H464 WeakPolarHBondContact O-CB 3.41Å; N461-H464 PolarHBondContact O-N 3.33Å; L462-H464 VanDerWaalsContact C-N 3.3Å; L462-H464 PolarHBondContact O-N 2.92Å; H464-H467 PolarHBondContact O-N 2.84Å; H464-I468 VanDerWaalsContact O-CD1 3.27Å; H464-I468 WeakPolarHBondContact O-CD1 3.43Å; H464-I468 WeakPolarHBondContact O-CG1 3.39Å; H464-I468 PolarHBondContact O-N 3.24Å
465	V	84.8	Confident	84	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60.6	-48.3	175.7	-177	0	0	0	0	110.3	F459 N461 L462 H467 I468 F469 L476 L525 V527 F542	F459-V465 HydrophobicContact CB-CG2 3.76Å; F459-V465 HydrophobicContact CG-CG2 4.44Å; N461-V465 PolarHBondContact O-N 2.71Å; L462-V465 PolarHBondContact O-N 2.77Å; V465-H467 PolarHBondContact O-N 3.03Å; V465-I468 PolarHBondContact O-N 3.29Å; V465-I468 VanDerWaalsContact O-N 3.12Å; V465-F469 HydrophobicContact CG1-CD2 4.05Å; V465-F469 HydrophobicContact CG1-CE2 4.34Å; V465-F469 WeakPolarHBondContact O-CD2 3.45Å; V465-F469 PolarHBondContact O-N 2.78Å; V465-L476 HydrophobicContact CG1-CD2 4.06Å; V465-L525 HydrophobicContact CG1-CD2 3.95Å; V465-V527 HydrophobicContact CG2-CG1 4.32Å; V465-V527 HydrophobicContact CG2-CG2 4.27Å; V465-F542 HydrophobicContact CG1-CB 4.38Å; V465-F542 HydrophobicContact CG1-CD1 4.07Å; V465-F542 HydrophobicContact CG1-CD2 3.59Å; V465-F542 HydrophobicContact CG1-CE1 4.2Å; V465-F542 HydrophobicContact CG1-CE2 3.72Å; V465-F542 HydrophobicContact CG1-CG 3.76Å; V465-F542 HydrophobicContact CG1-CZ 4.01Å; V465-F542 HydrophobicContact CG2-CB 3.63Å; V465-F542 HydrophobicContact CG2-CD1 4.27Å; V465-F542 HydrophobicContact CG2-CD2 4.38Å; V465-F542 HydrophobicContact CG2-CG 3.86Å
466	K	86.9	Confident	84.3	Confident	73 Å²	73	51.3 Å²	51.3	32%	0.317	27%	0.269	S	S	.	.	H	α-helix	trans	-55.1	-50.7	174.4	176.2	154.7	-174	150	0	112.2	L462 I468 F469 D470 L476 V478	L462-K466 PolarHBondContact O-N 2.89Å; K466-I468 VanDerWaalsContact C-N 3.25Å; K466-I468 PolarHBondContact O-N 3.15Å; K466-F469 PolarHBondContact O-N 3.23Å; K466-D470 WeakPolarHBondContact CE-OD1 3.43Å; K466-D470 WeakPolarHBondContact CE-OD2 3.45Å; K466-D470 VanDerWaalsContact CG-OD2 3.27Å; K466-D470 WeakPolarHBondContact CG-OD2 3.34Å; K466-D470 IonicContact NZ-OD1 2.89Å; K466-D470 WeakPolarHBondContact O-CB 3.49Å; K466-D470 PolarHBondContact O-N 3.48Å; K466-L476 HydrophobicContact CB-CD2 4.3Å; K466-L476 WeakPolarHBondContact CD-O 3.49Å; K466-L476 WeakPolarHBondContact CE-O 3.14Å; K466-L476 HydrophobicContact CG-CB 4.31Å; K466-L476 PolarHBondContact NZ-O 2.98Å; K466-V478 HydrophobicContact CB-CG2 4.4Å; K466-V478 HydrophobicContact CD-CG2 4.35Å
467	H	85.2	Confident	84.3	Confident	110 Å²	110	54.5 Å²	54.5	51%	0.509	28%	0.284	S	S	.	.	H	α-helix	trans	-61.2	-32	178.8	-166.2	-32.8	0	0	0	113.1	R424 L427 L463 H464 V465	R424-H467 PolarHBondContact NH1-O 2.8Å; L427-H467 WeakPolarHBondContact CD1-CE1 3.47Å; L463-H467 WeakPolarHBondContact O-CB 3.48Å; L463-H467 PolarHBondContact O-N 3.34Å; H464-H467 PolarHBondContact O-N 2.84Å; V465-H467 PolarHBondContact O-N 3.03Å
468	I	86.9	Confident	84.3	Confident	5 Å²	5	56 Å²	56	3%	0.026	29%	0.293	C	S	.	.	H	α-helix	trans	-67.7	-41.9	178.8	-69.7	157.8	0	0	0	111.2	L421 R424 L425 F459 H464 V465 K466 I544	L421-I468 HydrophobicContact CD1-CG2 3.8Å; R424-I468 WeakPolarHBondContact CD-O 3.27Å; R424-I468 PolarHBondContact NH1-O 3.47Å; L425-I468 HydrophobicContact CD2-CB 4.45Å; L425-I468 HydrophobicContact CD2-CD1 3.65Å; L425-I468 HydrophobicContact CD2-CG1 3.86Å; L425-I468 HydrophobicContact CD2-CG2 3.7Å; F459-I468 HydrophobicContact CD1-CD1 3.74Å; F459-I468 HydrophobicContact CE1-CD1 3.29Å; F459-I468 HydrophobicContact CE2-CD1 4.43Å; F459-I468 HydrophobicContact CG-CD1 4.49Å; F459-I468 HydrophobicContact CZ-CD1 3.72Å; H464-I468 VanDerWaalsContact O-CD1 3.27Å; H464-I468 WeakPolarHBondContact O-CD1 3.43Å; H464-I468 WeakPolarHBondContact O-CG1 3.39Å; H464-I468 PolarHBondContact O-N 3.24Å; V465-I468 PolarHBondContact O-N 3.29Å; V465-I468 VanDerWaalsContact O-N 3.12Å; K466-I468 VanDerWaalsContact C-N 3.25Å; K466-I468 PolarHBondContact O-N 3.15Å; I468-I544 HydrophobicContact CG2-CD1 4.29Å
469	F	88.5	Confident	84.4	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-101.2	-8.5	-173.2	-67.5	-77.4	0	0	0	114.9	L387 V390 T391 I394 V465 K466 T471 L476 F542 I544 I561	L387-F469 HydrophobicContact CD1-CD1 3.7Å; L387-F469 HydrophobicContact CD1-CE1 4.03Å; V390-F469 HydrophobicContact CG1-CD1 4.16Å; V390-F469 HydrophobicContact CG1-CE1 3.83Å; T391-F469 PolarHBondContact OG1-O 3.38Å; I394-F469 HydrophobicContact CD1-CD1 3.97Å; I394-F469 HydrophobicContact CD1-CE1 4.06Å; I394-F469 HydrophobicContact CD1-CG 4.26Å; I394-F469 HydrophobicContact CD1-CZ 4.43Å; V465-F469 HydrophobicContact CG1-CD2 4.05Å; V465-F469 HydrophobicContact CG1-CE2 4.34Å; V465-F469 WeakPolarHBondContact O-CD2 3.45Å; V465-F469 PolarHBondContact O-N 2.78Å; K466-F469 PolarHBondContact O-N 3.23Å; F469-T471 PolarHBondContact O-N 2.83Å; F469-L476 HydrophobicContact CB-CB 4.27Å; F469-L476 HydrophobicContact CB-CD1 4.21Å; F469-L476 HydrophobicContact CB-CD2 4.3Å; F469-L476 HydrophobicContact CB-CG 4.48Å; F469-F542 HydrophobicContact CD2-CE1 4.37Å; F469-F542 HydrophobicContact CD2-CZ 4.12Å; F469-F542 HydrophobicContact CE2-CD1 4.41Å; F469-F542 AromaticContact CE2-CE1 3.37Å; F469-F542 HydrophobicContact CE2-CE1 3.37Å; F469-F542 AromaticContact CE2-CZ 3.43Å; F469-F542 HydrophobicContact CE2-CZ 3.43Å; F469-F542 VanDerWaalsContact CE2-CZ 3.43Å; F469-F542 AromaticContact CZ-CE1 3.81Å; F469-F542 HydrophobicContact CZ-CE1 3.81Å; F469-F542 AromaticContact CZ-CZ 3.87Å; F469-F542 HydrophobicContact CZ-CZ 3.87Å; F469-I544 HydrophobicContact CE2-CD1 4.01Å; F469-I544 HydrophobicContact CZ-CD1 3.89Å; F469-I561 HydrophobicContact CE1-CD1 3.75Å; F469-I561 HydrophobicContact CZ-CD1 3.8Å; F469-I561 HydrophobicContact CZ-CG1 4.48Å
470	D	87	Confident	84.4	Confident	50 Å²	50	56.1 Å²	56.1	27%	0.267	30%	0.299	S	S	.	.			trans	-59.7	121.2	172.3	-95.4	-15.3	0	0	0	111	R424 K466 P475 L476	R424-D470 PolarHBondContact NH1-O 2.73Å; R424-D470 PolarHBondContact NH2-O 3.48Å; K466-D470 WeakPolarHBondContact CE-OD1 3.43Å; K466-D470 WeakPolarHBondContact CE-OD2 3.45Å; K466-D470 VanDerWaalsContact CG-OD2 3.27Å; K466-D470 WeakPolarHBondContact CG-OD2 3.34Å; K466-D470 IonicContact NZ-OD1 2.89Å; K466-D470 WeakPolarHBondContact O-CB 3.49Å; K466-D470 PolarHBondContact O-N 3.48Å; D470-P475 WeakPolarHBondContact OD1-CA 3.43Å; D470-P475 WeakPolarHBondContact OD1-CB 3.4Å; D470-L476 PolarHBondContact OD1-N 3.31Å
471	T	86.3	Confident	84.5	Confident	8 Å²	8	53.8 Å²	53.8	5%	0.049	29%	0.286	C	S	.	.			trans	-120.7	155.2	169.8	70.4	0	0	0	0	109.5	L387 A388 F469 E473 L474	L387-T471 HydrophobicContact CB-CG2 3.95Å; L387-T471 HydrophobicContact CD2-CG2 3.99Å; L387-T471 HydrophobicContact CG-CG2 3.81Å; A388-T471 HydrophobicContact CB-CG2 4.28Å; F469-T471 PolarHBondContact O-N 2.83Å; T471-E473 PolarHBondContact O-N 3.1Å; T471-L474 PolarHBondContact N-O 3.45Å; T471-L474 VanDerWaalsContact N-O 3.15Å; T471-L474 CarbonylContact O-C 3.55Å; T471-L474 VanDerWaalsContact O-C 3.27Å; T471-L474 PolarHBondContact O-N 2.99Å; T471-L474 PolarHBondContact OG1-N 2.8Å; T471-L474 PolarHBondContact OG1-O 3.28Å
472	P	79	Confident	84.7	Confident	113 Å²	113	51 Å²	51	73%	0.734	27%	0.271	S	S	*	.	S	Bend	trans	-68.7	-18.4	176.4	29.5	-36	0	0	0	113
