A0A061HYC8_CRIGR Loading...

G2/M phase-specific E3 ubiquitin-protein ligase isoform 1

AlphaFold DB , UniProt , Accession A0A061HYC8, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene G2e3, Length 740 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.7	Very low	38.8	Very low	239 Å²	239	149 Å²	149	100%	1.177	75%	0.751	S	S	*	*				0	89	0	-73	169.3	132.1	0	0	105.6
2	N	29.3	Very low	42.2	Very low	135 Å²	135	140.5 Å²	140.5	72%	0.722	71%	0.709	S	S	*	*				32.2	123.7	72.7	-78.4	26.7	0	0	0	110.6
3	E	32.3	Very low	45.9	Very low	142 Å²	142	132.3 Å²	132.3	66%	0.664	68%	0.676	S	S	*	*			cis	-175.4	168.4	21.1	-124.2	166.9	-142.6	0	0	108.4
4	N	30.8	Very low	49.3	Very low	120 Å²	120	122.9 Å²	122.9	64%	0.642	63%	0.628	S	S	*	*			trans	82.1	81	152.6	-61.9	-24.1	0	0	0	119.9
5	K	31.1	Very low	52.3	Low	216 Å²	216	116.5 Å²	116.5	94%	0.939	60%	0.595	S	S	*	*				-104.4	98.2	127.9	-87.5	-176.3	177.4	178.2	0	108.1	D7	K5-D7 PolarHBondContact O-N 3.26Å
6	Q	32.8	Very low	54.9	Low	154 Å²	154	109.5 Å²	109.5	72%	0.72	56%	0.559	S	S	*	*			trans	-73.5	106.2	176.4	-155.4	164.7	15.1	0	0	108.1	N8	Q6-N8 PolarHBondContact O-N 3.3Å
7	D	36.1	Very low	57.1	Low	151 Å²	151	103.8 Å²	103.8	81%	0.807	53%	0.531	S	S	*	.			trans	-63.2	115.7	167.7	-172.3	11.2	0	0	0	108.4	K5	K5-D7 PolarHBondContact O-N 3.26Å
8	N	36.7	Very low	59	Low	119 Å²	119	106.3 Å²	106.3	64%	0.636	53%	0.533	S	S	*	.			trans	-118.2	53.1	-168.9	-134.6	-4.7	0	0	0	109.6	Q6 K10	Q6-N8 PolarHBondContact O-N 3.3Å; N8-K10 VanDerWaalsContact C-N 3.31Å; N8-K10 PolarHBondContact O-N 2.92Å
9	S	45.7	Very low	60.5	Low	100 Å²	100	104.7 Å²	104.7	70%	0.699	52%	0.522	S	S	*	.			trans	-63.3	94.7	160.8	176.8	0	0	0	0	108.3	N11	S9-N11 PolarHBondContact O-N 2.94Å
10	K	55.4	Low	61.8	Low	152 Å²	152	103.6 Å²	103.6	66%	0.661	52%	0.518	S	S	*	.			trans	-62.2	102.8	174.7	-72.8	-179.8	-175.9	175.1	0	107.9	N8 L12	N8-K10 VanDerWaalsContact C-N 3.31Å; N8-K10 PolarHBondContact O-N 2.92Å; K10-L12 HydrophobicContact CB-CG 4.46Å; K10-L12 PolarHBondContact O-N 2.76Å
11	N	61.6	Low	62.6	Low	111 Å²	111	102.3 Å²	102.3	59%	0.594	51%	0.513	S	S	*	.			trans	-67.9	83.6	172.9	-163.9	-9.2	0	0	0	109.4	S9 K30	S9-N11 PolarHBondContact O-N 2.94Å; N11-K30 PolarHBondContact OD1-NZ 3.25Å
12	L	80.2	Confident	64.6	Low	47 Å²	47	95.7 Å²	95.7	25%	0.246	48%	0.482	C	S	.	.	P	Polyproline II helix	trans	-66	137.2	-175.6	-71.8	170.8	0	0	0	110.2	K10 K30 T32 S39	K10-L12 HydrophobicContact CB-CG 4.46Å; K10-L12 PolarHBondContact O-N 2.76Å; L12-K30 VanDerWaalsContact O-CE 3.29Å; L12-K30 WeakPolarHBondContact O-CE 3.36Å; L12-K30 PolarHBondContact O-NZ 3.41Å; L12-T32 HydrophobicContact CD1-CG2 4.22Å; L12-S39 WeakPolarHBondContact O-CB 3.11Å
13	A	90.6	Very high	67	Low	34 Å²	34	91.2 Å²	91.2	28%	0.281	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-66	146.9	171	0	0	0	0	0	110.6	I15 N20	A13-I15 PolarHBondContact O-N 2.93Å; A13-N20 WeakPolarHBondContact CA-OD1 3.39Å; A13-N20 WeakPolarHBondContact CB-OD1 3.49Å; A13-N20 PolarHBondContact N-OD1 2.92Å
14	C	93.5	Very high	69.2	Low	0 Å²	0	87.7 Å²	87.7	0%	0	45%	0.451	C	S	.	.	B	Isolated β-bridge	trans	-57.8	129.4	172.7	168.3	0	0	0	0	110.5	F16 C17 R18 K19 S39 H41	C14-F16 PolarHBondContact O-N 3.08Å; C14-C17 VanDerWaalsContact CB-SG 3.53Å; C14-C17 VanDerWaalsContact SG-SG 3.63Å; C14-R18 WeakPolarHBondContact O-CA 3.29Å; C14-R18 PolarHBondContact O-N 3.4Å; C14-K19 PolarHBondContact N-O 3.18Å; C14-S39 CarbonylContact C-O 3.56Å; C14-S39 VanDerWaalsContact CA-O 3.31Å; C14-S39 WeakPolarHBondContact CA-O 3.04Å; C14-H41 WeakPolarHBondContact CB-ND1 3.14Å; C14-H41 PolarHBondContact SG-N 2.92Å; C14-H41 PolarHBondContact SG-ND1 3.02Å; C14-H41 VanDerWaalsContact SG-ND1 3.4Å
15	I	93.8	Very high	71.2	Confident	27 Å²	27	86.1 Å²	86.1	14%	0.138	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-25.5	-172.6	-163.4	169	0	0	0	113.3	A13 R18 F38 S39 V40 V73	A13-I15 PolarHBondContact O-N 2.93Å; I15-R18 VanDerWaalsContact O-CZ 3.22Å; I15-R18 PolarHBondContact O-NE 2.86Å; I15-R18 PolarHBondContact O-NH2 3.27Å; I15-F38 HydrophobicContact CB-CB 4.43Å; I15-F38 HydrophobicContact CD1-CB 3.93Å; I15-F38 HydrophobicContact CD1-CG 4.3Å; I15-F38 HydrophobicContact CG2-CD2 4.33Å; I15-S39 PolarHBondContact N-O 3.18Å; I15-V40 HydrophobicContact CG2-CB 4.47Å; I15-V40 HydrophobicContact CG2-CG2 4.48Å; I15-V73 HydrophobicContact CB-CG2 4.47Å; I15-V73 HydrophobicContact CD1-CG1 4.24Å; I15-V73 HydrophobicContact CD1-CG2 3.96Å; I15-V73 HydrophobicContact CG1-CG1 3.98Å; I15-V73 HydrophobicContact CG1-CG2 3.81Å; I15-V73 HydrophobicContact CG2-CG2 3.97Å
16	F	94.1	Very high	73.6	Confident	5 Å²	5	81.7 Å²	81.7	2%	0.022	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-54.6	176.8	-71.3	-67.4	0	0	0	113	C14 V40 C44 L45 I69 E72 V73 H103	C14-F16 PolarHBondContact O-N 3.08Å; F16-V40 HydrophobicContact CD2-CG2 3.76Å; F16-V40 HydrophobicContact CE2-CG2 3.92Å; F16-C44 HydrophobicContact CB-CB 3.92Å; F16-C44 HydrophobicContact CD2-CB 4.3Å; F16-C44 HydrophobicContact CG-CB 4.45Å; F16-L45 HydrophobicContact CE2-CB 4.11Å; F16-L45 HydrophobicContact CE2-CD1 3.72Å; F16-L45 HydrophobicContact CZ-CD1 4.07Å; F16-I69 HydrophobicContact CE2-CG2 4.19Å; F16-I69 HydrophobicContact CZ-CG2 4.05Å; F16-E72 HydrophobicContact CE1-CB 4.31Å; F16-E72 HydrophobicContact CE1-CG 3.72Å; F16-E72 HydrophobicContact CZ-CG 4.18Å; F16-V73 HydrophobicContact CD1-CG2 4Å; F16-V73 HydrophobicContact CE1-CG2 3.53Å; F16-V73 HydrophobicContact CZ-CG2 3.86Å; F16-H103 PolarHBondContact O-CD2 3.13Å
17	C	92.2	Very high	76.1	Confident	12 Å²	12	75.4 Å²	75.4	8%	0.081	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-11.1	-170.5	76.6	0	0	0	0	114.3	C14 K19 H41 H103 P105	C14-C17 VanDerWaalsContact CB-SG 3.53Å; C14-C17 VanDerWaalsContact SG-SG 3.63Å; C17-K19 PolarHBondContact O-N 3.39Å; C17-K19 PolarHBondContact SG-N 3.29Å; C17-H41 PolarHBondContact SG-ND1 3.32Å; C17-H103 HydrophobicContact CB-CB 4.44Å; C17-P105 HydrophobicContact CB-CG 3.79Å
18	R	91	Very high	78.5	Confident	150 Å²	150	68.3 Å²	68.3	57%	0.566	36%	0.355	S	S	*	.			trans	60.3	18.5	-178.9	-50.2	-60.2	-179.5	172.4	-1.7	114.9	C14 I15	C14-R18 WeakPolarHBondContact O-CA 3.29Å; C14-R18 PolarHBondContact O-N 3.4Å; I15-R18 VanDerWaalsContact O-CZ 3.22Å; I15-R18 PolarHBondContact O-NE 2.86Å; I15-R18 PolarHBondContact O-NH2 3.27Å
19	K	87.6	Confident	80.8	Confident	75 Å²	75	66.6 Å²	66.6	33%	0.326	34%	0.344	S	S	.	.			trans	-93.7	150.6	172	-68.4	-167.1	162	-156.5	0	111.7	C14 C17 D21 Y27 P105	C14-K19 PolarHBondContact N-O 3.18Å; C17-K19 PolarHBondContact O-N 3.39Å; C17-K19 PolarHBondContact SG-N 3.29Å; K19-D21 WeakPolarHBondContact CD-OD2 3.35Å; K19-D21 IonicContact NZ-OD2 3.88Å; K19-D21 PolarHBondContact NZ-OD2 3.48Å; K19-Y27 PolarHBondContact NZ-OH 3.19Å; K19-P105 HydrophobicContact CD-CB 3.87Å; K19-P105 HydrophobicContact CD-CG 3.84Å
20	N	85.7	Confident	82.9	Confident	82 Å²	82	62.8 Å²	62.8	44%	0.439	32%	0.315	S	S	.	.			trans	-92.9	-24.7	173.6	-68	-13.1	0	0	0	112.4	A13 D22 K30	A13-N20 WeakPolarHBondContact CA-OD1 3.39Å; A13-N20 WeakPolarHBondContact CB-OD1 3.49Å; A13-N20 PolarHBondContact N-OD1 2.92Å; N20-D22 PolarHBondContact O-N 3.1Å; N20-K30 PolarHBondContact O-NZ 2.98Å
21	D	79.9	Confident	84.4	Confident	78 Å²	78	58.4 Å²	58.4	42%	0.417	30%	0.295	S	S	.	.			trans	-44.9	128.2	-178.8	-47.7	-9.3	0	0	0	111.7	K19 Y27 H41	K19-D21 WeakPolarHBondContact CD-OD2 3.35Å; K19-D21 IonicContact NZ-OD2 3.88Å; K19-D21 PolarHBondContact NZ-OD2 3.48Å; D21-Y27 HydrophobicContact CB-CE2 3.98Å; D21-H41 PolarHBondContact O-CE1 3.38Å; D21-H41 VanDerWaalsContact O-CE1 3.25Å; D21-H41 PolarHBondContact O-NE2 3.48Å
22	D	76.5	Confident	85.7	Confident	99 Å²	99	56.3 Å²	56.3	53%	0.529	29%	0.287	S	S	.	.			trans	-104.8	107	166.8	-165.2	4.2	0	0	0	108.7	N20 K30	N20-D22 PolarHBondContact O-N 3.1Å; D22-K30 HydrophobicContact CB-CB 4.33Å; D22-K30 HydrophobicContact CB-CD 4.29Å; D22-K30 WeakPolarHBondContact OD1-CB 2.86Å
23	C	79.4	Confident	86.1	Confident	42 Å²	42	56 Å²	56	28%	0.284	28%	0.283	S	S	.	.			trans	-138.9	85.5	-179.8	-173.1	0	0	0	0	107.6	N25 K26 Y27	C23-N25 PolarHBondContact O-N 2.88Å; C23-N25 VanDerWaalsContact O-N 3.16Å; C23-K26 HydrophobicContact CB-CB 4.31Å; C23-K26 PolarHBondContact O-N 3.32Å; C23-Y27 HydrophobicContact CB-CD2 3.99Å; C23-Y27 HydrophobicContact CB-CE2 4.11Å; C23-Y27 PolarHBondContact O-N 3.3Å
24	P	78.7	Confident	85.9	Confident	67 Å²	67	62.8 Å²	62.8	44%	0.435	31%	0.309	S	S	.	.	H	α-helix	trans	-54.8	-36.9	-173	-29.3	36.1	0	0	0	113.4	K26 G28	P24-K26 VanDerWaalsContact C-N 3.3Å; P24-K26 PolarHBondContact O-N 3.06Å; P24-G28 WeakPolarHBondContact O-CA 3.38Å; P24-G28 PolarHBondContact O-N 2.93Å