473	E	81.9	Confident	84.9	Confident	115 Å²	115	49.7 Å²	49.7	54%	0.537	27%	0.265	S	S	.	.	S	Bend	trans	-84.2	-42.9	176.5	-66.9	155.9	-124.7	0	0	111.2	Q385 A388 T471	Q385-E473 WeakPolarHBondContact CA-OE2 3.39Å; A388-E473 HydrophobicContact CB-CB 4.24Å; T471-E473 PolarHBondContact O-N 3.1Å
474	L	85.5	Confident	85	Confident	45 Å²	45	48.9 Å²	48.9	24%	0.236	26%	0.256	C	S	.	.	S	Bend	trans	-143	109.5	177	-174.2	64.8	0	0	0	110.7	A388 T391 E392 T471	A388-L474 HydrophobicContact CB-CB 4.28Å; T391-L474 HydrophobicContact CG2-CD2 3.97Å; T391-L474 HydrophobicContact CG2-CG 4.02Å; E392-L474 HydrophobicContact CB-CD2 3.68Å; E392-L474 HydrophobicContact CG-CD2 4.21Å; T471-L474 PolarHBondContact N-O 3.45Å; T471-L474 VanDerWaalsContact N-O 3.15Å; T471-L474 CarbonylContact O-C 3.55Å; T471-L474 VanDerWaalsContact O-C 3.27Å; T471-L474 PolarHBondContact O-N 2.99Å; T471-L474 PolarHBondContact OG1-N 2.8Å; T471-L474 PolarHBondContact OG1-O 3.28Å
475	P	87.5	Confident	85	Confident	65 Å²	65	46.8 Å²	46.8	42%	0.422	25%	0.248	S	C	.	.			trans	-74.4	154.3	173.5	31.1	-34.7	0	0	0	111.1	H395 D470 E477	H395-P475 PolarHBondContact CE1-O 3.43Å; D470-P475 WeakPolarHBondContact OD1-CA 3.43Å; D470-P475 WeakPolarHBondContact OD1-CB 3.4Å; P475-E477 PolarHBondContact O-N 3.16Å
476	L	87.8	Confident	84.8	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.005	30%	0.296	C	S	.	.			trans	-74.7	100	174.2	-171.4	75.8	0	0	0	109.8	T391 I394 V465 K466 F469 D470 V478 L525	T391-L476 HydrophobicContact CG2-CB 4.41Å; T391-L476 HydrophobicContact CG2-CD1 3.92Å; I394-L476 HydrophobicContact CG2-CD1 4.2Å; V465-L476 HydrophobicContact CG1-CD2 4.06Å; K466-L476 HydrophobicContact CB-CD2 4.3Å; K466-L476 WeakPolarHBondContact CD-O 3.49Å; K466-L476 WeakPolarHBondContact CE-O 3.14Å; K466-L476 HydrophobicContact CG-CB 4.31Å; K466-L476 PolarHBondContact NZ-O 2.98Å; F469-L476 HydrophobicContact CB-CB 4.27Å; F469-L476 HydrophobicContact CB-CD1 4.21Å; F469-L476 HydrophobicContact CB-CD2 4.3Å; F469-L476 HydrophobicContact CB-CG 4.48Å; D470-L476 PolarHBondContact OD1-N 3.31Å; L476-V478 PolarHBondContact O-N 3.05Å; L476-L525 HydrophobicContact CD2-CD2 4.5Å
477	E	84.8	Confident	84.5	Confident	69 Å²	69	58.2 Å²	58.2	32%	0.322	31%	0.312	S	S	.	.			trans	-60.3	116.6	157.3	-57.3	-176.5	170.5	0	0	109.2	H395 P475 Q480	H395-E477 WeakPolarHBondContact NE2-CB 3.09Å; H395-E477 PolarHBondContact NE2-N 3.05Å; H395-E477 VanDerWaalsContact NE2-N 3.14Å; H395-E477 PolarHBondContact NE2-O 2.63Å; P475-E477 PolarHBondContact O-N 3.16Å; E477-Q480 HydrophobicContact CB-CG 4.26Å; E477-Q480 WeakPolarHBondContact OE2-CG 3.2Å; E477-Q480 PolarHBondContact OE2-NE2 2.81Å
478	V	84.7	Confident	84.2	Confident	32 Å²	32	54.6 Å²	54.6	19%	0.194	30%	0.304	C	S	.	.	S	Bend	trans	-82.4	-26.4	177.1	158.1	0	0	0	0	111.7	L462 K466 L476 F524 L525	L462-V478 HydrophobicContact CD1-CG1 3.95Å; L462-V478 HydrophobicContact CD1-CG2 4.02Å; L462-V478 HydrophobicContact CD2-CG1 3.66Å; L462-V478 HydrophobicContact CG-CG1 4.05Å; L462-V478 HydrophobicContact CG-CG2 4.23Å; K466-V478 HydrophobicContact CB-CG2 4.4Å; K466-V478 HydrophobicContact CD-CG2 4.35Å; L476-V478 PolarHBondContact O-N 3.05Å; V478-F524 WeakPolarHBondContact O-CA 3.37Å; V478-L525 PolarHBondContact O-N 3.26Å
479	T	84.5	Confident	84	Confident	70 Å²	70	55.8 Å²	55.8	43%	0.429	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	132	179.1	-56.8	0	0	0	0	107.4	R522 T523 F524	T479-R522 HydrophobicContact CG2-CB 4.29Å; T479-T523 CarbonylContact C-O 3.59Å; T479-T523 WeakPolarHBondContact CA-O 3.48Å; T479-T523 WeakPolarHBondContact CG2-O 3.25Å; T479-F524 HydrophobicContact CG2-CB 4.35Å
480	Q	83.9	Confident	83.7	Confident	3 Å²	3	57.8 Å²	57.8	1%	0.014	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	135.4	175.4	-55.8	-155.2	-59.5	0	0	109.9	H395 E477 F482 R492 R522 T523	H395-Q480 PolarHBondContact O-OE1 2.96Å; H395-Q480 VanDerWaalsContact O-OE1 3.11Å; E477-Q480 HydrophobicContact CB-CG 4.26Å; E477-Q480 WeakPolarHBondContact OE2-CG 3.2Å; E477-Q480 PolarHBondContact OE2-NE2 2.81Å; Q480-F482 HydrophobicContact CB-CE2 3.69Å; Q480-F482 HydrophobicContact CB-CZ 4.01Å; Q480-R492 VanDerWaalsContact OE1-NE 3.14Å; Q480-R522 CarbonylContact O-C 3.56Å; Q480-R522 VanDerWaalsContact O-CA 3.26Å; Q480-R522 WeakPolarHBondContact O-CA 3.45Å; Q480-T523 PolarHBondContact N-O 3.33Å; Q480-T523 PolarHBondContact O-N 2.89Å
481	S	84.4	Confident	83.4	Confident	28 Å²	28	57.5 Å²	57.5	20%	0.196	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	142.5	175.1	-80.3	0	0	0	0	111.3	R492 F493 E520 R522	S481-R492 WeakPolarHBondContact O-CA 3.47Å; S481-F493 VanDerWaalsContact CB-O 3.25Å; S481-F493 WeakPolarHBondContact CB-O 3.27Å; S481-F493 PolarHBondContact O-N 3.05Å; S481-E520 PolarHBondContact OG-OE2 3.05Å; S481-R522 PolarHBondContact OG-NE 3.33Å
482	F	84.5	Confident	83.1	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	154.7	178	-56.9	-95.6	0	0	0	110.5	H399 Q480 Y490 S491 R492 H521 T523	H399-F482 AromaticContact CD2-CE1 3.29Å; H399-F482 WeakPolarHBondContact CD2-CE1 3.42Å; H399-F482 AromaticContact CD2-CZ 3.93Å; H399-F482 AromaticContact NE2-CD1 3.9Å; H399-F482 AromaticContact NE2-CE1 3.53Å; Q480-F482 HydrophobicContact CB-CE2 3.69Å; Q480-F482 HydrophobicContact CB-CZ 4.01Å; F482-Y490 HydrophobicContact CB-CD1 4.46Å; F482-S491 CarbonylContact C-O 3.47Å; F482-S491 WeakPolarHBondContact CA-O 3.49Å; F482-S491 WeakPolarHBondContact CB-O 3.37Å; F482-R492 HydrophobicContact CD1-CB 4.47Å; F482-R492 HydrophobicContact CD1-CG 3.85Å; F482-R492 HydrophobicContact CE1-CB 4.48Å; F482-R492 HydrophobicContact CE1-CG 3.42Å; F482-R492 VanDerWaalsContact CE1-CG 3.42Å; F482-R492 HydrophobicContact CZ-CG 4.07Å; F482-H521 WeakPolarHBondContact CA-O 3.3Å; F482-H521 HydrophobicContact CB-CB 4.34Å; F482-H521 VanDerWaalsContact CB-O 3.31Å; F482-H521 WeakPolarHBondContact CB-O 3.38Å; F482-H521 WeakPolarHBondContact CD2-O 3.32Å; F482-H521 PolarHBondContact N-O 2.9Å; F482-H521 PolarHBondContact O-N 2.7Å; F482-T523 HydrophobicContact CD2-CG2 4.37Å; F482-T523 HydrophobicContact CE2-CG2 3.84Å
483	V	84.8	Confident	83	Confident	27 Å²	27	60.4 Å²	60.4	16%	0.164	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	140.5	168	168.1	0	0	0	0	108.5	Y490 S491 F493 P518	V483-Y490 WeakPolarHBondContact O-CA 3.14Å; V483-S491 PolarHBondContact N-O 3.33Å; V483-S491 PolarHBondContact O-N 3Å; V483-S491 PolarHBondContact O-OG 3.3Å; V483-F493 HydrophobicContact CB-CB 4.37Å; V483-F493 HydrophobicContact CG2-CB 3.68Å; V483-F493 HydrophobicContact CG2-CD1 4.33Å; V483-F493 HydrophobicContact CG2-CD2 3.99Å; V483-F493 HydrophobicContact CG2-CG 3.73Å; V483-P518 HydrophobicContact CG1-CB 4.13Å; V483-P518 HydrophobicContact CG2-CB 3.75Å; V483-P518 HydrophobicContact CG2-CG 4.45Å
484	K	83.6	Confident	82.4	Confident	112 Å²	112	61.5 Å²	61.5	49%	0.487	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	121.3	174.8	-168.3	178.6	-178	178.4	0	109.8	Y490	K484-Y490 HydrophobicContact CB-CD1 4.03Å; K484-Y490 HydrophobicContact CB-CE1 3.71Å; K484-Y490 HydrophobicContact CD-CE1 4.18Å; K484-Y490 HydrophobicContact CG-CD1 4.35Å; K484-Y490 HydrophobicContact CG-CE1 3.88Å; K484-Y490 HydrophobicContact CG-CE2 4.33Å