25	N	73	Confident	85.6	Confident	88 Å²	88	71.5 Å²	71.5	47%	0.471	35%	0.346	S	S	.	.	H	α-helix	trans	-64.9	-29.9	178.2	-67.1	-18.2	0	0	0	113.5	C23 I180	C23-N25 PolarHBondContact O-N 2.88Å; C23-N25 VanDerWaalsContact O-N 3.16Å; N25-I180 HydrophobicContact CB-CD1 4.49Å
26	K	80.6	Confident	85.2	Confident	122 Å²	122	73.1 Å²	73.1	53%	0.53	35%	0.351	S	S	.	.	H	α-helix	trans	-100	-40.3	-177.1	-68.8	-175.9	178.6	178	0	113.1	C23 P24 L108	C23-K26 HydrophobicContact CB-CB 4.31Å; C23-K26 PolarHBondContact O-N 3.32Å; P24-K26 VanDerWaalsContact C-N 3.3Å; P24-K26 PolarHBondContact O-N 3.06Å; K26-L108 WeakPolarHBondContact O-CD1 3.07Å
27	Y	86.4	Confident	85	Confident	22 Å²	22	78.7 Å²	78.7	9%	0.086	38%	0.381	C	S	.	.	H	α-helix	trans	-116.8	-2.8	-171.2	-48.4	-44.6	0	0	0	113.1	K19 D21 C23 H41 Y43 L104 P105 L108	K19-Y27 PolarHBondContact NZ-OH 3.19Å; D21-Y27 HydrophobicContact CB-CE2 3.98Å; C23-Y27 HydrophobicContact CB-CD2 3.99Å; C23-Y27 HydrophobicContact CB-CE2 4.11Å; C23-Y27 PolarHBondContact O-N 3.3Å; Y27-H41 WeakPolarHBondContact O-CB 3.46Å; Y27-Y43 VanDerWaalsContact O-CB 3.22Å; Y27-Y43 WeakPolarHBondContact O-CB 3.39Å; Y27-Y43 PolarHBondContact O-N 2.83Å; Y27-L104 HydrophobicContact CD1-CD2 4.33Å; Y27-P105 HydrophobicContact CD1-CB 4.46Å; Y27-P105 HydrophobicContact CD1-CG 4.07Å; Y27-P105 HydrophobicContact CE1-CB 3.65Å; Y27-P105 HydrophobicContact CE1-CG 3.73Å; Y27-L108 HydrophobicContact CD1-CD1 4.02Å; Y27-L108 HydrophobicContact CE1-CD1 3.94Å
28	G	85.6	Confident	84.9	Confident	2 Å²	2	78.5 Å²	78.5	2%	0.021	38%	0.379	C	S	.	.			trans	75.1	167.5	-167.7	0	0	0	0	0	110.8	P24 K30 Y43	P24-G28 WeakPolarHBondContact O-CA 3.38Å; P24-G28 PolarHBondContact O-N 2.93Å; G28-K30 PolarHBondContact O-N 2.69Å; G28-Y43 VanDerWaalsContact N-CE2 3.29Å
29	E	85.7	Confident	85	Confident	83 Å²	83	71.4 Å²	71.4	39%	0.388	35%	0.352	S	S	.	.			trans	-49.8	131.7	176.6	-170.9	-172	-171.9	0	0	111.1	K31 Y42 Y62	E29-K31 HydrophobicContact CG-CG 4.26Å; E29-K31 WeakPolarHBondContact OE1-CE 3.33Å; E29-K31 IonicContact OE1-NZ 3.62Å; E29-K31 WeakPolarHBondContact OE2-CE 3.08Å; E29-K31 IonicContact OE2-NZ 2.64Å; E29-Y42 PolarHBondContact O-N 3.49Å; E29-Y62 PolarHBondContact OE2-OH 2.91Å
30	K	89.1	Confident	85.2	Confident	21 Å²	21	67.9 Å²	67.9	9%	0.091	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	119.5	171.9	-169.5	-173.2	175.2	-167.6	0	108.8	N11 L12 N20 D22 G28 S39 V40	N11-K30 PolarHBondContact OD1-NZ 3.25Å; L12-K30 VanDerWaalsContact O-CE 3.29Å; L12-K30 WeakPolarHBondContact O-CE 3.36Å; L12-K30 PolarHBondContact O-NZ 3.41Å; N20-K30 PolarHBondContact O-NZ 2.98Å; D22-K30 HydrophobicContact CB-CB 4.33Å; D22-K30 HydrophobicContact CB-CD 4.29Å; D22-K30 WeakPolarHBondContact OD1-CB 2.86Å; G28-K30 PolarHBondContact O-N 2.69Å; K30-S39 WeakPolarHBondContact CE-OG 3.33Å; K30-V40 WeakPolarHBondContact CA-O 3.47Å
31	K	87.1	Confident	85.6	Confident	59 Å²	59	64 Å²	64	26%	0.257	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	138.8	172.2	-72.1	-159.5	179.4	-179.4	0	111.7	E29 Y33 S39 V40 Y62	E29-K31 HydrophobicContact CG-CG 4.26Å; E29-K31 WeakPolarHBondContact OE1-CE 3.33Å; E29-K31 IonicContact OE1-NZ 3.62Å; E29-K31 WeakPolarHBondContact OE2-CE 3.08Å; E29-K31 IonicContact OE2-NZ 2.64Å; K31-Y33 HydrophobicContact CB-CD2 4.43Å; K31-Y33 HydrophobicContact CB-CE2 3.63Å; K31-S39 CarbonylContact O-C 3.58Å; K31-S39 WeakPolarHBondContact O-CA 3.17Å; K31-S39 PolarHBondContact O-OG 3.37Å; K31-V40 PolarHBondContact N-O 2.89Å; K31-V40 PolarHBondContact O-N 3.17Å; K31-Y62 WeakPolarHBondContact CD-OH 3.26Å; K31-Y62 WeakPolarHBondContact CE-OH 3.38Å
32	T	90	Very high	86.1	Confident	67 Å²	67	61.4 Å²	61.4	41%	0.411	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	126.7	174.4	-60.9	0	0	0	0	109	L12 S39	L12-T32 HydrophobicContact CD1-CG2 4.22Å; T32-S39 WeakPolarHBondContact OG1-CB 3.31Å; T32-S39 PolarHBondContact OG1-OG 3.19Å; T32-S39 VanDerWaalsContact OG1-OG 3.1Å
33	Y	87.5	Confident	86.8	Confident	41 Å²	41	57.6 Å²	57.6	16%	0.161	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	94.6	-177.3	-65.9	-85.7	0	0	0	109.6	K31 K35 W36 N37 F38 V40 V61	K31-Y33 HydrophobicContact CB-CD2 4.43Å; K31-Y33 HydrophobicContact CB-CE2 3.63Å; Y33-K35 VanDerWaalsContact C-N 3.33Å; Y33-K35 PolarHBondContact O-N 3.15Å; Y33-W36 VanDerWaalsContact CB-CE3 3.49Å; Y33-W36 AromaticContact CD1-CE3 3.69Å; Y33-W36 HydrophobicContact CD1-CE3 3.69Å; Y33-W36 HydrophobicContact CD1-CH2 4.36Å; Y33-W36 AromaticContact CD1-CZ3 3.3Å; Y33-W36 HydrophobicContact CD1-CZ3 3.3Å; Y33-W36 AromaticContact CE1-CZ3 3.88Å; Y33-W36 HydrophobicContact CE1-CZ3 3.88Å; Y33-W36 AromaticContact CG-CE3 3.68Å; Y33-W36 HydrophobicContact CG-CE3 3.68Å; Y33-W36 AromaticContact CG-CZ3 3.79Å; Y33-W36 HydrophobicContact CG-CZ3 3.79Å; Y33-W36 CarbonylContact O-C 3.58Å; Y33-W36 PolarHBondContact O-N 3.35Å; Y33-W36 VanDerWaalsContact O-N 3.13Å; Y33-N37 PolarHBondContact O-N 2.82Å; Y33-F38 HydrophobicContact CD2-CD2 4.46Å; Y33-F38 AromaticContact CD2-CE2 3.86Å; Y33-F38 HydrophobicContact CD2-CE2 3.86Å; Y33-F38 HydrophobicContact CD2-CZ 4.28Å; Y33-F38 PolarHBondContact N-O 3.35Å; Y33-F38 PolarHBondContact O-N 3.31Å; Y33-V40 HydrophobicContact CD2-CG1 4.33Å; Y33-V40 HydrophobicContact CE2-CG1 3.88Å; Y33-V61 HydrophobicContact CD1-CG2 4.28Å; Y33-V61 HydrophobicContact CD2-CG2 3.88Å; Y33-V61 HydrophobicContact CE1-CG2 3.97Å; Y33-V61 HydrophobicContact CE2-CB 4.23Å; Y33-V61 HydrophobicContact CE2-CG1 3.69Å; Y33-V61 HydrophobicContact CE2-CG2 3.55Å; Y33-V61 HydrophobicContact CG-CG2 4.24Å; Y33-V61 WeakPolarHBondContact OH-CG1 3.46Å
34	E	87.4	Confident	87.5	Confident	177 Å²	177	55.7 Å²	55.7	83%	0.827	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-58.5	-44.1	-176.9	-63.6	-174.4	170	0	0	112.1	W36 N37	E34-W36 PolarHBondContact O-N 3.03Å; E34-N37 PolarHBondContact O-N 3.43Å; E34-N37 VanDerWaalsContact O-N 3.08Å
35	K	87.1	Confident	88.2	Confident	182 Å²	182	52.5 Å²	52.5	79%	0.791	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-51.1	-32.4	177	-176.3	178.2	178.8	177.2	0	113.4	Y33	Y33-K35 VanDerWaalsContact C-N 3.33Å; Y33-K35 PolarHBondContact O-N 3.15Å
36	W	85.4	Confident	89.1	Confident	62 Å²	62	48.7 Å²	48.7	24%	0.235	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-113.9	0.2	-176.2	-53.1	-51.4	0	0	0	113.7	Y33 E34 F38 G60 V61 V66 R70	Y33-W36 VanDerWaalsContact CB-CE3 3.49Å; Y33-W36 AromaticContact CD1-CE3 3.69Å; Y33-W36 HydrophobicContact CD1-CE3 3.69Å; Y33-W36 HydrophobicContact CD1-CH2 4.36Å; Y33-W36 AromaticContact CD1-CZ3 3.3Å; Y33-W36 HydrophobicContact CD1-CZ3 3.3Å; Y33-W36 AromaticContact CE1-CZ3 3.88Å; Y33-W36 HydrophobicContact CE1-CZ3 3.88Å; Y33-W36 AromaticContact CG-CE3 3.68Å; Y33-W36 HydrophobicContact CG-CE3 3.68Å; Y33-W36 AromaticContact CG-CZ3 3.79Å; Y33-W36 HydrophobicContact CG-CZ3 3.79Å; Y33-W36 CarbonylContact O-C 3.58Å; Y33-W36 PolarHBondContact O-N 3.35Å; Y33-W36 VanDerWaalsContact O-N 3.13Å; E34-W36 PolarHBondContact O-N 3.03Å; W36-F38 HydrophobicContact CB-CD1 3.66Å; W36-F38 HydrophobicContact CB-CE1 3.4Å; W36-F38 HydrophobicContact CB-CZ 4.44Å; W36-F38 HydrophobicContact CD2-CE1 4.43Å; W36-F38 HydrophobicContact CE3-CE1 4.15Å; W36-F38 HydrophobicContact CE3-CZ 4.13Å; W36-F38 HydrophobicContact CG-CE1 4.17Å; W36-F38 PolarHBondContact O-N 3.4Å; W36-G60 WeakPolarHBondContact CH2-O 3.22Å; W36-V61 HydrophobicContact CE3-CG2 4.24Å; W36-V61 HydrophobicContact CZ3-CG2 3.84Å; W36-V66 HydrophobicContact CB-CG1 4.33Å; W36-V66 HydrophobicContact CD2-CG1 4.43Å; W36-V66 HydrophobicContact CD2-CG2 3.51Å; W36-V66 HydrophobicContact CE3-CG2 3.67Å; W36-V66 HydrophobicContact CG-CG1 4.08Å; W36-V66 HydrophobicContact CG-CG2 4.03Å; W36-V66 HydrophobicContact CH2-CG2 4.07Å; W36-V66 HydrophobicContact CZ2-CG2 3.88Å; W36-V66 HydrophobicContact CZ3-CG2 3.95Å; W36-R70 PolarHBondContact O-NH2 3.06Å
37	N	88.4	Confident	89.7	Confident	121 Å²	121	43 Å²	43	65%	0.647	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	49.2	178.8	-167.8	28.7	0	0	0	114	Y33 E34	Y33-N37 PolarHBondContact O-N 2.82Å; E34-N37 PolarHBondContact O-N 3.43Å; E34-N37 VanDerWaalsContact O-N 3.08Å
38	F	90.8	Very high	90.1	Very high	9 Å²	9	42 Å²	42	4%	0.039	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	159.9	169.3	69.7	-97.7	0	0	0	112.1	I15 Y33 W36 V40 V61 V66 I69	I15-F38 HydrophobicContact CB-CB 4.43Å; I15-F38 HydrophobicContact CD1-CB 3.93Å; I15-F38 HydrophobicContact CD1-CG 4.3Å; I15-F38 HydrophobicContact CG2-CD2 4.33Å; Y33-F38 HydrophobicContact CD2-CD2 4.46Å; Y33-F38 AromaticContact CD2-CE2 3.86Å; Y33-F38 HydrophobicContact CD2-CE2 3.86Å; Y33-F38 HydrophobicContact CD2-CZ 4.28Å; Y33-F38 PolarHBondContact N-O 3.35Å; Y33-F38 PolarHBondContact O-N 3.31Å; W36-F38 HydrophobicContact CB-CD1 3.66Å; W36-F38 HydrophobicContact CB-CE1 3.4Å; W36-F38 HydrophobicContact CB-CZ 4.44Å; W36-F38 HydrophobicContact CD2-CE1 4.43Å; W36-F38 HydrophobicContact CE3-CE1 4.15Å; W36-F38 HydrophobicContact CE3-CZ 4.13Å; W36-F38 HydrophobicContact CG-CE1 4.17Å; W36-F38 PolarHBondContact O-N 3.4Å; F38-V40 HydrophobicContact CD2-CB 4.37Å; F38-V40 HydrophobicContact CE2-CB 4.3Å; F38-V40 HydrophobicContact CE2-CG1 4.05Å; F38-V61 HydrophobicContact CE2-CG2 4.15Å; F38-V61 HydrophobicContact CZ-CG2 3.82Å; F38-V66 HydrophobicContact CE1-CG1 4Å; F38-I69 HydrophobicContact CZ-CD1 4.27Å
39	S	93.1	Very high	90.3	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	151	169.6	-172.1	0	0	0	0	110.3	L12 C14 I15 K30 K31 T32	L12-S39 WeakPolarHBondContact O-CB 3.11Å; C14-S39 CarbonylContact C-O 3.56Å; C14-S39 VanDerWaalsContact CA-O 3.31Å; C14-S39 WeakPolarHBondContact CA-O 3.04Å; I15-S39 PolarHBondContact N-O 3.18Å; K30-S39 WeakPolarHBondContact CE-OG 3.33Å; K31-S39 CarbonylContact O-C 3.58Å; K31-S39 WeakPolarHBondContact O-CA 3.17Å; K31-S39 PolarHBondContact O-OG 3.37Å; T32-S39 WeakPolarHBondContact OG1-CB 3.31Å; T32-S39 PolarHBondContact OG1-OG 3.19Å; T32-S39 VanDerWaalsContact OG1-OG 3.1Å
40	V	92.4	Very high	90.4	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.012	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	137.3	-178.3	65.8	0	0	0	0	111.6	I15 F16 K30 K31 Y33 F38 L45 V61	I15-V40 HydrophobicContact CG2-CB 4.47Å; I15-V40 HydrophobicContact CG2-CG2 4.48Å; F16-V40 HydrophobicContact CD2-CG2 3.76Å; F16-V40 HydrophobicContact CE2-CG2 3.92Å; K30-V40 WeakPolarHBondContact CA-O 3.47Å; K31-V40 PolarHBondContact N-O 2.89Å; K31-V40 PolarHBondContact O-N 3.17Å; Y33-V40 HydrophobicContact CD2-CG1 4.33Å; Y33-V40 HydrophobicContact CE2-CG1 3.88Å; F38-V40 HydrophobicContact CD2-CB 4.37Å; F38-V40 HydrophobicContact CE2-CB 4.3Å; F38-V40 HydrophobicContact CE2-CG1 4.05Å; V40-L45 HydrophobicContact CG2-CB 3.82Å; V40-V61 HydrophobicContact CG1-CG1 4.06Å
41	H	93.2	Very high	90.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	130.9	166.1	-68.6	123.3	0	0	0	109.8	C14 C17 D21 Y27 Y43 C44 L45	C14-H41 WeakPolarHBondContact CB-ND1 3.14Å; C14-H41 PolarHBondContact SG-N 2.92Å; C14-H41 PolarHBondContact SG-ND1 3.02Å; C14-H41 VanDerWaalsContact SG-ND1 3.4Å; C17-H41 PolarHBondContact SG-ND1 3.32Å; D21-H41 PolarHBondContact O-CE1 3.38Å; D21-H41 VanDerWaalsContact O-CE1 3.25Å; D21-H41 PolarHBondContact O-NE2 3.48Å; Y27-H41 WeakPolarHBondContact O-CB 3.46Å; H41-Y43 PolarHBondContact O-N 3.36Å; H41-C44 HydrophobicContact CB-CB 3.93Å; H41-C44 WeakPolarHBondContact O-CB 3.18Å; H41-C44 PolarHBondContact O-N 3Å; H41-L45 PolarHBondContact O-N 2.89Å; H41-L45 VanDerWaalsContact O-N 3.1Å
42	Y	90.3	Very high	90.2	Very high	23 Å²	23	43 Å²	43	9%	0.09	21%	0.212	C	C	.	.	H	α-helix	trans	-55.4	-45.8	-176.2	179.8	-122.2	0	0	0	113	E29 C44 L45 L46 Y62 K321	E29-Y42 PolarHBondContact O-N 3.49Å; Y42-C44 VanDerWaalsContact C-N 3.32Å; Y42-C44 PolarHBondContact O-N 2.93Å; Y42-L45 PolarHBondContact O-N 3.2Å; Y42-L46 HydrophobicContact CE1-CD2 4.07Å; Y42-L46 WeakPolarHBondContact O-CB 3.47Å; Y42-L46 PolarHBondContact O-N 2.9Å; Y42-Y62 AromaticContact CD2-CD2 3.61Å; Y42-Y62 HydrophobicContact CD2-CD2 3.61Å; Y42-Y62 AromaticContact CD2-CE2 3.68Å; Y42-Y62 HydrophobicContact CD2-CE2 3.68Å; Y42-Y62 HydrophobicContact CD2-CG 4.38Å; Y42-Y62 AromaticContact CE2-CD2 3.89Å; Y42-Y62 HydrophobicContact CE2-CD2 3.89Å; Y42-Y62 HydrophobicContact CE2-CE2 4.34Å; Y42-Y62 HydrophobicContact CE2-CG 4.24Å; Y42-Y62 HydrophobicContact CG-CE2 4.42Å; Y42-K321 HydrophobicContact CE1-CD 4.42Å; Y42-K321 HydrophobicContact CE2-CD 3.67Å; Y42-K321 VanDerWaalsContact CE2-NZ 3.34Å; Y42-K321 WeakPolarHBondContact OH-CD 3.11Å; Y42-K321 WeakPolarHBondContact OH-CG 3.28Å
43	Y	92.7	Very high	89.9	Confident	20 Å²	20	40.7 Å²	40.7	8%	0.078	20%	0.196	C	C	.	.	H	α-helix	trans	-72.5	-25	179.7	-57.5	-19.2	0	0	0	112.9	Y27 G28 H41 M47 F116 H208	Y27-Y43 VanDerWaalsContact O-CB 3.22Å; Y27-Y43 WeakPolarHBondContact O-CB 3.39Å; Y27-Y43 PolarHBondContact O-N 2.83Å; G28-Y43 VanDerWaalsContact N-CE2 3.29Å; H41-Y43 PolarHBondContact O-N 3.36Å; Y43-M47 VanDerWaalsContact O-CB 3.29Å; Y43-M47 WeakPolarHBondContact O-CB 2.79Å; Y43-M47 VanDerWaalsContact O-CG 3.3Å; Y43-M47 WeakPolarHBondContact O-CG 3.19Å; Y43-M47 PolarHBondContact O-N 3.26Å; Y43-F116 HydrophobicContact CD1-CD1 4.49Å; Y43-F116 AromaticContact CD1-CE1 3.57Å; Y43-F116 HydrophobicContact CD1-CE1 3.57Å; Y43-F116 HydrophobicContact CD1-CZ 4.31Å; Y43-F116 HydrophobicContact CD2-CE1 4.08Å; Y43-F116 AromaticContact CD2-CZ 3.98Å; Y43-F116 HydrophobicContact CD2-CZ 3.98Å; Y43-F116 AromaticContact CE1-CE1 3.85Å; Y43-F116 HydrophobicContact CE1-CE1 3.85Å; Y43-F116 HydrophobicContact CE2-CE1 4.36Å; Y43-F116 HydrophobicContact CE2-CZ 4.29Å; Y43-F116 AromaticContact CG-CE1 3.71Å; Y43-F116 HydrophobicContact CG-CE1 3.71Å; Y43-F116 HydrophobicContact CG-CZ 4.03Å; Y43-H208 AromaticContact CE1-CE1 3.79Å; Y43-H208 AromaticContact CE1-ND1 3.81Å; Y43-H208 AromaticContact CZ-CE1 3.91Å; Y43-H208 AromaticContact CZ-ND1 3.49Å; Y43-H208 PolarHBondContact OH-CE1 2.83Å; Y43-H208 PolarHBondContact OH-ND1 3.38Å
44	C	93.7	Very high	89.8	Confident	1 Å²	1	47 Å²	47	1%	0.007	22%	0.219	C	C	.	.	H	α-helix	trans	-68.2	-39.8	173.7	-69.1	0	0	0	0	111.2	F16 H41 Y42 S48	F16-C44 HydrophobicContact CB-CB 3.92Å; F16-C44 HydrophobicContact CD2-CB 4.3Å; F16-C44 HydrophobicContact CG-CB 4.45Å; H41-C44 HydrophobicContact CB-CB 3.93Å; H41-C44 WeakPolarHBondContact O-CB 3.18Å; H41-C44 PolarHBondContact O-N 3Å; Y42-C44 VanDerWaalsContact C-N 3.32Å; Y42-C44 PolarHBondContact O-N 2.93Å; C44-S48 PolarHBondContact O-OG 3.5Å
45	L	93.3	Very high	89.5	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65.8	-53.2	173.8	176.2	62.9	0	0	0	110.6	F16 V40 H41 Y42 M47 S48 I51 V61 F64 I69	F16-L45 HydrophobicContact CE2-CB 4.11Å; F16-L45 HydrophobicContact CE2-CD1 3.72Å; F16-L45 HydrophobicContact CZ-CD1 4.07Å; V40-L45 HydrophobicContact CG2-CB 3.82Å; H41-L45 PolarHBondContact O-N 2.89Å; H41-L45 VanDerWaalsContact O-N 3.1Å; Y42-L45 PolarHBondContact O-N 3.2Å; L45-M47 VanDerWaalsContact C-N 3.33Å; L45-M47 PolarHBondContact O-N 2.94Å; L45-S48 WeakPolarHBondContact O-CB 3.42Å; L45-S48 PolarHBondContact O-N 3.42Å; L45-S48 VanDerWaalsContact O-N 3.17Å; L45-I51 HydrophobicContact CD1-CD1 3.52Å; L45-V61 HydrophobicContact CD2-CB 4.31Å; L45-V61 HydrophobicContact CD2-CG1 3.65Å; L45-F64 HydrophobicContact CD1-CB 4.33Å; L45-F64 HydrophobicContact CD1-CD1 4.36Å; L45-F64 HydrophobicContact CD1-CD2 4.46Å; L45-F64 HydrophobicContact CD1-CG 4.13Å; L45-F64 HydrophobicContact CD2-CB 4.21Å; L45-F64 HydrophobicContact CD2-CD2 3.63Å; L45-F64 HydrophobicContact CD2-CE2 4.21Å; L45-F64 HydrophobicContact CD2-CG 4Å; L45-F64 HydrophobicContact CG-CD2 3.96Å; L45-F64 HydrophobicContact CG-CE2 4.22Å; L45-F64 HydrophobicContact CG-CG 4.14Å; L45-I69 HydrophobicContact CD1-CD1 4.15Å; L45-I69 HydrophobicContact CD1-CG1 3.84Å; L45-I69 HydrophobicContact CD2-CD1 4.47Å
46	L	91.4	Very high	89	Confident	8 Å²	8	36.9 Å²	36.9	4%	0.042	18%	0.177	C	C	.	.	H	α-helix	trans	-60.2	-39.3	-174.2	-172.1	62.5	0	0	0	113.1	Y42 F64 F116 F120	Y42-L46 HydrophobicContact CE1-CD2 4.07Å; Y42-L46 WeakPolarHBondContact O-CB 3.47Å; Y42-L46 PolarHBondContact O-N 2.9Å; L46-F64 HydrophobicContact CD1-CZ 4.3Å; L46-F116 HydrophobicContact CD2-CD1 3.96Å; L46-F116 HydrophobicContact CD2-CE1 4.35Å; L46-F120 HydrophobicContact CD1-CD1 4.31Å; L46-F120 HydrophobicContact CD1-CE1 3.71Å; L46-F120 HydrophobicContact CD1-CE2 4.48Å; L46-F120 HydrophobicContact CD1-CZ 3.8Å; L46-F120 HydrophobicContact CD2-CD1 4.38Å; L46-F120 HydrophobicContact CD2-CE1 3.8Å; L46-F120 HydrophobicContact CG-CD1 3.99Å; L46-F120 HydrophobicContact CG-CE1 3.68Å; L46-F120 HydrophobicContact CG-CZ 4.3Å