485	N	83.2	Confident	81.1	Confident	56 Å²	56	64.4 Å²	64.4	30%	0.299	34%	0.34	S	S	.	.			trans	-80.1	165	178.6	-60.3	-33.3	0	0	0	110.9	D487 G488 S489 S491	N485-D487 VanDerWaalsContact C-N 3.28Å; N485-D487 WeakPolarHBondContact CB-OD1 3.44Å; N485-D487 PolarHBondContact O-N 2.94Å; N485-G488 PolarHBondContact O-N 3.41Å; N485-S489 PolarHBondContact N-O 2.79Å; N485-S489 PolarHBondContact ND2-OG 2.78Å; N485-S491 PolarHBondContact ND2-N 3.2Å; N485-S491 PolarHBondContact OD1-OG 3.14Å
486	L	79.2	Confident	79.3	Confident	191 Å²	191	66 Å²	66	100%	1	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-25	-177.1	-66.9	178	0	0	0	114.3	G488	L486-G488 PolarHBondContact O-N 3.45Å
487	D	82.5	Confident	77.1	Confident	123 Å²	123	74.6 Å²	74.6	66%	0.658	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-3.4	172.6	66.4	-18.1	0	0	0	113	N485 S489	N485-D487 VanDerWaalsContact C-N 3.28Å; N485-D487 WeakPolarHBondContact CB-OD1 3.44Å; N485-D487 PolarHBondContact O-N 2.94Å; D487-S489 VanDerWaalsContact C-N 3.32Å; D487-S489 WeakPolarHBondContact OD1-CB 3.1Å; D487-S489 PolarHBondContact OD1-N 3.01Å; D487-S489 PolarHBondContact OD1-OG 3.48Å; D487-S489 WeakPolarHBondContact OD2-CB 3.49Å; D487-S489 PolarHBondContact OD2-OG 3.23Å
488	G	78	Confident	75.1	Confident	34 Å²	34	78.4 Å²	78.4	35%	0.351	41%	0.412	S	S	.	.	S	Bend	trans	83	0.7	-174.5	0	0	0	0	0	114.9	N485 L486	N485-G488 PolarHBondContact O-N 3.41Å; L486-G488 PolarHBondContact O-N 3.45Å
489	S	81.9	Confident	73	Confident	29 Å²	29	81.8 Å²	81.8	20%	0.203	44%	0.435	C	S	.	.			trans	-73.7	170.6	169.9	73.2	0	0	0	0	111.4	N485 D487	N485-S489 PolarHBondContact N-O 2.79Å; N485-S489 PolarHBondContact ND2-OG 2.78Å; D487-S489 VanDerWaalsContact C-N 3.32Å; D487-S489 WeakPolarHBondContact OD1-CB 3.1Å; D487-S489 PolarHBondContact OD1-N 3.01Å; D487-S489 PolarHBondContact OD1-OG 3.48Å; D487-S489 WeakPolarHBondContact OD2-CB 3.49Å; D487-S489 PolarHBondContact OD2-OG 3.23Å
490	Y	83.4	Confident	71	Confident	42 Å²	42	84.3 Å²	84.3	17%	0.165	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	126.4	176.5	-68.2	-98.8	0	0	0	108.4	H399 Y400 Q401 F482 V483 K484 H521	H399-Y490 PolarHBondContact CE1-O 2.96Å; H399-Y490 VanDerWaalsContact CE1-O 3.26Å; H399-Y490 PolarHBondContact NE2-O 2.89Å; Y400-Y490 AromaticContact CD1-CD1 3.64Å; Y400-Y490 HydrophobicContact CD1-CD1 3.64Å; Y400-Y490 HydrophobicContact CD1-CD2 4.38Å; Y400-Y490 AromaticContact CD1-CE1 3.36Å; Y400-Y490 HydrophobicContact CD1-CE1 3.36Å; Y400-Y490 HydrophobicContact CD1-CE2 4.15Å; Y400-Y490 HydrophobicContact CD1-CG 4.14Å; Y400-Y490 AromaticContact CD1-CZ 3.64Å; Y400-Y490 HydrophobicContact CE1-CD1 4.35Å; Y400-Y490 AromaticContact CE1-CE1 3.65Å; Y400-Y490 HydrophobicContact CE1-CE1 3.65Å; Y400-Y490 AromaticContact CE1-CZ 3.84Å; Y400-Y490 HydrophobicContact CG-CD1 4.14Å; Y400-Y490 HydrophobicContact CG-CE1 4.27Å; Q401-Y490 HydrophobicContact CG-CD2 3.54Å; Q401-Y490 HydrophobicContact CG-CE2 4.26Å; Q401-Y490 HydrophobicContact CG-CG 4.35Å; F482-Y490 HydrophobicContact CB-CD1 4.46Å; V483-Y490 WeakPolarHBondContact O-CA 3.14Å; K484-Y490 HydrophobicContact CB-CD1 4.03Å; K484-Y490 HydrophobicContact CB-CE1 3.71Å; K484-Y490 HydrophobicContact CD-CE1 4.18Å; K484-Y490 HydrophobicContact CG-CD1 4.35Å; K484-Y490 HydrophobicContact CG-CE1 3.88Å; K484-Y490 HydrophobicContact CG-CE2 4.33Å; Y490-H521 HydrophobicContact CD1-CB 4.07Å; Y490-H521 HydrophobicContact CE1-CB 3.99Å; Y490-H521 AromaticContact CE1-CD2 3.74Å; Y490-H521 AromaticContact CE1-CG 3.63Å; Y490-H521 AromaticContact CE1-ND1 3.89Å
491	S	80.9	Confident	69.1	Low	44 Å²	44	90.4 Å²	90.4	31%	0.308	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	145.2	174	52.7	0	0	0	0	109.8	F482 V483 N485 F493	F482-S491 CarbonylContact C-O 3.47Å; F482-S491 WeakPolarHBondContact CA-O 3.49Å; F482-S491 WeakPolarHBondContact CB-O 3.37Å; V483-S491 PolarHBondContact N-O 3.33Å; V483-S491 PolarHBondContact O-N 3Å; V483-S491 PolarHBondContact O-OG 3.3Å; N485-S491 PolarHBondContact ND2-N 3.2Å; N485-S491 PolarHBondContact OD1-OG 3.14Å; S491-F493 PolarHBondContact O-N 3.25Å
492	R	80.1	Confident	67.1	Low	120 Å²	120	94.5 Å²	94.5	45%	0.453	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	135.9	171	-84.2	-165.3	-174.7	122.8	10.2	109.9	H395 Q480 S481 F482	H395-R492 PolarHBondContact O-NH2 3.39Å; Q480-R492 VanDerWaalsContact OE1-NE 3.14Å; S481-R492 WeakPolarHBondContact O-CA 3.47Å; F482-R492 HydrophobicContact CD1-CB 4.47Å; F482-R492 HydrophobicContact CD1-CG 3.85Å; F482-R492 HydrophobicContact CE1-CB 4.48Å; F482-R492 HydrophobicContact CE1-CG 3.42Å; F482-R492 VanDerWaalsContact CE1-CG 3.42Å; F482-R492 HydrophobicContact CZ-CG 4.07Å
493	F	76.5	Confident	65.1	Low	62 Å²	62	104.1 Å²	104.1	27%	0.272	55%	0.552	S	S	.	*			trans	-122.1	115.6	177.7	177.7	-100.6	0	0	0	109.7	S481 V483 S491 L495	S481-F493 VanDerWaalsContact CB-O 3.25Å; S481-F493 WeakPolarHBondContact CB-O 3.27Å; S481-F493 PolarHBondContact O-N 3.05Å; V483-F493 HydrophobicContact CB-CB 4.37Å; V483-F493 HydrophobicContact CG2-CB 3.68Å; V483-F493 HydrophobicContact CG2-CD1 4.33Å; V483-F493 HydrophobicContact CG2-CD2 3.99Å; V483-F493 HydrophobicContact CG2-CG 3.73Å; S491-F493 PolarHBondContact O-N 3.25Å; F493-L495 HydrophobicContact CE1-CB 4.34Å; F493-L495 HydrophobicContact CZ-CD1 4.24Å
494	H	68.1	Low	62.8	Low	138 Å²	138	108.1 Å²	108.1	64%	0.639	58%	0.581	S	S	*	*			trans	-109.9	120	170.5	-167.9	-66.6	0	0	0	107.7	P496	H494-P496 WeakPolarHBondContact O-CD 3.24Å
495	L	58.6	Low	61.1	Low	107 Å²	107	111 Å²	111	56%	0.56	60%	0.6	S	S	*	*			trans	-66.9	125.9	170.2	-173	72.8	0	0	0	107.7	F493 E497	F493-L495 HydrophobicContact CE1-CB 4.34Å; F493-L495 HydrophobicContact CZ-CD1 4.24Å; L495-E497 PolarHBondContact O-N 3Å
496	P	50.2	Low	59	Low	98 Å²	98	115.7 Å²	115.7	64%	0.636	63%	0.626	S	S	*	*			trans	-55.9	128.2	175.6	-25.5	35.2	0	0	0	110	H494 L498	H494-P496 WeakPolarHBondContact O-CD 3.24Å; P496-L498 PolarHBondContact O-N 3.01Å
497	E	41.5	Very low	57.4	Low	181 Å²	181	109.9 Å²	109.9	85%	0.846	61%	0.612	S	S	*	*			trans	-67.4	103.6	176.4	-172.3	166	-147.4	0	0	107.8	L495	L495-E497 PolarHBondContact O-N 3Å
498	L	42.2	Very low	55.3	Low	149 Å²	149	114.2 Å²	114.2	78%	0.78	62%	0.62	S	S	*	*			trans	-60.1	130.5	177.5	-77.1	169.8	0	0	0	108.3	P496	P496-L498 PolarHBondContact O-N 3.01Å
499	P	40.3	Very low	53.8	Low	103 Å²	103	124 Å²	124	67%	0.669	65%	0.647	S	S	*	*			trans	-52.4	144	170.2	-24.4	33.8	0	0	0	109.8	E501	P499-E501 PolarHBondContact O-N 3.07Å
500	P	43.4	Very low	51.7	Low	123 Å²	123	128.3 Å²	128.3	80%	0.799	67%	0.672	S	S	*	*			trans	-57.2	114.4	175.5	23.9	-33	0	0	0	109	P502	P500-P502 WeakPolarHBondContact O-CD 3.39Å; P500-P502 VanDerWaalsContact O-N 3.16Å
501	E	44.5	Very low	49.8	Very low	132 Å²	132	134.6 Å²	134.6	62%	0.617	70%	0.703	S	S	*	*			trans	-56.8	120.4	173.9	-69.3	-170.7	106.5	0	0	106.9	P499 R512	P499-E501 PolarHBondContact O-N 3.07Å; E501-R512 IonicContact OE1-CZ 3.84Å; E501-R512 IonicContact OE1-NH1 2.68Å; E501-R512 IonicContact OE1-NH2 2.71Å; E501-R512 PolarHBondContact OE1-NH2 3.11Å; E501-R512 IonicContact OE2-CZ 3.67Å; E501-R512 IonicContact OE2-NH1 3.64Å; E501-R512 PolarHBondContact OE2-NH1 3.39Å; E501-R512 IonicContact OE2-NH2 2.74Å; E501-R512 PolarHBondContact OE2-NH2 3Å
502	P	42.6	Very low	48.3	Very low	114 Å²	114	141.1 Å²	141.1	74%	0.74	72%	0.721	S	S	*	*			trans	-62.8	142	179	26.7	-34	0	0	0	109.1	P500 S504	P500-P502 WeakPolarHBondContact O-CD 3.39Å; P500-P502 VanDerWaalsContact O-N 3.16Å; P502-S504 VanDerWaalsContact C-N 3.35Å; P502-S504 PolarHBondContact O-N 3.13Å
503	E	42.7	Very low	46.7	Very low	202 Å²	202	140.3 Å²	140.3	94%	0.944	73%	0.731	S	S	*	*			trans	-62.1	87.6	-171.5	-62.6	-178	150	0	0	112.2	L505	E503-L505 PolarHBondContact O-N 3.27Å
504	S	36.5	Very low	45.3	Very low	110 Å²	110	143.2 Å²	143.2	77%	0.769	76%	0.756	S	S	*	*			trans	-78.1	99.7	175.5	46	0	0	0	0	110.1	P502 D506	P502-S504 VanDerWaalsContact C-N 3.35Å; P502-S504 PolarHBondContact O-N 3.13Å; S504-D506 VanDerWaalsContact C-N 3.26Å; S504-D506 PolarHBondContact O-N 3Å
505	L	46.7	Very low	44.5	Very low	172 Å²	172	142.3 Å²	142.3	90%	0.901	76%	0.761	S	S	*	*			trans	-70.6	76.9	172.3	-172.3	97.6	0	0	0	111	E503	E503-L505 PolarHBondContact O-N 3.27Å
506	D	39.3	Very low	44.2	Very low	155 Å²	155	145.1 Å²	145.1	83%	0.829	77%	0.774	S	S	*	*			trans	-158	146.7	152.8	-120.8	-32.2	0	0	0	114.8	S504 Y508	S504-D506 VanDerWaalsContact C-N 3.26Å; S504-D506 PolarHBondContact O-N 3Å; D506-Y508 PolarHBondContact O-N 3Å
507	G	45.3	Very low	44.6	Very low	69 Å²	69	148.8 Å²	148.8	71%	0.711	78%	0.776	S	S	*	*			trans	-95.4	81.6	-163.5	0	0	0	0	0	115.9
508	Y	38.2	Very low	45.6	Very low	214 Å²	214	143.1 Å²	143.1	84%	0.839	75%	0.754	S	S	*	*			trans	-126.5	116.5	164.9	-84	-88.6	0	0	0	112.7	D506 T510	D506-Y508 PolarHBondContact O-N 3Å; Y508-T510 PolarHBondContact O-N 2.73Å; Y508-T510 VanDerWaalsContact O-N 3.08Å
509	R	46.9	Very low	46.9	Very low	241 Å²	241	141 Å²	141	91%	0.909	74%	0.742	S	S	*	*			trans	-74.3	91.2	166.5	-88.6	-167.8	173.3	-139.4	3.3	109.9
510	T	37.1	Very low	48.7	Very low	118 Å²	118	137.3 Å²	137.3	72%	0.724	72%	0.716	S	S	*	*			trans	-81.4	117.7	155.9	-52.3	0	0	0	0	107.9	Y508 R512	Y508-T510 PolarHBondContact O-N 2.73Å; Y508-T510 VanDerWaalsContact O-N 3.08Å; T510-R512 PolarHBondContact O-N 2.85Å
511	E	44.8	Very low	50.6	Low	175 Å²	175	132 Å²	132	82%	0.818	68%	0.68	S	S	*	*			trans	-66.7	96.1	170.1	-67.9	-167.7	135	0	0	109.1
512	R	50	Low	52.4	Low	181 Å²	181	129.2 Å²	129.2	68%	0.683	66%	0.664	S	S	*	*			trans	-57.4	121.8	165.7	-71.4	179.1	171.9	170.7	-3.6	106.2	E501 T510	E501-R512 IonicContact OE1-CZ 3.84Å; E501-R512 IonicContact OE1-NH1 2.68Å; E501-R512 IonicContact OE1-NH2 2.71Å; E501-R512 PolarHBondContact OE1-NH2 3.11Å; E501-R512 IonicContact OE2-CZ 3.67Å; E501-R512 IonicContact OE2-NH1 3.64Å; E501-R512 PolarHBondContact OE2-NH1 3.39Å; E501-R512 IonicContact OE2-NH2 2.74Å; E501-R512 PolarHBondContact OE2-NH2 3Å; T510-R512 PolarHBondContact O-N 2.85Å
513	P	44.6	Very low	54.5	Low	103 Å²	103	123.8 Å²	123.8	67%	0.669	63%	0.629	S	S	*	*			trans	-59.5	150.1	-177.6	24.6	-34.2	0	0	0	110.2	T515	P513-T515 PolarHBondContact O-N 2.78Å
514	P	48	Very low	56.5	Low	122 Å²	122	117.6 Å²	117.6	79%	0.792	60%	0.599	S	S	*	*			trans	-58.8	109.5	-179.4	24.3	-33.4	0	0	0	109.1	I516	P514-I516 PolarHBondContact O-N 2.97Å
515	T	50.8	Low	58.8	Low	120 Å²	120	112.7 Å²	112.7	74%	0.736	56%	0.564	S	S	*	*			trans	-65.9	111.6	179	1.2	0	0	0	0	107	P513 R517	P513-T515 PolarHBondContact O-N 2.78Å; T515-R517 VanDerWaalsContact C-N 3.34Å; T515-R517 PolarHBondContact O-N 2.84Å
516	I	52.8	Low	60.4	Low	166 Å²	166	107.7 Å²	107.7	85%	0.851	54%	0.535	S	S	*	.			trans	-63.6	97.1	-179.8	-57.5	175.9	0	0	0	107.5	P514	P514-I516 PolarHBondContact O-N 2.97Å
517	R	58.7	Low	61.9	Low	175 Å²	175	101.2 Å²	101.2	66%	0.66	50%	0.501	S	S	*	.			trans	-74.9	129.7	175.3	-65	-170.9	-178.5	-161.9	-0.1	108.1	T515	T515-R517 VanDerWaalsContact C-N 3.34Å; T515-R517 PolarHBondContact O-N 2.84Å
518	P	63	Low	62.6	Low	61 Å²	61	99.4 Å²	99.4	40%	0.396	48%	0.479	S	S	.	.			trans	-54.5	149.7	166	-24	34.7	0	0	0	110.5	V483 E520	V483-P518 HydrophobicContact CG1-CB 4.13Å; V483-P518 HydrophobicContact CG2-CB 3.75Å; V483-P518 HydrophobicContact CG2-CG 4.45Å; P518-E520 PolarHBondContact O-N 2.91Å
519	M	68.8	Low	62.6	Low	106 Å²	106	93.7 Å²	93.7	52%	0.522	48%	0.476	S	S	.	.			trans	-62.5	112.6	174	-65.2	-169.3	81.5	0	0	109.7	H521	M519-H521 PolarHBondContact O-CD2 2.93Å; M519-H521 PolarHBondContact O-N 3.36Å
520	E	79	Confident	62	Low	25 Å²	25	85 Å²	85	12%	0.117	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	117.5	-178.7	-73.9	-172.1	-125.8	0	0	110.7	S481 P518 R522 S570	S481-E520 PolarHBondContact OG-OE2 3.05Å; P518-E520 PolarHBondContact O-N 2.91Å; E520-R522 HydrophobicContact CB-CG 4.45Å; E520-R522 VanDerWaalsContact CD-NH2 3.29Å; E520-R522 IonicContact OE1-NH2 2.74Å; E520-R522 PolarHBondContact OE1-NH2 3.14Å; E520-R522 IonicContact OE2-CZ 3.64Å; E520-R522 VanDerWaalsContact OE2-CZ 3.23Å; E520-R522 IonicContact OE2-NE 3.53Å; E520-R522 PolarHBondContact OE2-NE 3.21Å; E520-R522 IonicContact OE2-NH2 3.54Å; E520-R522 PolarHBondContact OE2-NH2 3.03Å; E520-S570 PolarHBondContact O-N 2.96Å
521	H	81.8	Confident	62.3	Low	12 Å²	12	85.7 Å²	85.7	6%	0.056	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	114.7	171.6	-73.7	-82.6	0	0	0	108.3	Y400 F482 Y490 M519 Q569	Y400-H521 HydrophobicContact CD1-CB 4.08Å; Y400-H521 HydrophobicContact CD2-CB 3.71Å; Y400-H521 HydrophobicContact CE1-CB 3.99Å; Y400-H521 AromaticContact CE1-CG 3.98Å; Y400-H521 AromaticContact CE1-ND1 3.45Å; Y400-H521 WeakPolarHBondContact CE1-ND1 3.1Å; Y400-H521 HydrophobicContact CE2-CB 3.58Å; Y400-H521 AromaticContact CE2-ND1 3.97Å; Y400-H521 HydrophobicContact CG-CB 3.99Å; Y400-H521 AromaticContact CZ-CG 3.87Å; Y400-H521 AromaticContact CZ-ND1 3.25Å; Y400-H521 VanDerWaalsContact CZ-ND1 3.25Å; Y400-H521 PolarHBondContact OH-ND1 2.72Å; Y400-H521 VanDerWaalsContact OH-ND1 3.12Å; F482-H521 WeakPolarHBondContact CA-O 3.3Å; F482-H521 HydrophobicContact CB-CB 4.34Å; F482-H521 VanDerWaalsContact CB-O 3.31Å; F482-H521 WeakPolarHBondContact CB-O 3.38Å; F482-H521 WeakPolarHBondContact CD2-O 3.32Å; F482-H521 PolarHBondContact N-O 2.9Å; F482-H521 PolarHBondContact O-N 2.7Å; Y490-H521 HydrophobicContact CD1-CB 4.07Å; Y490-H521 HydrophobicContact CE1-CB 3.99Å; Y490-H521 AromaticContact CE1-CD2 3.74Å; Y490-H521 AromaticContact CE1-CG 3.63Å; Y490-H521 AromaticContact CE1-ND1 3.89Å; M519-H521 PolarHBondContact O-CD2 2.93Å; M519-H521 PolarHBondContact O-N 3.36Å; H521-Q569 VanDerWaalsContact CE1-CD 3.43Å; H521-Q569 PolarHBondContact CE1-NE2 3.25Å
522	R	83.8	Confident	62	Low	73 Å²	73	82.9 Å²	82.9	28%	0.275	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	140.1	-172.6	-60.1	-176.3	176.8	167.5	-1.6	111.9	Y400 T479 Q480 S481 E520 Q568	Y400-R522 WeakPolarHBondContact CE2-O 3.28Å; T479-R522 HydrophobicContact CG2-CB 4.29Å; Q480-R522 CarbonylContact O-C 3.56Å; Q480-R522 VanDerWaalsContact O-CA 3.26Å; Q480-R522 WeakPolarHBondContact O-CA 3.45Å; S481-R522 PolarHBondContact OG-NE 3.33Å; E520-R522 HydrophobicContact CB-CG 4.45Å; E520-R522 VanDerWaalsContact CD-NH2 3.29Å; E520-R522 IonicContact OE1-NH2 2.74Å; E520-R522 PolarHBondContact OE1-NH2 3.14Å; E520-R522 IonicContact OE2-CZ 3.64Å; E520-R522 VanDerWaalsContact OE2-CZ 3.23Å; E520-R522 IonicContact OE2-NE 3.53Å; E520-R522 PolarHBondContact OE2-NE 3.21Å; E520-R522 IonicContact OE2-NH2 3.54Å; E520-R522 PolarHBondContact OE2-NH2 3.03Å; R522-Q568 HydrophobicContact CB-CB 4.46Å; R522-Q568 PolarHBondContact N-O 3.33Å; R522-Q568 PolarHBondContact O-N 2.91Å