47	M	93.6	Very high	88.3	Confident	4 Å²	4	39.2 Å²	39.2	2%	0.02	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-4.1	-177.8	-64.7	-63.5	163	0	0	114.2	Y43 L45 S49 I91 L104 F114 F116 F120	Y43-M47 VanDerWaalsContact O-CB 3.29Å; Y43-M47 WeakPolarHBondContact O-CB 2.79Å; Y43-M47 VanDerWaalsContact O-CG 3.3Å; Y43-M47 WeakPolarHBondContact O-CG 3.19Å; Y43-M47 PolarHBondContact O-N 3.26Å; L45-M47 VanDerWaalsContact C-N 3.33Å; L45-M47 PolarHBondContact O-N 2.94Å; M47-S49 PolarHBondContact O-N 3.37Å; M47-I91 HydrophobicContact CB-CD1 3.54Å; M47-I91 HydrophobicContact CB-CG1 4.1Å; M47-I91 WeakPolarHBondContact O-CG1 3.34Å; M47-L104 HydrophobicContact CB-CD1 4.34Å; M47-L104 HydrophobicContact CG-CD1 4.12Å; M47-F114 HydrophobicContact CB-CD1 4.39Å; M47-F114 HydrophobicContact CE-CB 4.14Å; M47-F114 HydrophobicContact CG-CB 4.41Å; M47-F114 HydrophobicContact CG-CD1 4.17Å; M47-F114 HydrophobicContact SD-CB 3.99Å; M47-F114 HydrophobicContact SD-CD1 4.38Å; M47-F116 HydrophobicContact CE-CB 4.18Å; M47-F116 HydrophobicContact CE-CD1 3.11Å; M47-F116 HydrophobicContact CE-CD2 3.71Å; M47-F116 HydrophobicContact CE-CE1 3.19Å; M47-F116 HydrophobicContact CE-CE2 3.79Å; M47-F116 HydrophobicContact CE-CG 3.38Å; M47-F116 HydrophobicContact CE-CZ 3.55Å; M47-F120 HydrophobicContact CE-CD1 3.94Å; M47-F120 HydrophobicContact SD-CB 4.28Å; M47-F120 HydrophobicContact SD-CD1 4.29Å
48	S	94.1	Very high	87.7	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.007	19%	0.192	C	C	.	.			trans	-66.3	127.8	-178.9	-73.7	0	0	0	0	110.9	C44 L45 G50 E72 S90	C44-S48 PolarHBondContact O-OG 3.5Å; L45-S48 WeakPolarHBondContact O-CB 3.42Å; L45-S48 PolarHBondContact O-N 3.42Å; L45-S48 VanDerWaalsContact O-N 3.17Å; S48-G50 PolarHBondContact O-N 3.32Å; S48-E72 WeakPolarHBondContact CB-OE1 3.1Å; S48-S90 VanDerWaalsContact OG-CB 3.24Å; S48-S90 WeakPolarHBondContact OG-CB 3.33Å; S48-S90 PolarHBondContact OG-OG 2.85Å
49	S	91.1	Very high	87.1	Confident	44 Å²	44	43.8 Å²	43.8	31%	0.308	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-26.9	-164.1	-56.4	0	0	0	0	114	M47 E72 S90 G92 R324	M47-S49 PolarHBondContact O-N 3.37Å; S49-E72 PolarHBondContact N-OE1 2.92Å; S49-S90 PolarHBondContact N-O 3.45Å; S49-S90 PolarHBondContact OG-O 3Å; S49-G92 PolarHBondContact OG-N 2.87Å; S49-R324 PolarHBondContact O-NH1 2.91Å
50	G	86.4	Confident	86.6	Confident	35 Å²	35	45 Å²	45	36%	0.361	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	14.9	-174	0	0	0	0	0	115.4	S48 E72	S48-G50 PolarHBondContact O-N 3.32Å; G50-E72 VanDerWaalsContact C-OE2 3.28Å; G50-E72 WeakPolarHBondContact CA-OE2 3.42Å; G50-E72 PolarHBondContact N-OE1 2.82Å; G50-E72 PolarHBondContact N-OE2 3.42Å
51	I	89.1	Confident	86.2	Confident	3 Å²	3	45 Å²	45	2%	0.015	22%	0.221	C	C	.	.			trans	-112.8	151.2	179.4	-154.5	177.9	0	0	0	112.5	L45 F64 D68 I69 E72 R324	L45-I51 HydrophobicContact CD1-CD1 3.52Å; I51-F64 HydrophobicContact CD1-CB 4.35Å; I51-F64 HydrophobicContact CD1-CD1 3.69Å; I51-F64 HydrophobicContact CD1-CE1 4.41Å; I51-F64 HydrophobicContact CD1-CG 4.33Å; I51-F64 HydrophobicContact CG1-CD1 3.87Å; I51-F64 HydrophobicContact CG1-CE1 4.34Å; I51-F64 HydrophobicContact CG2-CD1 4.22Å; I51-F64 HydrophobicContact CG2-CE1 3.9Å; I51-D68 HydrophobicContact CG1-CB 4.37Å; I51-I69 HydrophobicContact CD1-CB 4.27Å; I51-I69 HydrophobicContact CD1-CG1 3.67Å; I51-E72 HydrophobicContact CB-CB 4.05Å; I51-E72 HydrophobicContact CB-CG 4.01Å; I51-E72 HydrophobicContact CD1-CB 4.35Å; I51-E72 HydrophobicContact CG1-CB 4.31Å; I51-R324 PolarHBondContact O-NH1 2.97Å
52	W	84	Confident	85.5	Confident	104 Å²	104	46.1 Å²	46.1	39%	0.394	23%	0.225	S	C	.	.			trans	-136	142	-176.9	-55	96.6	0	0	0	110.1	R54 R324	W52-R54 HydrophobicContact CB-CG 4.19Å; W52-R54 PolarHBondContact O-N 3.25Å; W52-R324 HydrophobicContact CE3-CB 4.49Å; W52-R324 HydrophobicContact CE3-CG 3.74Å; W52-R324 HydrophobicContact CZ3-CG 3.79Å
53	Q	84.1	Confident	85.2	Confident	18 Å²	18	45 Å²	45	8%	0.084	22%	0.221	C	C	.	.			trans	-93.1	91.2	179.9	-165.6	177.8	-18.4	0	0	108.7	Y62 G63 F64 L322 P323	Q53-Y62 PolarHBondContact NE2-O 3.43Å; Q53-G63 VanDerWaalsContact CG-C 3.47Å; Q53-G63 WeakPolarHBondContact CG-O 3.22Å; Q53-F64 HydrophobicContact CB-CD1 4.12Å; Q53-F64 HydrophobicContact CB-CE1 3.79Å; Q53-F64 HydrophobicContact CB-CE2 4.25Å; Q53-F64 HydrophobicContact CB-CZ 3.87Å; Q53-F64 HydrophobicContact CG-CD2 4.21Å; Q53-F64 HydrophobicContact CG-CE1 4.44Å; Q53-F64 HydrophobicContact CG-CE2 4.12Å; Q53-F64 HydrophobicContact CG-CG 4.42Å; Q53-F64 HydrophobicContact CG-CZ 4.25Å; Q53-L322 PolarHBondContact OE1-O 2.97Å; Q53-P323 HydrophobicContact CB-CB 4.35Å; Q53-P323 HydrophobicContact CG-CB 4.38Å; Q53-P323 VanDerWaalsContact OE1-CA 3.28Å
54	R	85.1	Confident	85	Confident	172 Å²	172	44.2 Å²	44.2	65%	0.649	22%	0.218	S	C	*	.			trans	-106.2	-13	-176.5	-63.5	-172.2	-63.3	172	2.9	114	W52 G63 D68	W52-R54 HydrophobicContact CB-CG 4.19Å; W52-R54 PolarHBondContact O-N 3.25Å; R54-G63 PolarHBondContact N-O 3.26Å; R54-D68 IonicContact CZ-OD2 2.73Å; R54-D68 IonicContact NE-OD2 2.76Å; R54-D68 PolarHBondContact NE-OD2 3.31Å; R54-D68 IonicContact NH2-OD1 3.21Å; R54-D68 PolarHBondContact NH2-OD1 3.16Å; R54-D68 IonicContact NH2-OD2 3.21Å; R54-D68 PolarHBondContact NH2-OD2 2.88Å
55	G	81.4	Confident	84.9	Confident	16 Å²	16	46.8 Å²	46.8	17%	0.165	23%	0.232	C	C	.	.	S	Bend	trans	-80.5	165.7	173.9	0	0	0	0	0	111.5	E59 G63	G55-E59 WeakPolarHBondContact CA-OE2 3.48Å; G55-G63 WeakPolarHBondContact CA-O 3.13Å; G55-G63 PolarHBondContact N-O 2.95Å
56	K	76.6	Confident	84.8	Confident	131 Å²	131	47.9 Å²	47.9	57%	0.57	24%	0.238	S	C	*	.			trans	-69.2	165.8	168.7	-58.6	178.9	-178	175.5	0	110.9	E58 E59 G63	K56-E58 VanDerWaalsContact CB-OE1 3.31Å; K56-E58 WeakPolarHBondContact CB-OE1 3.35Å; K56-E58 WeakPolarHBondContact CB-OE2 3.13Å; K56-E58 WeakPolarHBondContact CD-OE1 3.3Å; K56-E58 PolarHBondContact O-N 3.48Å; K56-E59 HydrophobicContact CB-CG 4.12Å; K56-E59 PolarHBondContact N-OE2 3.39Å; K56-E59 PolarHBondContact O-N 2.89Å; K56-G63 WeakPolarHBondContact O-CA 3.42Å
57	E	69.6	Low	84.7	Confident	112 Å²	112	54 Å²	54	52%	0.523	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-37.2	-173.2	-172.4	160.6	-149.6	0	0	113.1	P320 K321	E57-P320 WeakPolarHBondContact OE1-CA 3.4Å; E57-K321 PolarHBondContact OE1-N 3.44Å
58	E	76.3	Confident	84.7	Confident	143 Å²	143	54.6 Å²	54.6	67%	0.668	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-11	177.2	69	-79.6	-174	0	0	114.5	K56	K56-E58 VanDerWaalsContact CB-OE1 3.31Å; K56-E58 WeakPolarHBondContact CB-OE1 3.35Å; K56-E58 WeakPolarHBondContact CB-OE2 3.13Å; K56-E58 WeakPolarHBondContact CD-OE1 3.3Å; K56-E58 PolarHBondContact O-N 3.48Å
59	E	78.9	Confident	84.6	Confident	83 Å²	83	54.6 Å²	54.6	39%	0.388	27%	0.269	S	S	.	.	S	Bend	trans	-93.3	134.8	-175.8	-69.9	179.9	164.5	0	0	112.7	G55 K56 V61 G63 L65	G55-E59 WeakPolarHBondContact CA-OE2 3.48Å; K56-E59 HydrophobicContact CB-CG 4.12Å; K56-E59 PolarHBondContact N-OE2 3.39Å; K56-E59 PolarHBondContact O-N 2.89Å; E59-V61 PolarHBondContact O-N 3.42Å; E59-G63 WeakPolarHBondContact O-CA 3.46Å; E59-G63 PolarHBondContact O-N 3.32Å; E59-L65 HydrophobicContact CB-CD2 4.44Å
60	G	81.9	Confident	84.8	Confident	26 Å²	26	58.1 Å²	58.1	27%	0.268	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.3	-128.7	175.7	0	0	0	0	0	112.9	W36	W36-G60 WeakPolarHBondContact CH2-O 3.22Å
61	V	83.7	Confident	85.1	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-114.2	96.3	177	175.6	0	0	0	0	108.1	Y33 W36 F38 V40 L45 E59 G63 F64 I69	Y33-V61 HydrophobicContact CD1-CG2 4.28Å; Y33-V61 HydrophobicContact CD2-CG2 3.88Å; Y33-V61 HydrophobicContact CE1-CG2 3.97Å; Y33-V61 HydrophobicContact CE2-CB 4.23Å; Y33-V61 HydrophobicContact CE2-CG1 3.69Å; Y33-V61 HydrophobicContact CE2-CG2 3.55Å; Y33-V61 HydrophobicContact CG-CG2 4.24Å; Y33-V61 WeakPolarHBondContact OH-CG1 3.46Å; W36-V61 HydrophobicContact CE3-CG2 4.24Å; W36-V61 HydrophobicContact CZ3-CG2 3.84Å; F38-V61 HydrophobicContact CE2-CG2 4.15Å; F38-V61 HydrophobicContact CZ-CG2 3.82Å; V40-V61 HydrophobicContact CG1-CG1 4.06Å; L45-V61 HydrophobicContact CD2-CB 4.31Å; L45-V61 HydrophobicContact CD2-CG1 3.65Å; E59-V61 PolarHBondContact O-N 3.42Å; V61-G63 PolarHBondContact O-N 2.93Å; V61-F64 PolarHBondContact N-O 3.02Å; V61-F64 VanDerWaalsContact O-CB 3.29Å; V61-F64 WeakPolarHBondContact O-CB 3.41Å; V61-F64 VanDerWaalsContact O-CD2 3.28Å; V61-F64 WeakPolarHBondContact O-CD2 3.27Å; V61-F64 PolarHBondContact O-N 3.14Å; V61-I69 HydrophobicContact CB-CD1 3.75Å; V61-I69 HydrophobicContact CG2-CD1 3.79Å