523	T	85.9	Confident	61.5	Low	0 Å²	0	79.5 Å²	79.5	0%	0	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	147.3	163.3	65.1	0	0	0	0	110	M398 Y400 T479 Q480 F482 F565 G566	M398-T523 WeakPolarHBondContact O-CB 3.3Å; M398-T523 VanDerWaalsContact O-CG2 3.28Å; M398-T523 WeakPolarHBondContact O-CG2 3.4Å; M398-T523 PolarHBondContact O-OG1 2.99Å; Y400-T523 HydrophobicContact CD2-CG2 3.9Å; Y400-T523 HydrophobicContact CG-CG2 4.33Å; T479-T523 CarbonylContact C-O 3.59Å; T479-T523 WeakPolarHBondContact CA-O 3.48Å; T479-T523 WeakPolarHBondContact CG2-O 3.25Å; Q480-T523 PolarHBondContact N-O 3.33Å; Q480-T523 PolarHBondContact O-N 2.89Å; F482-T523 HydrophobicContact CD2-CG2 4.37Å; F482-T523 HydrophobicContact CE2-CG2 3.84Å; T523-F565 HydrophobicContact CG2-CD2 4.09Å; T523-F565 HydrophobicContact CG2-CE2 3.97Å; T523-G566 CarbonylContact C-O 3.54Å; T523-G566 VanDerWaalsContact CA-O 3.25Å; T523-G566 WeakPolarHBondContact CA-O 3.35Å
524	F	85.5	Confident	61.3	Low	72 Å²	72	78.7 Å²	78.7	32%	0.316	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	139.4	178.2	65.4	-88.9	0	0	0	112	V478 T479 K526 F565 G566 Q568	V478-F524 WeakPolarHBondContact O-CA 3.37Å; T479-F524 HydrophobicContact CG2-CB 4.35Å; F524-K526 HydrophobicContact CE2-CG 4.22Å; F524-K526 PolarHBondContact O-N 3.38Å; F524-F565 CarbonylContact O-C 3.59Å; F524-F565 VanDerWaalsContact O-CA 3.23Å; F524-F565 WeakPolarHBondContact O-CA 3.46Å; F524-F565 VanDerWaalsContact O-CB 3.24Å; F524-F565 WeakPolarHBondContact O-CB 3.39Å; F524-G566 WeakPolarHBondContact CD1-O 3.06Å; F524-G566 PolarHBondContact N-O 3.05Å; F524-G566 PolarHBondContact O-N 2.9Å; F524-Q568 HydrophobicContact CD1-CB 4.25Å; F524-Q568 HydrophobicContact CE1-CB 4.11Å
525	L	84.4	Confident	60.7	Low	6 Å²	6	79.1 Å²	79.1	3%	0.031	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	121.4	-177.8	-167.7	70.3	0	0	0	111.1	M398 L462 V465 L476 V478 V527 F542 F563	M398-L525 HydrophobicContact CE-CB 4.12Å; M398-L525 HydrophobicContact SD-CB 4.35Å; M398-L525 HydrophobicContact SD-CD1 3.93Å; L462-L525 HydrophobicContact CD1-CB 4.24Å; L462-L525 HydrophobicContact CD1-CD2 3.95Å; L462-L525 HydrophobicContact CD1-CG 4.42Å; V465-L525 HydrophobicContact CG1-CD2 3.95Å; L476-L525 HydrophobicContact CD2-CD2 4.5Å; V478-L525 PolarHBondContact O-N 3.26Å; L525-V527 HydrophobicContact CD2-CG2 3.89Å; L525-V527 HydrophobicContact CG-CG2 3.92Å; L525-V527 PolarHBondContact O-N 3.48Å; L525-F542 HydrophobicContact CD1-CD2 4.36Å; L525-F542 HydrophobicContact CD1-CE2 4.49Å; L525-F542 HydrophobicContact CD2-CD2 4.01Å; L525-F542 HydrophobicContact CD2-CE2 4.26Å; L525-F563 HydrophobicContact CD1-CB 4.12Å; L525-F563 HydrophobicContact CD1-CD2 3.34Å; L525-F563 HydrophobicContact CD1-CE2 3.94Å; L525-F563 HydrophobicContact CD1-CG 3.92Å
526	K	80.3	Confident	60.1	Low	68 Å²	68	81.2 Å²	81.2	30%	0.296	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	107.7	176.4	-74.1	169.2	178	153.7	0	109.1	F524 E564 F565	F524-K526 HydrophobicContact CE2-CG 4.22Å; F524-K526 PolarHBondContact O-N 3.38Å; K526-E564 HydrophobicContact CB-CB 4.15Å; K526-E564 WeakPolarHBondContact CB-O 3.36Å; K526-E564 HydrophobicContact CD-CB 4Å; K526-E564 PolarHBondContact N-O 3Å; K526-F565 WeakPolarHBondContact CD-O 3.19Å; K526-F565 WeakPolarHBondContact CE-O 3.46Å; K526-F565 PolarHBondContact NZ-O 3.12Å
527	V	71.4	Confident	59.6	Low	19 Å²	19	83 Å²	83	12%	0.115	48%	0.481	C	S	.	.			trans	-128.7	88.6	172.1	-176	0	0	0	0	107.3	F459 L462 V465 L525 F542	F459-V527 WeakPolarHBondContact O-CG1 3.18Å; L462-V527 HydrophobicContact CB-CB 4.13Å; L462-V527 HydrophobicContact CB-CG1 4.45Å; L462-V527 HydrophobicContact CD1-CB 4Å; L462-V527 HydrophobicContact CD1-CG2 3.62Å; V465-V527 HydrophobicContact CG2-CG1 4.32Å; V465-V527 HydrophobicContact CG2-CG2 4.27Å; L525-V527 HydrophobicContact CD2-CG2 3.89Å; L525-V527 HydrophobicContact CG-CG2 3.92Å; L525-V527 PolarHBondContact O-N 3.48Å; V527-F542 HydrophobicContact CG2-CB 4.16Å
528	A	58.5	Low	58.9	Low	30 Å²	30	82.7 Å²	82.7	25%	0.248	49%	0.487	C	S	.	.			trans	-85.7	134.3	-157	0	0	0	0	0	115	S540	A528-S540 PolarHBondContact N-O 2.89Å; A528-S540 VanDerWaalsContact N-O 3.15Å
529	A	39.1	Very low	58.4	Low	95 Å²	95	83.6 Å²	83.6	79%	0.785	49%	0.494	S	S	*	.	S	Bend	trans	-151.2	50.6	164.4	0	0	0	0	0	111.5
530	G	32.8	Very low	58.2	Low	57 Å²	57	79.5 Å²	79.5	59%	0.588	48%	0.476	S	S	*	.	S	Bend	trans	177.2	151.7	177.6	0	0	0	0	0	112.4
531	P	45.3	Very low	58.1	Low	133 Å²	133	79.7 Å²	79.7	86%	0.864	48%	0.479	S	S	*	.			trans	-90	127.3	-173.9	33.8	-32.7	0	0	0	112.7
532	S	37.9	Very low	58.2	Low	117 Å²	117	79.1 Å²	79.1	82%	0.818	48%	0.477	S	S	*	.			trans	-149	36.4	174.7	66.8	0	0	0	0	114.6
533	S	39.4	Very low	58.4	Low	110 Å²	110	76.5 Å²	76.5	77%	0.769	47%	0.469	S	S	*	.	S	Bend	trans	-162.7	153.2	154	52.3	0	0	0	0	109.3	D535	S533-D535 VanDerWaalsContact C-N 3.33Å; S533-D535 PolarHBondContact O-N 2.74Å; S533-D535 VanDerWaalsContact O-N 3.14Å
534	G	39.7	Very low	58.5	Low	86 Å²	86	76.5 Å²	76.5	89%	0.887	47%	0.469	S	S	*	.	S	Bend	trans	-85.8	53.9	-173.3	0	0	0	0	0	114.9
535	D	35.3	Very low	58.7	Low	131 Å²	131	74.4 Å²	74.4	70%	0.701	46%	0.46	S	S	*	.	S	Bend	trans	-149.6	171.1	159.9	-140	-31.7	0	0	0	112.3	S533	S533-D535 VanDerWaalsContact C-N 3.33Å; S533-D535 PolarHBondContact O-N 2.74Å; S533-D535 VanDerWaalsContact O-N 3.14Å
536	Q	38.7	Very low	58.9	Low	164 Å²	164	74.3 Å²	74.3	77%	0.766	46%	0.459	S	S	*	.			trans	-69.8	125.1	-149.2	-71.3	167.3	74.9	0	0	117.2	E538	Q536-E538 PolarHBondContact O-N 2.88Å
537	K	42.7	Very low	59.2	Low	204 Å²	204	71.4 Å²	71.4	89%	0.887	45%	0.447	S	S	*	.				54.5	32.3	121.3	-153.6	-153.1	172	-176.9	0	119
538	E	43.7	Very low	59.8	Low	168 Å²	168	71.5 Å²	71.5	79%	0.785	45%	0.448	S	S	*	.			trans	-117.4	114.3	157.6	-74.1	-168.2	156	0	0	110.7	Q536 S540	Q536-E538 PolarHBondContact O-N 2.88Å; E538-S540 PolarHBondContact O-N 3.44Å
539	S	53	Low	60.7	Low	79 Å²	79	74.5 Å²	74.5	55%	0.552	46%	0.46	S	S	*	.			trans	-69.8	127	158.2	56.9	0	0	0	0	107.6	P541	S539-P541 VanDerWaalsContact C-CD 3.49Å; S539-P541 WeakPolarHBondContact O-CD 3.28Å
540	S	63.4	Low	62.8	Low	21 Å²	21	70.3 Å²	70.3	15%	0.147	42%	0.424	C	S	.	.			trans	-88.1	94.6	165.4	38.9	0	0	0	0	109.8	A528 E538	A528-S540 PolarHBondContact N-O 2.89Å; A528-S540 VanDerWaalsContact N-O 3.15Å; E538-S540 PolarHBondContact O-N 3.44Å
541	P	77.6	Confident	65	Low	28 Å²	28	71.6 Å²	71.6	18%	0.182	42%	0.417	C	S	.	.			trans	-73.1	151.8	167.1	32.1	-36.3	0	0	0	109.8	H458 F459 T460 S539 V543	H458-P541 HydrophobicContact CB-CB 3.82Å; H458-P541 HydrophobicContact CB-CG 4.07Å; F459-P541 WeakPolarHBondContact O-CA 3.41Å; T460-P541 HydrophobicContact CG2-CB 4.2Å; S539-P541 VanDerWaalsContact C-CD 3.49Å; S539-P541 WeakPolarHBondContact O-CD 3.28Å; P541-V543 HydrophobicContact CB-CG2 4.5Å; P541-V543 HydrophobicContact CG-CG2 3.92Å; P541-V543 WeakPolarHBondContact O-CG2 3.48Å; P541-V543 PolarHBondContact O-N 2.88Å
542	F	84.3	Confident	66.4	Low	0 Å²	0	69.3 Å²	69.3	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	128.9	157.4	-168.5	-78.8	0	0	0	108	I394 F459 V465 F469 L525 V527 I544 I561 F563	I394-F542 HydrophobicContact CD1-CZ 4.21Å; F459-F542 HydrophobicContact CB-CB 4.3Å; F459-F542 PolarHBondContact N-O 2.87Å; F459-F542 PolarHBondContact O-N 3.48Å; V465-F542 HydrophobicContact CG1-CB 4.38Å; V465-F542 HydrophobicContact CG1-CD1 4.07Å; V465-F542 HydrophobicContact CG1-CD2 3.59Å; V465-F542 HydrophobicContact CG1-CE1 4.2Å; V465-F542 HydrophobicContact CG1-CE2 3.72Å; V465-F542 HydrophobicContact CG1-CG 3.76Å; V465-F542 HydrophobicContact CG1-CZ 4.01Å; V465-F542 HydrophobicContact CG2-CB 3.63Å; V465-F542 HydrophobicContact CG2-CD1 4.27Å; V465-F542 HydrophobicContact CG2-CD2 4.38Å; V465-F542 HydrophobicContact CG2-CG 3.86Å; F469-F542 HydrophobicContact CD2-CE1 4.37Å; F469-F542 HydrophobicContact CD2-CZ 4.12Å; F469-F542 HydrophobicContact CE2-CD1 4.41Å; F469-F542 AromaticContact CE2-CE1 3.37Å; F469-F542 HydrophobicContact CE2-CE1 3.37Å; F469-F542 AromaticContact CE2-CZ 3.43Å; F469-F542 HydrophobicContact CE2-CZ 3.43Å; F469-F542 VanDerWaalsContact CE2-CZ 3.43Å; F469-F542 AromaticContact CZ-CE1 3.81Å; F469-F542 HydrophobicContact CZ-CE1 3.81Å; F469-F542 AromaticContact CZ-CZ 3.87Å; F469-F542 HydrophobicContact CZ-CZ 3.87Å; L525-F542 HydrophobicContact CD1-CD2 4.36Å; L525-F542 HydrophobicContact CD1-CE2 4.49Å; L525-F542 HydrophobicContact CD2-CD2 4.01Å; L525-F542 HydrophobicContact CD2-CE2 4.26Å; V527-F542 HydrophobicContact CG2-CB 4.16Å; F542-I544 HydrophobicContact CD1-CG1 4.05Å; F542-I544 HydrophobicContact CE1-CD1 4.12Å; F542-I544 HydrophobicContact CE1-CG1 3.77Å; F542-I561 HydrophobicContact CE1-CG2 3.65Å; F542-I561 HydrophobicContact CE2-CG2 4.24Å; F542-I561 HydrophobicContact CZ-CG2 3.36Å; F542-F563 HydrophobicContact CD2-CB 3.47Å; F542-F563 VanDerWaalsContact CD2-CB 3.47Å; F542-F563 HydrophobicContact CD2-CD1 4.5Å; F542-F563 HydrophobicContact CD2-CG 4.16Å; F542-F563 HydrophobicContact CE2-CB 3.76Å; F542-F563 AromaticContact CE2-CD1 3.91Å; F542-F563 HydrophobicContact CE2-CD1 3.91Å; F542-F563 AromaticContact CE2-CG 3.96Å; F542-F563 HydrophobicContact CE2-CG 3.96Å; F542-F563 HydrophobicContact CG-CB 4.26Å; F542-F563 HydrophobicContact CZ-CD1 4.46Å
543	V	86.6	Confident	68.3	Low	19 Å²	19	75.4 Å²	75.4	12%	0.115	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	129.6	-173.7	-168.2	0	0	0	0	110	T456 P541 E545 I561 S562	T456-V543 HydrophobicContact CG2-CG1 3.48Å; T456-V543 VanDerWaalsContact CG2-CG1 3.48Å; P541-V543 HydrophobicContact CB-CG2 4.5Å; P541-V543 HydrophobicContact CG-CG2 3.92Å; P541-V543 WeakPolarHBondContact O-CG2 3.48Å; P541-V543 PolarHBondContact O-N 2.88Å; V543-E545 HydrophobicContact CG1-CG 3.9Å; V543-I561 WeakPolarHBondContact O-CA 3.49Å; V543-S562 PolarHBondContact N-O 3.45Å; V543-S562 PolarHBondContact O-N 2.83Å
544	I	88.8	Confident	70.2	Confident	0 Å²	0	74 Å²	74	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	126.7	169.2	-56.6	178.9	0	0	0	107.4	L425 W457 F459 I468 F469 F542 L559 R560	L425-I544 HydrophobicContact CD2-CD1 3.8Å; W457-I544 PolarHBondContact N-O 3.35Å; W457-I544 PolarHBondContact O-N 3.05Å; F459-I544 HydrophobicContact CD2-CD1 4.4Å; F459-I544 HydrophobicContact CD2-CG1 4.4Å; F459-I544 HydrophobicContact CE2-CB 4.24Å; F459-I544 HydrophobicContact CE2-CD1 3.75Å; F459-I544 HydrophobicContact CE2-CG1 3.95Å; F459-I544 HydrophobicContact CZ-CD1 4.3Å; I468-I544 HydrophobicContact CG2-CD1 4.29Å; F469-I544 HydrophobicContact CE2-CD1 4.01Å; F469-I544 HydrophobicContact CZ-CD1 3.89Å; F542-I544 HydrophobicContact CD1-CG1 4.05Å; F542-I544 HydrophobicContact CE1-CD1 4.12Å; F542-I544 HydrophobicContact CE1-CG1 3.77Å; I544-L559 HydrophobicContact CG2-CD1 3.63Å; I544-R560 WeakPolarHBondContact CA-O 3.26Å
545	E	88.9	Confident	72.2	Confident	27 Å²	27	76.2 Å²	76.2	13%	0.126	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	135.1	177.1	-35.4	-158.6	115.6	0	0	110.1	K454 Y455 T456 V543 L559 R560	K454-E545 WeakPolarHBondContact CE-OE1 3.22Å; K454-E545 WeakPolarHBondContact CE-OE2 3.32Å; K454-E545 IonicContact NZ-OE1 3.94Å; K454-E545 PolarHBondContact NZ-OE1 2.96Å; K454-E545 IonicContact NZ-OE2 2.71Å; K454-E545 PolarHBondContact NZ-OE2 3.1Å; Y455-E545 CarbonylContact O-C 3.6Å; Y455-E545 VanDerWaalsContact O-CA 3.32Å; Y455-E545 WeakPolarHBondContact O-CA 3.44Å; T456-E545 HydrophobicContact CG2-CG 4.19Å; T456-E545 PolarHBondContact OG1-OE1 3.11Å; V543-E545 HydrophobicContact CG1-CG 3.9Å; E545-L559 WeakPolarHBondContact O-CA 3.44Å; E545-R560 HydrophobicContact CB-CB 4.11Å; E545-R560 HydrophobicContact CG-CB 4.29Å; E545-R560 PolarHBondContact N-O 3.23Å; E545-R560 PolarHBondContact O-N 2.82Å
546	W	89.1	Confident	74.6	Confident	4 Å²	4	72.7 Å²	72.7	2%	0.015	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	133.5	175.6	-179.7	-117.4	0	0	0	110.8	I413 F418 Y455 W457 G557 L559	I413-W546 HydrophobicContact CD1-CH2 4.34Å; I413-W546 HydrophobicContact CD1-CZ3 3.89Å; I413-W546 HydrophobicContact CG1-CH2 3.75Å; I413-W546 HydrophobicContact CG1-CZ3 3.5Å; F418-W546 HydrophobicContact CB-CD2 4Å; F418-W546 HydrophobicContact CB-CE3 4.11Å; F418-W546 HydrophobicContact CB-CH2 3.68Å; F418-W546 HydrophobicContact CB-CZ2 3.56Å; F418-W546 HydrophobicContact CB-CZ3 3.98Å; F418-W546 AromaticContact CD1-CD1 3.64Å; F418-W546 AromaticContact CD1-CD2 3.88Å; F418-W546 HydrophobicContact CD1-CD2 3.88Å; F418-W546 AromaticContact CD1-CE2 3.71Å; F418-W546 AromaticContact CD1-CG 3.83Å; F418-W546 HydrophobicContact CD1-CG 3.83Å; F418-W546 HydrophobicContact CD1-CZ2 4.36Å; F418-W546 AromaticContact CD1-NE1 3.57Å; F418-W546 HydrophobicContact CD2-CB 4.05Å; F418-W546 AromaticContact CD2-CD2 3.45Å; F418-W546 HydrophobicContact CD2-CD2 3.45Å; F418-W546 VanDerWaalsContact CD2-CD2 3.45Å; F418-W546 AromaticContact CD2-CE3 3.56Å; F418-W546 HydrophobicContact CD2-CE3 3.56Å; F418-W546 AromaticContact CD2-CG 3.7Å; F418-W546 HydrophobicContact CD2-CG 3.7Å; F418-W546 HydrophobicContact CD2-CZ3 4.19Å; F418-W546 HydrophobicContact CE1-CB 4.2Å; F418-W546 AromaticContact CE1-CD1 3.6Å; F418-W546 HydrophobicContact CE1-CD2 4.31Å; F418-W546 AromaticContact CE1-CG 3.77Å; F418-W546 HydrophobicContact CE1-CG 3.77Å; F418-W546 HydrophobicContact CE2-CB 3.56Å; F418-W546 AromaticContact CE2-CD2 3.94Å; F418-W546 HydrophobicContact CE2-CD2 3.94Å; F418-W546 HydrophobicContact CE2-CE3 4.25Å; F418-W546 AromaticContact CE2-CG 3.67Å; F418-W546 HydrophobicContact CE2-CG 3.67Å; F418-W546 AromaticContact CG-CD2 3.43Å; F418-W546 HydrophobicContact CG-CD2 3.43Å; F418-W546 VanDerWaalsContact CG-CD2 3.43Å; F418-W546 AromaticContact CG-CE2 3.48Å; F418-W546 VanDerWaalsContact CG-CE2 3.48Å; F418-W546 AromaticContact CG-CE3 3.83Å; F418-W546 HydrophobicContact CG-CE3 3.83Å; F418-W546 AromaticContact CG-CG 3.8Å; F418-W546 HydrophobicContact CG-CG 3.8Å; F418-W546 HydrophobicContact CG-CH2 4.23Å; F418-W546 AromaticContact CG-CZ2 3.9Å; F418-W546 HydrophobicContact CG-CZ2 3.9Å; F418-W546 HydrophobicContact CG-CZ3 4.22Å; F418-W546 AromaticContact CG-NE1 3.86Å; F418-W546 HydrophobicContact CZ-CB 3.65Å; F418-W546 AromaticContact CZ-CD1 3.99Å; F418-W546 HydrophobicContact CZ-CD2 4.35Å; F418-W546 AromaticContact CZ-CG 3.71Å; F418-W546 HydrophobicContact CZ-CG 3.71Å; Y455-W546 PolarHBondContact N-O 3.09Å; Y455-W546 PolarHBondContact O-N 3.07Å; W457-W546 HydrophobicContact CH2-CB 4.38Å; W457-W546 HydrophobicContact CZ3-CB 3.84Å; W546-G557 VanDerWaalsContact CH2-C 3.49Å; W546-G557 VanDerWaalsContact CZ3-C 3.46Å; W546-L559 HydrophobicContact CE3-CB 3.91Å; W546-L559 HydrophobicContact CE3-CD1 4.16Å; W546-L559 HydrophobicContact CZ3-CB 3.96Å