62	Y	78.8	Confident	85.5	Confident	25 Å²	25	62.1 Å²	62.1	10%	0.098	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	50.4	-176.2	-45.2	-70.3	0	0	0	112.1	E29 K31 Y42 Q53 F64 K321	E29-Y62 PolarHBondContact OE2-OH 2.91Å; K31-Y62 WeakPolarHBondContact CD-OH 3.26Å; K31-Y62 WeakPolarHBondContact CE-OH 3.38Å; Y42-Y62 AromaticContact CD2-CD2 3.61Å; Y42-Y62 HydrophobicContact CD2-CD2 3.61Å; Y42-Y62 AromaticContact CD2-CE2 3.68Å; Y42-Y62 HydrophobicContact CD2-CE2 3.68Å; Y42-Y62 HydrophobicContact CD2-CG 4.38Å; Y42-Y62 AromaticContact CE2-CD2 3.89Å; Y42-Y62 HydrophobicContact CE2-CD2 3.89Å; Y42-Y62 HydrophobicContact CE2-CE2 4.34Å; Y42-Y62 HydrophobicContact CE2-CG 4.24Å; Y42-Y62 HydrophobicContact CG-CE2 4.42Å; Q53-Y62 PolarHBondContact NE2-O 3.43Å; Y62-F64 WeakPolarHBondContact O-CD2 3.24Å; Y62-F64 PolarHBondContact O-N 3.23Å; Y62-F64 VanDerWaalsContact O-N 3.14Å; Y62-K321 HydrophobicContact CD1-CD 3.48Å; Y62-K321 VanDerWaalsContact CD1-CD 3.48Å; Y62-K321 HydrophobicContact CD2-CD 4.48Å; Y62-K321 HydrophobicContact CE1-CD 4.08Å; Y62-K321 HydrophobicContact CG-CD 3.7Å; Y62-K321 PolarHBondContact OH-NZ 3.44Å
63	G	83.8	Confident	86	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	-1.9	-175.9	0	0	0	0	0	116.2	Q53 R54 G55 K56 E59 V61 L65	Q53-G63 VanDerWaalsContact CG-C 3.47Å; Q53-G63 WeakPolarHBondContact CG-O 3.22Å; R54-G63 PolarHBondContact N-O 3.26Å; G55-G63 WeakPolarHBondContact CA-O 3.13Å; G55-G63 PolarHBondContact N-O 2.95Å; K56-G63 WeakPolarHBondContact O-CA 3.42Å; E59-G63 WeakPolarHBondContact O-CA 3.46Å; E59-G63 PolarHBondContact O-N 3.32Å; V61-G63 PolarHBondContact O-N 2.93Å; G63-L65 PolarHBondContact O-N 3.33Å
64	F	88.7	Confident	86.5	Confident	2 Å²	2	61.9 Å²	61.9	1%	0.009	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-84.2	112.6	168.7	-64.4	-85.4	0	0	0	109.5	L45 L46 I51 Q53 V61 Y62 V66 I69	L45-F64 HydrophobicContact CD1-CB 4.33Å; L45-F64 HydrophobicContact CD1-CD1 4.36Å; L45-F64 HydrophobicContact CD1-CD2 4.46Å; L45-F64 HydrophobicContact CD1-CG 4.13Å; L45-F64 HydrophobicContact CD2-CB 4.21Å; L45-F64 HydrophobicContact CD2-CD2 3.63Å; L45-F64 HydrophobicContact CD2-CE2 4.21Å; L45-F64 HydrophobicContact CD2-CG 4Å; L45-F64 HydrophobicContact CG-CD2 3.96Å; L45-F64 HydrophobicContact CG-CE2 4.22Å; L45-F64 HydrophobicContact CG-CG 4.14Å; L46-F64 HydrophobicContact CD1-CZ 4.3Å; I51-F64 HydrophobicContact CD1-CB 4.35Å; I51-F64 HydrophobicContact CD1-CD1 3.69Å; I51-F64 HydrophobicContact CD1-CE1 4.41Å; I51-F64 HydrophobicContact CD1-CG 4.33Å; I51-F64 HydrophobicContact CG1-CD1 3.87Å; I51-F64 HydrophobicContact CG1-CE1 4.34Å; I51-F64 HydrophobicContact CG2-CD1 4.22Å; I51-F64 HydrophobicContact CG2-CE1 3.9Å; Q53-F64 HydrophobicContact CB-CD1 4.12Å; Q53-F64 HydrophobicContact CB-CE1 3.79Å; Q53-F64 HydrophobicContact CB-CE2 4.25Å; Q53-F64 HydrophobicContact CB-CZ 3.87Å; Q53-F64 HydrophobicContact CG-CD2 4.21Å; Q53-F64 HydrophobicContact CG-CE1 4.44Å; Q53-F64 HydrophobicContact CG-CE2 4.12Å; Q53-F64 HydrophobicContact CG-CG 4.42Å; Q53-F64 HydrophobicContact CG-CZ 4.25Å; V61-F64 PolarHBondContact N-O 3.02Å; V61-F64 VanDerWaalsContact O-CB 3.29Å; V61-F64 WeakPolarHBondContact O-CB 3.41Å; V61-F64 VanDerWaalsContact O-CD2 3.28Å; V61-F64 WeakPolarHBondContact O-CD2 3.27Å; V61-F64 PolarHBondContact O-N 3.14Å; Y62-F64 WeakPolarHBondContact O-CD2 3.24Å; Y62-F64 PolarHBondContact O-N 3.23Å; Y62-F64 VanDerWaalsContact O-N 3.14Å; F64-V66 PolarHBondContact O-N 3.25Å; F64-I69 HydrophobicContact CB-CD1 3.96Å; F64-I69 HydrophobicContact CB-CG1 4.01Å
65	L	90.9	Very high	87.1	Confident	56 Å²	56	58 Å²	58	29%	0.293	28%	0.276	S	S	.	.			trans	-61.6	134.3	176.7	-59.8	179.5	0	0	0	110.2	E59 G63 E67 D68 I69	E59-L65 HydrophobicContact CB-CD2 4.44Å; G63-L65 PolarHBondContact O-N 3.33Å; L65-E67 PolarHBondContact O-N 3.46Å; L65-E67 VanDerWaalsContact O-N 3.14Å; L65-D68 HydrophobicContact CB-CB 4.45Å; L65-D68 PolarHBondContact O-N 3.47Å; L65-I69 PolarHBondContact O-N 2.95Å
66	V	91.3	Very high	87.7	Confident	23 Å²	23	57.3 Å²	57.3	14%	0.139	27%	0.269	C	S	.	.	H	α-helix	trans	-56.9	-34.8	-176.8	174.6	0	0	0	0	112.1	W36 F38 F64 I69 R70	W36-V66 HydrophobicContact CB-CG1 4.33Å; W36-V66 HydrophobicContact CD2-CG1 4.43Å; W36-V66 HydrophobicContact CD2-CG2 3.51Å; W36-V66 HydrophobicContact CE3-CG2 3.67Å; W36-V66 HydrophobicContact CG-CG1 4.08Å; W36-V66 HydrophobicContact CG-CG2 4.03Å; W36-V66 HydrophobicContact CH2-CG2 4.07Å; W36-V66 HydrophobicContact CZ2-CG2 3.88Å; W36-V66 HydrophobicContact CZ3-CG2 3.95Å; F38-V66 HydrophobicContact CE1-CG1 4Å; F64-V66 PolarHBondContact O-N 3.25Å; V66-I69 PolarHBondContact O-N 3.16Å; V66-R70 WeakPolarHBondContact O-CG 3.47Å; V66-R70 PolarHBondContact O-N 3.5Å
67	E	90.5	Very high	88.6	Confident	137 Å²	137	53.6 Å²	53.6	64%	0.64	26%	0.259	S	S	*	.	H	α-helix	trans	-63.3	-41.5	175.1	-63.7	-176.8	-177.9	0	0	112.5	L65 R70 K71	L65-E67 PolarHBondContact O-N 3.46Å; L65-E67 VanDerWaalsContact O-N 3.14Å; E67-R70 PolarHBondContact O-N 3.33Å; E67-K71 VanDerWaalsContact O-CG 3.3Å; E67-K71 WeakPolarHBondContact O-CG 3.37Å; E67-K71 PolarHBondContact O-N 3.02Å
68	D	91.9	Very high	89.8	Confident	16 Å²	16	56.7 Å²	56.7	9%	0.086	27%	0.271	C	S	.	.	H	α-helix	trans	-71.8	-34.6	179.4	-70.2	-17.7	0	0	0	110.7	I51 R54 L65 K71 E72	I51-D68 HydrophobicContact CG1-CB 4.37Å; R54-D68 IonicContact CZ-OD2 2.73Å; R54-D68 IonicContact NE-OD2 2.76Å; R54-D68 PolarHBondContact NE-OD2 3.31Å; R54-D68 IonicContact NH2-OD1 3.21Å; R54-D68 PolarHBondContact NH2-OD1 3.16Å; R54-D68 IonicContact NH2-OD2 3.21Å; R54-D68 PolarHBondContact NH2-OD2 2.88Å; L65-D68 HydrophobicContact CB-CB 4.45Å; L65-D68 PolarHBondContact O-N 3.47Å; D68-K71 PolarHBondContact O-N 2.92Å; D68-K71 IonicContact OD1-NZ 3.3Å; D68-K71 PolarHBondContact OD1-NZ 2.97Å; D68-E72 WeakPolarHBondContact O-CB 3.34Å; D68-E72 PolarHBondContact O-N 2.92Å
69	I	93.4	Very high	90.8	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.4	-49.2	169.4	-61.6	173.6	0	0	0	110.4	F16 F38 L45 I51 V61 F64 L65 V66 K71 E72 V73	F16-I69 HydrophobicContact CE2-CG2 4.19Å; F16-I69 HydrophobicContact CZ-CG2 4.05Å; F38-I69 HydrophobicContact CZ-CD1 4.27Å; L45-I69 HydrophobicContact CD1-CD1 4.15Å; L45-I69 HydrophobicContact CD1-CG1 3.84Å; L45-I69 HydrophobicContact CD2-CD1 4.47Å; I51-I69 HydrophobicContact CD1-CB 4.27Å; I51-I69 HydrophobicContact CD1-CG1 3.67Å; V61-I69 HydrophobicContact CB-CD1 3.75Å; V61-I69 HydrophobicContact CG2-CD1 3.79Å; F64-I69 HydrophobicContact CB-CD1 3.96Å; F64-I69 HydrophobicContact CB-CG1 4.01Å; L65-I69 PolarHBondContact O-N 2.95Å; V66-I69 PolarHBondContact O-N 3.16Å; I69-K71 PolarHBondContact O-N 3.18Å; I69-E72 PolarHBondContact O-N 3Å; I69-V73 HydrophobicContact CG2-CG2 4.47Å; I69-V73 VanDerWaalsContact O-CG2 3.28Å; I69-V73 WeakPolarHBondContact O-CG2 3.28Å; I69-V73 PolarHBondContact O-N 3.03Å
70	R	93.8	Very high	91.7	Very high	119 Å²	119	54.7 Å²	54.7	45%	0.449	26%	0.262	S	S	.	.	H	α-helix	trans	-63.3	-41.3	178.7	-72.1	179.7	-172.7	-96.5	-3	111.9	W36 V66 E67 E72 V73 N74	W36-R70 PolarHBondContact O-NH2 3.06Å; V66-R70 WeakPolarHBondContact O-CG 3.47Å; V66-R70 PolarHBondContact O-N 3.5Å; E67-R70 PolarHBondContact O-N 3.33Å; R70-E72 VanDerWaalsContact C-N 3.34Å; R70-E72 PolarHBondContact O-N 3.18Å; R70-V73 PolarHBondContact O-N 3.4Å; R70-N74 WeakPolarHBondContact O-CB 3.4Å; R70-N74 VanDerWaalsContact O-CG 3.22Å; R70-N74 PolarHBondContact O-N 2.67Å; R70-N74 PolarHBondContact O-ND2 3.3Å
71	K	94.3	Very high	92.4	Very high	119 Å²	119	53.5 Å²	53.5	52%	0.517	25%	0.249	S	C	.	.	H	α-helix	trans	-59.7	-44.4	174	-74.3	170.3	-167.3	159.1	0	111.4	E67 D68 I69 N74 R75	E67-K71 VanDerWaalsContact O-CG 3.3Å; E67-K71 WeakPolarHBondContact O-CG 3.37Å; E67-K71 PolarHBondContact O-N 3.02Å; D68-K71 PolarHBondContact O-N 2.92Å; D68-K71 IonicContact OD1-NZ 3.3Å; D68-K71 PolarHBondContact OD1-NZ 2.97Å; I69-K71 PolarHBondContact O-N 3.18Å; K71-N74 PolarHBondContact O-N 3.29Å; K71-R75 PolarHBondContact O-N 2.92Å