547	I	86.5	Confident	77	Confident	8 Å²	8	64.9 Å²	64.9	4%	0.041	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	110.2	168	-54.7	166.9	0	0	0	106.8	F441 F452 K454 V550 G557 E558	F441-I547 HydrophobicContact CE1-CD1 4.02Å; F441-I547 HydrophobicContact CE1-CG1 4.41Å; F441-I547 HydrophobicContact CZ-CD1 3.85Å; F452-I547 HydrophobicContact CB-CG2 3.77Å; F452-I547 HydrophobicContact CD1-CG2 3.86Å; F452-I547 HydrophobicContact CG-CG2 4.05Å; K454-I547 HydrophobicContact CB-CG1 4.18Å; I547-V550 HydrophobicContact CB-CG2 3.94Å; I547-V550 HydrophobicContact CG2-CG2 3.58Å; I547-G557 CarbonylContact O-C 3.58Å; I547-G557 WeakPolarHBondContact O-CA 3.45Å; I547-E558 HydrophobicContact CB-CB 4.4Å; I547-E558 PolarHBondContact N-O 3.47Å; I547-E558 PolarHBondContact O-N 3.47Å
548	P	83.9	Confident	79.2	Confident	21 Å²	21	55.6 Å²	55.6	14%	0.136	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	167.1	174.8	34.6	-37.1	0	0	0	110.7	S453 Y455 V550	S453-P548 VanDerWaalsContact O-CD 3.29Å; S453-P548 WeakPolarHBondContact O-CD 3.39Å; Y455-P548 HydrophobicContact CE2-CG 4.03Å; P548-V550 PolarHBondContact O-N 2.98Å
549	D	78.8	Confident	81.4	Confident	93 Å²	93	47.6 Å²	47.6	50%	0.497	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	56.5	27.6	164.9	-55.3	-48.5	0	0	0	115.7	L551 P552	D549-L551 VanDerWaalsContact C-N 3.31Å; D549-P552 HydrophobicContact CB-CB 4.36Å; D549-P552 WeakPolarHBondContact O-CD 3.49Å
550	V	81.6	Confident	83.2	Confident	6 Å²	6	47.8 Å²	47.8	4%	0.036	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	-34.8	173.2	176.2	0	0	0	0	110.6	P448 I547 P548 M556 E558	P448-V550 HydrophobicContact CG-CB 4.49Å; P448-V550 HydrophobicContact CG-CG1 3.68Å; P448-V550 WeakPolarHBondContact CG-O 3.44Å; I547-V550 HydrophobicContact CB-CG2 3.94Å; I547-V550 HydrophobicContact CG2-CG2 3.58Å; P548-V550 PolarHBondContact O-N 2.98Å; V550-M556 PolarHBondContact N-O 3.4Å; V550-E558 HydrophobicContact CB-CB 4.39Å; V550-E558 HydrophobicContact CG1-CB 4.36Å; V550-E558 HydrophobicContact CG2-CB 3.79Å
551	L	79.7	Confident	84.5	Confident	84 Å²	84	46.9 Å²	46.9	44%	0.44	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	81.3	166.9	-55.3	171.2	0	0	0	109	D549 R553 C554 Q555 M556	D549-L551 VanDerWaalsContact C-N 3.31Å; L551-R553 VanDerWaalsContact C-N 3.31Å; L551-R553 PolarHBondContact O-N 2.75Å; L551-C554 CarbonylContact O-C 3.58Å; L551-C554 PolarHBondContact O-N 2.9Å; L551-Q555 PolarHBondContact O-N 3.17Å; L551-Q555 VanDerWaalsContact O-N 3.08Å; L551-M556 HydrophobicContact CB-CB 4.11Å; L551-M556 HydrophobicContact CD1-CB 4.3Å; L551-M556 HydrophobicContact CD1-CG 4.48Å; L551-M556 PolarHBondContact N-O 2.89Å; L551-M556 PolarHBondContact O-N 3.32Å
552	P	75.1	Confident	85	Confident	86 Å²	86	47 Å²	47	56%	0.558	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-67	-30.6	-165.7	25.2	-32.9	0	0	0	112.9	D549 C554 Q555	D549-P552 HydrophobicContact CB-CB 4.36Å; D549-P552 WeakPolarHBondContact O-CD 3.49Å; P552-C554 PolarHBondContact O-N 3.21Å; P552-Q555 PolarHBondContact O-N 3.36Å
553	R	76.6	Confident	85.1	Confident	244 Å²	244	47.5 Å²	47.5	92%	0.921	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-62.1	-27.1	174.2	-71	-174.7	65.6	-166.2	-1.4	113.5	L551	L551-R553 VanDerWaalsContact C-N 3.31Å; L551-R553 PolarHBondContact O-N 2.75Å
554	C	79.9	Confident	85.2	Confident	82 Å²	82	48.7 Å²	48.7	55%	0.554	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-109.8	3	-178	-59.3	0	0	0	0	112.5	L551 P552 M556	L551-C554 CarbonylContact O-C 3.58Å; L551-C554 PolarHBondContact O-N 2.9Å; P552-C554 PolarHBondContact O-N 3.21Å; C554-M556 HydrophobicContact CB-CG 3.91Å; C554-M556 PolarHBondContact O-N 2.9Å
555	Q	82.5	Confident	85	Confident	131 Å²	131	48.7 Å²	48.7	61%	0.612	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	34.1	-176.2	-55.9	176.8	20.5	0	0	113.2	Q415 L551 P552	Q415-Q555 PolarHBondContact N-O 2.82Å; L551-Q555 PolarHBondContact O-N 3.17Å; L551-Q555 VanDerWaalsContact O-N 3.08Å; P552-Q555 PolarHBondContact O-N 3.36Å
556	M	85.9	Confident	84.8	Confident	58 Å²	58	47.5 Å²	47.5	29%	0.286	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	139.3	175.1	-50.5	-76.3	179.9	0	0	110.5	I413 P414 V550 L551 C554	I413-M556 VanDerWaalsContact C-SD 3.5Å; I413-M556 VanDerWaalsContact O-CA 3.28Å; I413-M556 WeakPolarHBondContact O-CA 3.25Å; P414-M556 HydrophobicContact CB-SD 4.16Å; P414-M556 HydrophobicContact CG-CE 4.11Å; P414-M556 HydrophobicContact CG-SD 3.72Å; V550-M556 PolarHBondContact N-O 3.4Å; L551-M556 HydrophobicContact CB-CB 4.11Å; L551-M556 HydrophobicContact CD1-CB 4.3Å; L551-M556 HydrophobicContact CD1-CG 4.48Å; L551-M556 PolarHBondContact N-O 2.89Å; L551-M556 PolarHBondContact O-N 3.32Å; C554-M556 HydrophobicContact CB-CG 3.91Å; C554-M556 PolarHBondContact O-N 2.9Å
557	G	87.4	Confident	84.6	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	171.3	167.1	0	0	0	0	0	111.8	H412 I413 W546 I547	H412-G557 WeakPolarHBondContact CA-O 3.29Å; I413-G557 PolarHBondContact N-O 2.74Å; I413-G557 PolarHBondContact O-N 2.86Å; W546-G557 VanDerWaalsContact CH2-C 3.49Å; W546-G557 VanDerWaalsContact CZ3-C 3.46Å; I547-G557 CarbonylContact O-C 3.58Å; I547-G557 WeakPolarHBondContact O-CA 3.45Å
558	E	90	Very high	84.4	Confident	9 Å²	9	55 Å²	55	4%	0.042	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	116.1	179.2	-168.4	-173.4	133.3	0	0	109.4	V410 I547 V550 R560	V410-E558 HydrophobicContact CG1-CG 3.57Å; I547-E558 HydrophobicContact CB-CB 4.4Å; I547-E558 PolarHBondContact N-O 3.47Å; I547-E558 PolarHBondContact O-N 3.47Å; V550-E558 HydrophobicContact CB-CB 4.39Å; V550-E558 HydrophobicContact CG1-CB 4.36Å; V550-E558 HydrophobicContact CG2-CB 3.79Å; E558-R560 IonicContact OE1-CZ 3.43Å; E558-R560 IonicContact OE1-NE 2.79Å; E558-R560 PolarHBondContact OE1-NE 2.74Å; E558-R560 IonicContact OE1-NH2 2.73Å; E558-R560 PolarHBondContact OE1-NH2 3.08Å
559	L	90.6	Very high	84.1	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	124	172.5	-177.4	71.9	0	0	0	108.7	W386 V410 Y411 I413 F418 L421 I544 E545 W546 I561	W386-L559 HydrophobicContact CH2-CD2 3.76Å; W386-L559 HydrophobicContact CZ2-CD2 4Å; V410-L559 WeakPolarHBondContact CA-O 3.31Å; Y411-L559 PolarHBondContact N-O 2.77Å; Y411-L559 PolarHBondContact O-N 2.97Å; I413-L559 HydrophobicContact CD1-CB 4.02Å; I413-L559 HydrophobicContact CD1-CD2 3.87Å; I413-L559 HydrophobicContact CD1-CG 4.48Å; I413-L559 HydrophobicContact CG1-CB 4.28Å; F418-L559 HydrophobicContact CD2-CD1 4.03Å; F418-L559 HydrophobicContact CE2-CD1 4.08Å; L421-L559 HydrophobicContact CD2-CD1 3.96Å; L421-L559 HydrophobicContact CD2-CD2 3.86Å; I544-L559 HydrophobicContact CG2-CD1 3.63Å; E545-L559 WeakPolarHBondContact O-CA 3.44Å; W546-L559 HydrophobicContact CE3-CB 3.91Å; W546-L559 HydrophobicContact CE3-CD1 4.16Å; W546-L559 HydrophobicContact CZ3-CB 3.96Å; L559-I561 HydrophobicContact CD2-CD1 4.21Å; L559-I561 HydrophobicContact CD2-CG1 4.48Å; L559-I561 HydrophobicContact CG-CG1 4.41Å