72	E	95.6	Very high	93	Very high	3 Å²	3	55.3 Å²	55.3	1%	0.014	26%	0.26	C	S	.	.	H	α-helix	trans	-66.5	-41	178.5	177.3	62.5	179	0	0	112.1	F16 S48 S49 G50 I51 D68 I69 R70 N74 R75 A76	F16-E72 HydrophobicContact CE1-CB 4.31Å; F16-E72 HydrophobicContact CE1-CG 3.72Å; F16-E72 HydrophobicContact CZ-CG 4.18Å; S48-E72 WeakPolarHBondContact CB-OE1 3.1Å; S49-E72 PolarHBondContact N-OE1 2.92Å; G50-E72 VanDerWaalsContact C-OE2 3.28Å; G50-E72 WeakPolarHBondContact CA-OE2 3.42Å; G50-E72 PolarHBondContact N-OE1 2.82Å; G50-E72 PolarHBondContact N-OE2 3.42Å; I51-E72 HydrophobicContact CB-CB 4.05Å; I51-E72 HydrophobicContact CB-CG 4.01Å; I51-E72 HydrophobicContact CD1-CB 4.35Å; I51-E72 HydrophobicContact CG1-CB 4.31Å; D68-E72 WeakPolarHBondContact O-CB 3.34Å; D68-E72 PolarHBondContact O-N 2.92Å; I69-E72 PolarHBondContact O-N 3Å; R70-E72 VanDerWaalsContact C-N 3.34Å; R70-E72 PolarHBondContact O-N 3.18Å; E72-N74 VanDerWaalsContact C-N 3.3Å; E72-N74 PolarHBondContact O-N 3.1Å; E72-R75 PolarHBondContact O-N 2.8Å; E72-R75 IonicContact OE1-CZ 2.67Å; E72-R75 IonicContact OE1-NE 3.14Å; E72-R75 IonicContact OE1-NH2 3.76Å; E72-R75 PolarHBondContact OE1-NH2 2.83Å; E72-R75 IonicContact OE2-CZ 3.32Å; E72-R75 IonicContact OE2-NE 3.56Å; E72-R75 PolarHBondContact OE2-NE 3.47Å; E72-R75 IonicContact OE2-NH2 3.51Å; E72-R75 PolarHBondContact OE2-NH2 2.71Å; E72-A76 VanDerWaalsContact O-CB 3.27Å; E72-A76 WeakPolarHBondContact O-CB 3.29Å; E72-A76 PolarHBondContact O-N 3.44Å
73	V	95.5	Very high	93.8	Very high	15 Å²	15	55.6 Å²	55.6	9%	0.091	27%	0.265	C	S	.	.	H	α-helix	trans	-59.9	-42	173.3	171.1	0	0	0	0	110.9	I15 F16 I69 R70 A76 S77	I15-V73 HydrophobicContact CB-CG2 4.47Å; I15-V73 HydrophobicContact CD1-CG1 4.24Å; I15-V73 HydrophobicContact CD1-CG2 3.96Å; I15-V73 HydrophobicContact CG1-CG1 3.98Å; I15-V73 HydrophobicContact CG1-CG2 3.81Å; I15-V73 HydrophobicContact CG2-CG2 3.97Å; F16-V73 HydrophobicContact CD1-CG2 4Å; F16-V73 HydrophobicContact CE1-CG2 3.53Å; F16-V73 HydrophobicContact CZ-CG2 3.86Å; I69-V73 HydrophobicContact CG2-CG2 4.47Å; I69-V73 VanDerWaalsContact O-CG2 3.28Å; I69-V73 WeakPolarHBondContact O-CG2 3.28Å; I69-V73 PolarHBondContact O-N 3.03Å; R70-V73 PolarHBondContact O-N 3.4Å; V73-A76 PolarHBondContact O-N 2.66Å; V73-S77 WeakPolarHBondContact O-CB 3.44Å; V73-S77 PolarHBondContact O-N 2.9Å
74	N	95.2	Very high	94.4	Very high	102 Å²	102	58 Å²	58	55%	0.545	28%	0.28	S	S	.	.	H	α-helix	trans	-68	-32	176.6	-72.7	-21.8	0	0	0	113.2	R70 K71 E72 S77	R70-N74 WeakPolarHBondContact O-CB 3.4Å; R70-N74 VanDerWaalsContact O-CG 3.22Å; R70-N74 PolarHBondContact O-N 2.67Å; R70-N74 PolarHBondContact O-ND2 3.3Å; K71-N74 PolarHBondContact O-N 3.29Å; E72-N74 VanDerWaalsContact C-N 3.3Å; E72-N74 PolarHBondContact O-N 3.1Å; N74-S77 PolarHBondContact O-OG 3.46Å
75	R	96.2	Very high	94.8	Very high	90 Å²	90	64 Å²	64	34%	0.34	31%	0.307	S	S	.	.	H	α-helix	trans	-70	-48.3	171.7	-171.9	-166.5	69.5	82.1	5.4	110.4	K71 E72 S77 K78 S90	K71-R75 PolarHBondContact O-N 2.92Å; E72-R75 PolarHBondContact O-N 2.8Å; E72-R75 IonicContact OE1-CZ 2.67Å; E72-R75 IonicContact OE1-NE 3.14Å; E72-R75 IonicContact OE1-NH2 3.76Å; E72-R75 PolarHBondContact OE1-NH2 2.83Å; E72-R75 IonicContact OE2-CZ 3.32Å; E72-R75 IonicContact OE2-NE 3.56Å; E72-R75 PolarHBondContact OE2-NE 3.47Å; E72-R75 IonicContact OE2-NH2 3.51Å; E72-R75 PolarHBondContact OE2-NH2 2.71Å; R75-S77 VanDerWaalsContact C-N 3.28Å; R75-S77 PolarHBondContact O-N 3.05Å; R75-K78 PolarHBondContact O-N 3.39Å; R75-S90 PolarHBondContact NH2-O 2.93Å
76	A	95.7	Very high	95	Very high	2 Å²	2	68.5 Å²	68.5	2%	0.017	32%	0.324	C	S	.	.	H	α-helix	trans	-63.5	-32.2	-178.6	0	0	0	0	0	112.6	E72 V73 K78 L79 G88 A89	E72-A76 VanDerWaalsContact O-CB 3.27Å; E72-A76 WeakPolarHBondContact O-CB 3.29Å; E72-A76 PolarHBondContact O-N 3.44Å; V73-A76 PolarHBondContact O-N 2.66Å; A76-K78 PolarHBondContact O-N 3.49Å; A76-K78 VanDerWaalsContact O-N 3.17Å; A76-L79 PolarHBondContact O-N 3.14Å; A76-G88 CarbonylContact O-C 3.42Å; A76-G88 WeakPolarHBondContact O-CA 3.41Å; A76-G88 PolarHBondContact O-N 3.09Å; A76-A89 PolarHBondContact O-N 2.82Å
77	S	95.1	Very high	95.2	Very high	52 Å²	52	72.1 Å²	72.1	36%	0.364	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-22	177.4	73	0	0	0	0	113.4	V73 N74 R75 N87	V73-S77 WeakPolarHBondContact O-CB 3.44Å; V73-S77 PolarHBondContact O-N 2.9Å; N74-S77 PolarHBondContact O-OG 3.46Å; R75-S77 VanDerWaalsContact C-N 3.28Å; R75-S77 PolarHBondContact O-N 3.05Å; S77-N87 WeakPolarHBondContact O-CB 3.15Å; S77-N87 PolarHBondContact O-ND2 3.26Å
78	K	95.3	Very high	95.4	Very high	178 Å²	178	66.1 Å²	66.1	77%	0.774	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-9.5	174.7	-56.6	176.5	-174.5	179.6	0	112.9	R75 A76	R75-K78 PolarHBondContact O-N 3.39Å; A76-K78 PolarHBondContact O-N 3.49Å; A76-K78 VanDerWaalsContact O-N 3.17Å
79	L	95.9	Very high	95.6	Very high	57 Å²	57	65.3 Å²	65.3	30%	0.298	31%	0.313	S	S	.	.	S	Bend	trans	-103.2	128.5	-177.8	-60.5	-178.2	0	0	0	111.2	A76 N87 G88 A89	A76-L79 PolarHBondContact O-N 3.14Å; L79-N87 CarbonylContact O-C 3.6Å; L79-N87 WeakPolarHBondContact O-CA 3.31Å; L79-G88 PolarHBondContact O-N 3.09Å; L79-A89 HydrophobicContact CB-CB 4.28Å; L79-A89 WeakPolarHBondContact CD1-O 3.49Å; L79-A89 PolarHBondContact O-N 2.94Å
80	K	97.4	Very high	95.7	Very high	127 Å²	127	65.5 Å²	65.5	55%	0.552	31%	0.314	S	S	*	.	B	Isolated β-bridge	trans	-91.9	123.5	-179.6	-165.5	173.5	-171	174.8	0	110.8	T82 K85 S101	K80-T82 PolarHBondContact O-N 3.5Å; K80-K85 WeakPolarHBondContact CE-O 3.4Å; K80-K85 WeakPolarHBondContact CG-O 3.12Å; K80-S101 PolarHBondContact O-OG 3.02Å
81	C	97.6	Very high	95.9	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-62.2	126.1	177.3	-179.8	0	0	0	0	110.5	V83 C84 K85 K86 A89 H103	C81-V83 PolarHBondContact O-N 3.39Å; C81-C84 VanDerWaalsContact CB-SG 3.5Å; C81-K85 WeakPolarHBondContact O-CA 3.18Å; C81-K85 PolarHBondContact O-N 2.96Å; C81-K86 VanDerWaalsContact CB-O 3.26Å; C81-K86 WeakPolarHBondContact CB-O 3.41Å; C81-K86 PolarHBondContact N-O 2.85Å; C81-A89 HydrophobicContact CB-CB 3.89Å; C81-H103 WeakPolarHBondContact CB-ND1 3.38Å; C81-H103 PolarHBondContact SG-ND1 2.86Å
82	T	96.6	Very high	96	Very high	38 Å²	38	55.2 Å²	55.2	23%	0.233	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-19	-178.2	50.2	0	0	0	0	113.7	K80 K85 R100 S101	K80-T82 PolarHBondContact O-N 3.5Å; T82-K85 PolarHBondContact O-NZ 3.21Å; T82-R100 HydrophobicContact CG2-CB 4.05Å; T82-R100 HydrophobicContact CG2-CG 4.11Å; T82-S101 PolarHBondContact N-O 2.81Å; T82-S101 PolarHBondContact OG1-O 2.97Å
83	V	95.8	Very high	96	Very high	32 Å²	32	55.7 Å²	55.7	19%	0.194	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-66.6	179.4	-174.2	0	0	0	0	111.1	C81 C106 K110 W125	C81-V83 PolarHBondContact O-N 3.39Å; V83-C106 HydrophobicContact CB-CB 3.88Å; V83-C106 HydrophobicContact CG1-CB 4.21Å; V83-C106 HydrophobicContact CG2-CB 4.14Å; V83-K110 HydrophobicContact CB-CG 4.25Å; V83-K110 HydrophobicContact CG1-CD 4.46Å; V83-K110 HydrophobicContact CG1-CG 3.57Å; V83-K110 HydrophobicContact CG2-CB 4.2Å; V83-K110 HydrophobicContact CG2-CG 3.64Å; V83-W125 HydrophobicContact CG2-CH2 3.92Å; V83-W125 HydrophobicContact CG2-CZ3 3.63Å
84	C	95.9	Very high	96	Very high	49 Å²	49	58.6 Å²	58.6	33%	0.331	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-5.1	-174.3	72.7	0	0	0	0	114.3	C81 K86 H103	C81-C84 VanDerWaalsContact CB-SG 3.5Å; C84-K86 PolarHBondContact O-N 3.33Å; C84-H103 VanDerWaalsContact SG-CE1 3.57Å; C84-H103 PolarHBondContact SG-ND1 3.07Å
85	K	96.3	Very high	96	Very high	129 Å²	129	55.8 Å²	55.8	56%	0.561	29%	0.287	S	S	*	.			trans	61.9	8	-178.8	-49.4	-54.2	-173.2	-170.8	0	115.6	K80 C81 T82	K80-K85 WeakPolarHBondContact CE-O 3.4Å; K80-K85 WeakPolarHBondContact CG-O 3.12Å; C81-K85 WeakPolarHBondContact O-CA 3.18Å; C81-K85 PolarHBondContact O-N 2.96Å; T82-K85 PolarHBondContact O-NZ 3.21Å
86	K	96.2	Very high	95.8	Very high	151 Å²	151	57.9 Å²	57.9	66%	0.657	31%	0.312	S	S	*	.			trans	-88.6	155.5	173.5	-59.9	-177.9	-179.4	-179	0	111.4	C81 C84	C81-K86 VanDerWaalsContact CB-O 3.26Å; C81-K86 WeakPolarHBondContact CB-O 3.41Å; C81-K86 PolarHBondContact N-O 2.85Å; C84-K86 PolarHBondContact O-N 3.33Å
87	N	96.1	Very high	95.7	Very high	99 Å²	99	66.6 Å²	66.6	53%	0.529	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-72.7	166.7	175.5	-73.9	-4.5	0	0	0	112.3	S77 L79 H103	S77-N87 WeakPolarHBondContact O-CB 3.15Å; S77-N87 PolarHBondContact O-ND2 3.26Å; L79-N87 CarbonylContact O-C 3.6Å; L79-N87 WeakPolarHBondContact O-CA 3.31Å; N87-H103 PolarHBondContact O-NE2 3.39Å; N87-H103 VanDerWaalsContact O-NE2 3.15Å
88	G	94.7	Very high	95.8	Very high	10 Å²	10	64.9 Å²	64.9	10%	0.103	34%	0.34	C	S	.	.			trans	98.9	16	179.9	0	0	0	0	0	114.3	A76 L79 S90 H103	A76-G88 CarbonylContact O-C 3.42Å; A76-G88 WeakPolarHBondContact O-CA 3.41Å; A76-G88 PolarHBondContact O-N 3.09Å; L79-G88 PolarHBondContact O-N 3.09Å; G88-S90 PolarHBondContact O-N 3.48Å; G88-H103 PolarHBondContact O-CD2 3.27Å; G88-H103 PolarHBondContact O-NE2 2.94Å
89	A	95.6	Very high	95.7	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.345	C	S	.	.			trans	-76.9	87.1	-176.6	0	0	0	0	0	111.7	A76 L79 C81 I91	A76-A89 PolarHBondContact O-N 2.82Å; L79-A89 HydrophobicContact CB-CB 4.28Å; L79-A89 WeakPolarHBondContact CD1-O 3.49Å; L79-A89 PolarHBondContact O-N 2.94Å; C81-A89 HydrophobicContact CB-CB 3.89Å; A89-I91 PolarHBondContact O-N 2.98Å
90	S	95.8	Very high	95.8	Very high	3 Å²	3	66.5 Å²	66.5	2%	0.021	34%	0.343	C	S	.	.			trans	-74.7	-20.7	-174.5	60.7	0	0	0	0	114.5	S48 S49 R75 G88	S48-S90 VanDerWaalsContact OG-CB 3.24Å; S48-S90 WeakPolarHBondContact OG-CB 3.33Å; S48-S90 PolarHBondContact OG-OG 2.85Å; S49-S90 PolarHBondContact N-O 3.45Å; S49-S90 PolarHBondContact OG-O 3Å; R75-S90 PolarHBondContact NH2-O 2.93Å; G88-S90 PolarHBondContact O-N 3.48Å
91	I	97.2	Very high	95.8	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	125.5	-175.1	-47.2	176.3	0	0	0	110.2	M47 A89 S101 Y102 L104 F114 S122	M47-I91 HydrophobicContact CB-CD1 3.54Å; M47-I91 HydrophobicContact CB-CG1 4.1Å; M47-I91 WeakPolarHBondContact O-CG1 3.34Å; A89-I91 PolarHBondContact O-N 2.98Å; I91-S101 CarbonylContact O-C 3.54Å; I91-S101 WeakPolarHBondContact O-CA 3.45Å; I91-S101 WeakPolarHBondContact O-CB 3.3Å; I91-Y102 HydrophobicContact CB-CD2 4.38Å; I91-Y102 HydrophobicContact CB-CE2 4.34Å; I91-Y102 WeakPolarHBondContact CB-O 3.32Å; I91-Y102 HydrophobicContact CG2-CE2 4.03Å; I91-Y102 PolarHBondContact N-O 2.88Å; I91-Y102 PolarHBondContact O-N 3.29Å; I91-L104 HydrophobicContact CD1-CB 3.69Å; I91-L104 HydrophobicContact CD1-CD1 3.82Å; I91-L104 HydrophobicContact CD1-CG 4.4Å; I91-F114 HydrophobicContact CD1-CD1 4.38Å; I91-F114 HydrophobicContact CD1-CE1 3.76Å; I91-F114 HydrophobicContact CG2-CD1 4.38Å; I91-F114 HydrophobicContact CG2-CE1 3.97Å; I91-S122 WeakPolarHBondContact CG2-OG 3.49Å
92	G	96.2	Very high	95.8	Very high	23 Å²	23	61.1 Å²	61.1	24%	0.237	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	153.9	174.8	0	0	0	0	0	113	S49 S122	S49-G92 PolarHBondContact OG-N 2.87Å; G92-S122 WeakPolarHBondContact O-CB 3.25Å
93	C	96.8	Very high	95.8	Very high	13 Å²	13	59.7 Å²	59.7	9%	0.088	31%	0.312	C	S	.	.			trans	-68.5	133.3	168.5	-173.8	0	0	0	0	110.5	V95 C98 R100 S122 C124	C93-V95 VanDerWaalsContact C-N 3.26Å; C93-V95 PolarHBondContact O-N 2.88Å; C93-C98 HydrophobicContact CB-CB 3.84Å; C93-C98 VanDerWaalsContact CB-SG 3.52Å; C93-C98 VanDerWaalsContact SG-SG 3.7Å; C93-R100 PolarHBondContact N-O 3.39Å; C93-S122 CarbonylContact C-O 3.51Å; C93-S122 VanDerWaalsContact CA-O 3.28Å; C93-S122 WeakPolarHBondContact CA-O 3.43Å; C93-C124 HydrophobicContact CB-CB 4.12Å; C93-C124 PolarHBondContact SG-N 2.95Å; C93-C124 VanDerWaalsContact SG-N 3.44Å
94	V	95.6	Very high	95.8	Very high	75 Å²	75	58.4 Å²	58.4	46%	0.455	30%	0.304	S	S	.	.	S	Bend	trans	-68.7	-20.7	-177.3	71.6	0	0	0	0	113.9	P96 A121 S122 F123	V94-P96 WeakPolarHBondContact O-CD 3.13Å; V94-A121 HydrophobicContact CB-CB 4.31Å; V94-A121 HydrophobicContact CG1-CB 4.2Å; V94-A121 HydrophobicContact CG2-CB 4.19Å; V94-S122 PolarHBondContact N-O 3.12Å; V94-F123 HydrophobicContact CG1-CD1 3.7Å; V94-F123 HydrophobicContact CG1-CD2 4.48Å; V94-F123 HydrophobicContact CG1-CE1 3.35Å; V94-F123 HydrophobicContact CG1-CE2 4.17Å; V94-F123 HydrophobicContact CG1-CG 4.27Å; V94-F123 HydrophobicContact CG1-CZ 3.61Å
95	V	95.2	Very high	95.7	Very high	44 Å²	44	56.5 Å²	56.5	27%	0.267	29%	0.291	S	S	.	.	S	Bend	trans	-65.5	120.3	179.2	174.3	0	0	0	0	109.3	C93 Q97 C98 H127	C93-V95 VanDerWaalsContact C-N 3.26Å; C93-V95 PolarHBondContact O-N 2.88Å; V95-Q97 VanDerWaalsContact C-N 3.26Å; V95-Q97 PolarHBondContact O-N 2.94Å; V95-C98 HydrophobicContact CB-CB 3.94Å; V95-C98 HydrophobicContact CG1-CB 4.28Å; V95-C98 WeakPolarHBondContact O-CA 3.46Å; V95-C98 VanDerWaalsContact O-CB 3.23Å; V95-C98 WeakPolarHBondContact O-CB 3.37Å; V95-C98 PolarHBondContact O-N 3.33Å; V95-H127 HydrophobicContact CG2-CB 3.7Å
96	P	91.3	Very high	95.7	Very high	133 Å²	133	51 Å²	51	86%	0.864	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-33.8	-169.2	-30.5	35.8	0	0	0	115.5	V94 C98	V94-P96 WeakPolarHBondContact O-CD 3.13Å; P96-C98 VanDerWaalsContact C-N 3.32Å
97	Q	94.1	Very high	95.6	Very high	186 Å²	186	43.8 Å²	43.8	87%	0.869	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-8.2	179.6	-59.2	-177	12.1	0	0	113.3	V95 K99	V95-Q97 VanDerWaalsContact C-N 3.26Å; V95-Q97 PolarHBondContact O-N 2.94Å; Q97-K99 PolarHBondContact O-N 2.89Å
98	C	96.2	Very high	95.4	Very high	15 Å²	15	41.2 Å²	41.2	10%	0.101	22%	0.223	C	C	.	.			trans	-90.2	107.8	-176.2	-166.6	0	0	0	0	111.5	C93 V95 P96 R100 H127	C93-C98 HydrophobicContact CB-CB 3.84Å; C93-C98 VanDerWaalsContact CB-SG 3.52Å; C93-C98 VanDerWaalsContact SG-SG 3.7Å; V95-C98 HydrophobicContact CB-CB 3.94Å; V95-C98 HydrophobicContact CG1-CB 4.28Å; V95-C98 WeakPolarHBondContact O-CA 3.46Å; V95-C98 VanDerWaalsContact O-CB 3.23Å; V95-C98 WeakPolarHBondContact O-CB 3.37Å; V95-C98 PolarHBondContact O-N 3.33Å; P96-C98 VanDerWaalsContact C-N 3.32Å; C98-R100 PolarHBondContact O-N 2.93Å; C98-H127 VanDerWaalsContact CB-CE1 3.48Å; C98-H127 WeakPolarHBondContact CB-CE1 3.28Å; C98-H127 VanDerWaalsContact SG-CE1 3.54Å; C98-H127 PolarHBondContact SG-ND1 3.32Å
99	K	94.6	Very high	95.3	Very high	204 Å²	204	47.9 Å²	47.9	89%	0.887	25%	0.251	S	S	*	.			trans	-83.9	13.4	177.2	-57.5	-176.1	-178.8	-179.7	0	114	Q97 S101	Q97-K99 PolarHBondContact O-N 2.89Å; K99-S101 PolarHBondContact O-N 2.85Å
100	R	97.1	Very high	95.3	Very high	65 Å²	65	52.9 Å²	52.9	25%	0.245	27%	0.273	C	S	.	.			trans	-77.1	121.5	-177.8	-63.9	-170.6	-177.2	82.3	12	110.1	T82 C93 C98 C124	T82-R100 HydrophobicContact CG2-CB 4.05Å; T82-R100 HydrophobicContact CG2-CG 4.11Å; C93-R100 PolarHBondContact N-O 3.39Å; C98-R100 PolarHBondContact O-N 2.93Å; R100-C124 HydrophobicContact CB-CB 4.35Å
101	S	97	Very high	95.3	Very high	14 Å²	14	56 Å²	56	10%	0.098	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	153.9	164.5	59.4	0	0	0	0	111	K80 T82 I91 K99	K80-S101 PolarHBondContact O-OG 3.02Å; T82-S101 PolarHBondContact N-O 2.81Å; T82-S101 PolarHBondContact OG1-O 2.97Å; I91-S101 CarbonylContact O-C 3.54Å; I91-S101 WeakPolarHBondContact O-CA 3.45Å; I91-S101 WeakPolarHBondContact O-CB 3.3Å; K99-S101 PolarHBondContact O-N 2.85Å
102	Y	97.4	Very high	95.3	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	160.6	179.9	39.4	-91	0	0	0	111.6	I91 C112 F114 F123 C124	I91-Y102 HydrophobicContact CB-CD2 4.38Å; I91-Y102 HydrophobicContact CB-CE2 4.34Å; I91-Y102 WeakPolarHBondContact CB-O 3.32Å; I91-Y102 HydrophobicContact CG2-CE2 4.03Å; I91-Y102 PolarHBondContact N-O 2.88Å; I91-Y102 PolarHBondContact O-N 3.29Å; Y102-C112 HydrophobicContact CE2-CB 4.03Å; Y102-F114 HydrophobicContact CD2-CE1 4.27Å; Y102-F114 HydrophobicContact CD2-CZ 4.14Å; Y102-F114 AromaticContact CE2-CE1 3.58Å; Y102-F114 HydrophobicContact CE2-CE1 3.58Å; Y102-F114 AromaticContact CE2-CZ 3.66Å; Y102-F114 HydrophobicContact CE2-CZ 3.66Å; Y102-F123 VanDerWaalsContact OH-C 3.22Å; Y102-F123 PolarHBondContact OH-O 2.85Å; Y102-C124 HydrophobicContact CE1-CB 3.92Å; Y102-C124 PolarHBondContact OH-N 3.2Å
103	H	96.8	Very high	95.3	Very high	9 Å²	9	55 Å²	55	4%	0.042	28%	0.277	C	S	.	.			trans	-74.8	153.5	163.9	-50.8	102.2	0	0	0	109.5	F16 C17 C81 C84 N87 G88 C106 G107	F16-H103 PolarHBondContact O-CD2 3.13Å; C17-H103 HydrophobicContact CB-CB 4.44Å; C81-H103 WeakPolarHBondContact CB-ND1 3.38Å; C81-H103 PolarHBondContact SG-ND1 2.86Å; C84-H103 VanDerWaalsContact SG-CE1 3.57Å; C84-H103 PolarHBondContact SG-ND1 3.07Å; N87-H103 PolarHBondContact O-NE2 3.39Å; N87-H103 VanDerWaalsContact O-NE2 3.15Å; G88-H103 PolarHBondContact O-CD2 3.27Å; G88-H103 PolarHBondContact O-NE2 2.94Å; H103-C106 HydrophobicContact CB-CB 4.15Å; H103-C106 WeakPolarHBondContact O-CB 3.29Å; H103-C106 PolarHBondContact O-N 3.19Å; H103-C106 VanDerWaalsContact O-N 3.16Å; H103-G107 PolarHBondContact O-N 3.11Å
104	L	95.1	Very high	95.2	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.021	27%	0.274	C	S	.	.	H	α-helix	trans	-52.2	-50.9	176.1	-174.7	81.3	0	0	0	112.4	Y27 M47 I91 C106 G107 L108 F114	Y27-L104 HydrophobicContact CD1-CD2 4.33Å; M47-L104 HydrophobicContact CB-CD1 4.34Å; M47-L104 HydrophobicContact CG-CD1 4.12Å; I91-L104 HydrophobicContact CD1-CB 3.69Å; I91-L104 HydrophobicContact CD1-CD1 3.82Å; I91-L104 HydrophobicContact CD1-CG 4.4Å; L104-C106 VanDerWaalsContact C-N 3.3Å; L104-C106 PolarHBondContact O-N 3.3Å; L104-G107 PolarHBondContact O-N 3.34Å; L104-G107 VanDerWaalsContact O-N 3.12Å; L104-L108 HydrophobicContact CG-CD1 4.29Å; L104-L108 WeakPolarHBondContact O-CG 3.2Å; L104-L108 PolarHBondContact O-N 3.45Å; L104-F114 HydrophobicContact CD1-CD1 3.77Å; L104-F114 HydrophobicContact CD1-CD2 4.08Å; L104-F114 HydrophobicContact CD1-CE1 3.59Å; L104-F114 HydrophobicContact CD1-CE2 3.94Å; L104-F114 HydrophobicContact CD1-CG 4.01Å; L104-F114 HydrophobicContact CD1-CZ 3.68Å