560	R	89.9	Confident	83.4	Confident	83 Å²	83	56.5 Å²	56.5	31%	0.313	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	137.5	169.8	-55.5	-170.9	171.6	-148.1	-8.8	110.4	L409 V410 I544 E545 E558	L409-R560 WeakPolarHBondContact O-CA 3.37Å; V410-R560 HydrophobicContact CG1-CG 4.49Å; V410-R560 HydrophobicContact CG2-CG 4.24Å; I544-R560 WeakPolarHBondContact CA-O 3.26Å; E545-R560 HydrophobicContact CB-CB 4.11Å; E545-R560 HydrophobicContact CG-CB 4.29Å; E545-R560 PolarHBondContact N-O 3.23Å; E545-R560 PolarHBondContact O-N 2.82Å; E558-R560 IonicContact OE1-CZ 3.43Å; E558-R560 IonicContact OE1-NE 2.79Å; E558-R560 PolarHBondContact OE1-NE 2.74Å; E558-R560 IonicContact OE1-NH2 2.73Å; E558-R560 PolarHBondContact OE1-NH2 3.08Å
561	I	90.5	Very high	81.9	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.005	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	120.6	173.8	-63.3	170.8	0	0	0	107.9	V390 I394 P408 L409 Y411 F469 F542 V543 L559 F563	V390-I561 HydrophobicContact CG1-CD1 3.6Å; I394-I561 HydrophobicContact CD1-CG2 4.49Å; P408-I561 CarbonylContact C-O 3.5Å; P408-I561 WeakPolarHBondContact CA-O 3.43Å; L409-I561 HydrophobicContact CB-CB 4.34Å; L409-I561 PolarHBondContact N-O 3.32Å; L409-I561 PolarHBondContact O-N 3.36Å; Y411-I561 HydrophobicContact CE2-CD1 4.13Å; F469-I561 HydrophobicContact CE1-CD1 3.75Å; F469-I561 HydrophobicContact CZ-CD1 3.8Å; F469-I561 HydrophobicContact CZ-CG1 4.48Å; F542-I561 HydrophobicContact CE1-CG2 3.65Å; F542-I561 HydrophobicContact CE2-CG2 4.24Å; F542-I561 HydrophobicContact CZ-CG2 3.36Å; V543-I561 WeakPolarHBondContact O-CA 3.49Å; L559-I561 HydrophobicContact CD2-CD1 4.21Å; L559-I561 HydrophobicContact CD2-CG1 4.48Å; L559-I561 HydrophobicContact CG-CG1 4.41Å; I561-F563 HydrophobicContact CG2-CD1 4.14Å
562	S	87.7	Confident	82	Confident	30 Å²	30	61.6 Å²	61.6	21%	0.21	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	133.4	-179.3	-47	0	0	0	0	109.9	P408 V543	P408-S562 WeakPolarHBondContact CB-OG 3.47Å; V543-S562 PolarHBondContact N-O 3.45Å; V543-S562 PolarHBondContact O-N 2.83Å
563	F	88	Confident	82.3	Confident	11 Å²	11	60.3 Å²	60.3	5%	0.048	33%	0.325	C	S	.	.			trans	-156.4	167.7	-178.2	62.7	-88.9	0	0	0	110.6	I394 M398 P406 L409 L525 F542 I561 F565	I394-F563 HydrophobicContact CB-CE1 4.46Å; I394-F563 HydrophobicContact CB-CZ 4.35Å; I394-F563 HydrophobicContact CG1-CE1 4.01Å; I394-F563 HydrophobicContact CG1-CZ 4.39Å; I394-F563 HydrophobicContact CG2-CE1 4.17Å; I394-F563 HydrophobicContact CG2-CE2 4.36Å; I394-F563 HydrophobicContact CG2-CZ 3.85Å; M398-F563 HydrophobicContact CG-CE2 3.89Å; M398-F563 HydrophobicContact SD-CE2 4.45Å; P406-F563 HydrophobicContact CG-CD2 4.12Å; P406-F563 HydrophobicContact CG-CE1 4.4Å; P406-F563 HydrophobicContact CG-CE2 3.7Å; P406-F563 HydrophobicContact CG-CZ 3.86Å; L409-F563 HydrophobicContact CD1-CE1 4.06Å; L409-F563 HydrophobicContact CG-CE1 4.47Å; L525-F563 HydrophobicContact CD1-CB 4.12Å; L525-F563 HydrophobicContact CD1-CD2 3.34Å; L525-F563 HydrophobicContact CD1-CE2 3.94Å; L525-F563 HydrophobicContact CD1-CG 3.92Å; F542-F563 HydrophobicContact CD2-CB 3.47Å; F542-F563 VanDerWaalsContact CD2-CB 3.47Å; F542-F563 HydrophobicContact CD2-CD1 4.5Å; F542-F563 HydrophobicContact CD2-CG 4.16Å; F542-F563 HydrophobicContact CE2-CB 3.76Å; F542-F563 AromaticContact CE2-CD1 3.91Å; F542-F563 HydrophobicContact CE2-CD1 3.91Å; F542-F563 AromaticContact CE2-CG 3.96Å; F542-F563 HydrophobicContact CE2-CG 3.96Å; F542-F563 HydrophobicContact CG-CB 4.26Å; F542-F563 HydrophobicContact CZ-CD1 4.46Å; I561-F563 HydrophobicContact CG2-CD1 4.14Å; F563-F565 HydrophobicContact CE2-CD1 4.12Å
564	E	86.8	Confident	82.6	Confident	44 Å²	44	50.1 Å²	50.1	21%	0.206	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	160	170.1	-60.6	-169.2	170	0	0	110.2	G404 K405 K526	G404-E564 CarbonylContact O-C 3.57Å; G404-E564 WeakPolarHBondContact O-CA 3.47Å; K405-E564 WeakPolarHBondContact CD-OE1 3.09Å; K405-E564 WeakPolarHBondContact CE-OE1 3.46Å; K405-E564 HydrophobicContact CG-CG 4.27Å; K405-E564 IonicContact NZ-OE1 3.64Å; K405-E564 PolarHBondContact NZ-OE1 3.33Å; K405-E564 IonicContact NZ-OE2 3.4Å; K526-E564 HydrophobicContact CB-CB 4.15Å; K526-E564 WeakPolarHBondContact CB-O 3.36Å; K526-E564 HydrophobicContact CD-CB 4Å; K526-E564 PolarHBondContact N-O 3Å
565	F	85.8	Confident	82.8	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	162.5	169.7	63.9	-88.8	0	0	0	111.7	T397 M398 F402 G404 P406 T523 F524 K526 F563 H567	T397-F565 WeakPolarHBondContact O-CE1 3.41Å; T397-F565 WeakPolarHBondContact O-CZ 3.22Å; M398-F565 HydrophobicContact CE-CB 4.47Å; M398-F565 HydrophobicContact CG-CB 4.3Å; M398-F565 HydrophobicContact CG-CD1 3.96Å; M398-F565 HydrophobicContact CG-CE1 4.38Å; M398-F565 HydrophobicContact CG-CG 4.11Å; F402-F565 HydrophobicContact CB-CZ 4.12Å; G404-F565 WeakPolarHBondContact CA-O 3.46Å; G404-F565 PolarHBondContact O-N 3.15Å; P406-F565 HydrophobicContact CG-CD1 4.19Å; P406-F565 HydrophobicContact CG-CE1 4Å; T523-F565 HydrophobicContact CG2-CD2 4.09Å; T523-F565 HydrophobicContact CG2-CE2 3.97Å; F524-F565 CarbonylContact O-C 3.59Å; F524-F565 VanDerWaalsContact O-CA 3.23Å; F524-F565 WeakPolarHBondContact O-CA 3.46Å; F524-F565 VanDerWaalsContact O-CB 3.24Å; F524-F565 WeakPolarHBondContact O-CB 3.39Å; K526-F565 WeakPolarHBondContact CD-O 3.19Å; K526-F565 WeakPolarHBondContact CE-O 3.46Å; K526-F565 PolarHBondContact NZ-O 3.12Å; F563-F565 HydrophobicContact CE2-CD1 4.12Å; F565-H567 AromaticContact CE2-CE1 3.65Å; F565-H567 AromaticContact CE2-NE2 3.47Å; F565-H567 WeakPolarHBondContact CE2-NE2 3.39Å
566	G	85	Confident	82.8	Confident	3 Å²	3	43 Å²	43	3%	0.031	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	160	178.4	0	0	0	0	0	111.6	T523 F524	T523-G566 CarbonylContact C-O 3.54Å; T523-G566 VanDerWaalsContact CA-O 3.25Å; T523-G566 WeakPolarHBondContact CA-O 3.35Å; F524-G566 WeakPolarHBondContact CD1-O 3.06Å; F524-G566 PolarHBondContact N-O 3.05Å; F524-G566 PolarHBondContact O-N 2.9Å
567	H	84.9	Confident	82.6	Confident	69 Å²	69	42 Å²	42	32%	0.319	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	136.5	173.8	-64.6	95	0	0	0	108.9	Y400 F402 F565	Y400-H567 AromaticContact CD2-CD2 3.56Å; Y400-H567 HydrophobicContact CE2-CB 4.04Å; Y400-H567 AromaticContact CE2-CD2 3.78Å; Y400-H567 AromaticContact CG-CD2 3.88Å; F402-H567 PolarHBondContact O-CE1 2.88Å; F402-H567 PolarHBondContact O-NE2 3.38Å; F565-H567 AromaticContact CE2-CE1 3.65Å; F565-H567 AromaticContact CE2-NE2 3.47Å; F565-H567 WeakPolarHBondContact CE2-NE2 3.39Å
568	Q	81.8	Confident	82.3	Confident	99 Å²	99	45 Å²	45	46%	0.463	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	123.1	173.4	-178.9	178.1	33.5	0	0	108.2	R522 F524	R522-Q568 HydrophobicContact CB-CB 4.46Å; R522-Q568 PolarHBondContact N-O 3.33Å; R522-Q568 PolarHBondContact O-N 2.91Å; F524-Q568 HydrophobicContact CD1-CB 4.25Å; F524-Q568 HydrophobicContact CE1-CB 4.11Å
569	Q	77.9	Confident	81.7	Confident	109 Å²	109	47.8 Å²	47.8	51%	0.509	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	127.7	169.4	-173.1	170.8	-2	0	0	108.5	H521	H521-Q569 VanDerWaalsContact CE1-CD 3.43Å; H521-Q569 PolarHBondContact CE1-NE2 3.25Å
570	S	63	Low	80.9	Confident	38 Å²	38	51.8 Å²	51.8	27%	0.266	31%	0.313	S	S	.	.			trans	-93.7	127.1	167.4	-66.7	0	0	0	0	109.2	E520	E520-S570 PolarHBondContact O-N 2.96Å
571	G	49.8	Very low	80.1	Confident	134 Å²	134	48.9 Å²	48.9	100%	1.381	31%	0.313	S	S	*	.			trans	-132.3	0	170.2	0	0	0	0	0	109.3

Retrieved 571 of 571 residues in 188.9 ms (Link to these results)

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