105	P	94.3	Very high	95.2	Very high	9 Å²	9	52.7 Å²	52.7	6%	0.058	26%	0.26	C	S	.	.	H	α-helix	trans	-64.8	-34.3	-179	-21.1	35	0	0	0	113	C17 K19 Y27 Q109	C17-P105 HydrophobicContact CB-CG 3.79Å; K19-P105 HydrophobicContact CD-CB 3.87Å; K19-P105 HydrophobicContact CD-CG 3.84Å; Y27-P105 HydrophobicContact CD1-CB 4.46Å; Y27-P105 HydrophobicContact CD1-CG 4.07Å; Y27-P105 HydrophobicContact CE1-CB 3.65Å; Y27-P105 HydrophobicContact CE1-CG 3.73Å; P105-Q109 WeakPolarHBondContact O-CB 3.17Å; P105-Q109 PolarHBondContact O-N 3.4Å
106	C	95.8	Very high	94.8	Very high	14 Å²	14	51.6 Å²	51.6	10%	0.095	25%	0.251	C	S	.	.	H	α-helix	trans	-67	-39.1	175.7	-73.2	0	0	0	0	111.7	V83 H103 L104 K110	V83-C106 HydrophobicContact CB-CB 3.88Å; V83-C106 HydrophobicContact CG1-CB 4.21Å; V83-C106 HydrophobicContact CG2-CB 4.14Å; H103-C106 HydrophobicContact CB-CB 4.15Å; H103-C106 WeakPolarHBondContact O-CB 3.29Å; H103-C106 PolarHBondContact O-N 3.19Å; H103-C106 VanDerWaalsContact O-N 3.16Å; L104-C106 VanDerWaalsContact C-N 3.3Å; L104-C106 PolarHBondContact O-N 3.3Å; C106-K110 PolarHBondContact O-N 3.37Å; C106-K110 VanDerWaalsContact O-N 3.09Å
107	G	95.5	Very high	94.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-66.6	-45.3	175.8	0	0	0	0	0	111.6	H103 L104 Q109 K110 E111 C112	H103-G107 PolarHBondContact O-N 3.11Å; L104-G107 PolarHBondContact O-N 3.34Å; L104-G107 VanDerWaalsContact O-N 3.12Å; G107-Q109 PolarHBondContact O-N 3.35Å; G107-K110 CarbonylContact O-C 3.58Å; G107-K110 VanDerWaalsContact O-C 3.26Å; G107-K110 WeakPolarHBondContact O-CA 3.42Å; G107-K110 PolarHBondContact O-N 3.17Å; G107-K110 VanDerWaalsContact O-N 3.09Å; G107-E111 PolarHBondContact O-N 3.16Å; G107-C112 VanDerWaalsContact CA-SG 3.56Å; G107-C112 WeakPolarHBondContact O-CB 3.44Å; G107-C112 PolarHBondContact O-N 3.32Å; G107-C112 PolarHBondContact O-SG 2.99Å
108	L	91.9	Very high	94.1	Very high	44 Å²	44	42.1 Å²	42.1	23%	0.23	22%	0.217	C	C	.	.	H	α-helix	trans	-58.9	-44.7	174.6	-68.1	171.8	0	0	0	111.8	K26 Y27 L104 K110 E111 F114	K26-L108 WeakPolarHBondContact O-CD1 3.07Å; Y27-L108 HydrophobicContact CD1-CD1 4.02Å; Y27-L108 HydrophobicContact CE1-CD1 3.94Å; L104-L108 HydrophobicContact CG-CD1 4.29Å; L104-L108 WeakPolarHBondContact O-CG 3.2Å; L104-L108 PolarHBondContact O-N 3.45Å; L108-K110 PolarHBondContact O-N 3.32Å; L108-E111 PolarHBondContact O-N 3.04Å; L108-F114 HydrophobicContact CD2-CD2 3.98Å; L108-F114 HydrophobicContact CD2-CE2 3.77Å; L108-F114 HydrophobicContact CG-CE2 3.95Å
109	Q	92.9	Very high	93.5	Very high	150 Å²	150	47.8 Å²	47.8	70%	0.701	25%	0.246	S	C	*	.	H	α-helix	trans	-60.8	-32	175.4	-173.9	-175.1	13.9	0	0	112.9	P105 G107 E111	P105-Q109 WeakPolarHBondContact O-CB 3.17Å; P105-Q109 PolarHBondContact O-N 3.4Å; G107-Q109 PolarHBondContact O-N 3.35Å; Q109-E111 VanDerWaalsContact C-N 3.33Å
110	K	95.4	Very high	93.2	Very high	106 Å²	106	39 Å²	39	46%	0.461	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	14.9	174.4	-75.3	-63.4	-173.9	-172.4	0	113	V83 C106 G107 L108 C112 W125	V83-K110 HydrophobicContact CB-CG 4.25Å; V83-K110 HydrophobicContact CG1-CD 4.46Å; V83-K110 HydrophobicContact CG1-CG 3.57Å; V83-K110 HydrophobicContact CG2-CB 4.2Å; V83-K110 HydrophobicContact CG2-CG 3.64Å; C106-K110 PolarHBondContact O-N 3.37Å; C106-K110 VanDerWaalsContact O-N 3.09Å; G107-K110 CarbonylContact O-C 3.58Å; G107-K110 VanDerWaalsContact O-C 3.26Å; G107-K110 WeakPolarHBondContact O-CA 3.42Å; G107-K110 PolarHBondContact O-N 3.17Å; G107-K110 VanDerWaalsContact O-N 3.09Å; L108-K110 PolarHBondContact O-N 3.32Å; K110-C112 VanDerWaalsContact C-N 3.27Å; K110-C112 PolarHBondContact O-N 2.98Å; K110-W125 HydrophobicContact CB-CD2 4.22Å; K110-W125 HydrophobicContact CB-CE3 3.62Å; K110-W125 HydrophobicContact CB-CZ3 4.05Å; K110-W125 HydrophobicContact CG-CE3 4.27Å; K110-W125 HydrophobicContact CG-CZ3 4.32Å; K110-W125 WeakPolarHBondContact O-CB 3.36Å
111	E	95.3	Very high	93	Very high	67 Å²	67	36.7 Å²	36.7	31%	0.313	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	39.1	176.5	-54.7	176.2	166.6	0	0	113.2	G107 L108 Q109 R128 Y157	G107-E111 PolarHBondContact O-N 3.16Å; L108-E111 PolarHBondContact O-N 3.04Å; Q109-E111 VanDerWaalsContact C-N 3.33Å; E111-R128 WeakPolarHBondContact O-CD 3.18Å; E111-R128 PolarHBondContact O-NH1 3.06Å; E111-R128 IonicContact OE2-CZ 3.24Å; E111-R128 VanDerWaalsContact OE2-CZ 3.3Å; E111-R128 IonicContact OE2-NH1 3.63Å; E111-R128 PolarHBondContact OE2-NH1 3Å; E111-R128 IonicContact OE2-NH2 3.76Å; E111-R128 PolarHBondContact OE2-NH2 3.34Å; E111-Y157 HydrophobicContact CB-CD1 3.87Å; E111-Y157 HydrophobicContact CB-CD2 3.65Å; E111-Y157 HydrophobicContact CB-CE1 4.34Å; E111-Y157 HydrophobicContact CB-CE2 4.14Å; E111-Y157 HydrophobicContact CB-CG 3.5Å; E111-Y157 HydrophobicContact CG-CD1 3.62Å; E111-Y157 HydrophobicContact CG-CD2 4.32Å; E111-Y157 HydrophobicContact CG-CE1 4.23Å; E111-Y157 HydrophobicContact CG-CG 3.68Å
112	C	96.4	Very high	93	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.007	20%	0.199	C	C	.	.			trans	-67.7	153	165.6	-66.3	0	0	0	0	110.1	Y102 G107 K110 F114 F123	Y102-C112 HydrophobicContact CE2-CB 4.03Å; G107-C112 VanDerWaalsContact CA-SG 3.56Å; G107-C112 WeakPolarHBondContact O-CB 3.44Å; G107-C112 PolarHBondContact O-N 3.32Å; G107-C112 PolarHBondContact O-SG 2.99Å; K110-C112 VanDerWaalsContact C-N 3.27Å; K110-C112 PolarHBondContact O-N 2.98Å; C112-F114 HydrophobicContact CB-CE2 3.91Å; C112-F114 HydrophobicContact CB-CZ 3.98Å; C112-F123 WeakPolarHBondContact CA-O 3.24Å; C112-F123 VanDerWaalsContact CB-O 3.22Å; C112-F123 WeakPolarHBondContact CB-O 3.48Å
113	I	96.7	Very high	93	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	130.2	174.6	-73.6	-177.1	0	0	0	109.2	Q115 F123 R128 P129 Y157 M205	I113-Q115 HydrophobicContact CG2-CG 4.26Å; I113-F123 HydrophobicContact CG2-CD2 4.44Å; I113-F123 PolarHBondContact N-O 3.31Å; I113-F123 VanDerWaalsContact N-O 3.07Å; I113-F123 PolarHBondContact O-N 3.36Å; I113-R128 HydrophobicContact CB-CB 4.19Å; I113-R128 HydrophobicContact CD1-CB 3.97Å; I113-R128 HydrophobicContact CD1-CG 4.49Å; I113-R128 HydrophobicContact CG1-CB 4Å; I113-P129 HydrophobicContact CD1-CG 3.75Å; I113-P129 HydrophobicContact CG2-CG 4.04Å; I113-Y157 HydrophobicContact CG1-CE2 4.45Å; I113-M205 HydrophobicContact CD1-CE 4.03Å
114	F	95.5	Very high	93	Very high	8 Å²	8	37.5 Å²	37.5	4%	0.035	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	116.2	177	-55.4	-90.3	0	0	0	107.7	M47 I91 Y102 L104 L108 C112 F116 S122 G206	M47-F114 HydrophobicContact CB-CD1 4.39Å; M47-F114 HydrophobicContact CE-CB 4.14Å; M47-F114 HydrophobicContact CG-CB 4.41Å; M47-F114 HydrophobicContact CG-CD1 4.17Å; M47-F114 HydrophobicContact SD-CB 3.99Å; M47-F114 HydrophobicContact SD-CD1 4.38Å; I91-F114 HydrophobicContact CD1-CD1 4.38Å; I91-F114 HydrophobicContact CD1-CE1 3.76Å; I91-F114 HydrophobicContact CG2-CD1 4.38Å; I91-F114 HydrophobicContact CG2-CE1 3.97Å; Y102-F114 HydrophobicContact CD2-CE1 4.27Å; Y102-F114 HydrophobicContact CD2-CZ 4.14Å; Y102-F114 AromaticContact CE2-CE1 3.58Å; Y102-F114 HydrophobicContact CE2-CE1 3.58Å; Y102-F114 AromaticContact CE2-CZ 3.66Å; Y102-F114 HydrophobicContact CE2-CZ 3.66Å; L104-F114 HydrophobicContact CD1-CD1 3.77Å; L104-F114 HydrophobicContact CD1-CD2 4.08Å; L104-F114 HydrophobicContact CD1-CE1 3.59Å; L104-F114 HydrophobicContact CD1-CE2 3.94Å; L104-F114 HydrophobicContact CD1-CG 4.01Å; L104-F114 HydrophobicContact CD1-CZ 3.68Å; L108-F114 HydrophobicContact CD2-CD2 3.98Å; L108-F114 HydrophobicContact CD2-CE2 3.77Å; L108-F114 HydrophobicContact CG-CE2 3.95Å; C112-F114 HydrophobicContact CB-CE2 3.91Å; C112-F114 HydrophobicContact CB-CZ 3.98Å; F114-F116 HydrophobicContact CB-CE2 4.2Å; F114-F116 WeakPolarHBondContact O-CD2 3.21Å; F114-S122 WeakPolarHBondContact CD1-OG 3.46Å; F114-G206 VanDerWaalsContact O-CA 3.24Å; F114-G206 WeakPolarHBondContact O-CA 3.39Å
115	Q	94.5	Very high	93	Very high	32 Å²	32	40.8 Å²	40.8	15%	0.15	22%	0.217	C	C	.	.			trans	-91.6	120.9	178.8	-65.8	-179.1	-22.5	0	0	108.9	I113 T117 F120 A121 F123 R204	I113-Q115 HydrophobicContact CG2-CG 4.26Å; Q115-T117 PolarHBondContact O-N 3.37Å; Q115-F120 CarbonylContact O-C 3.2Å; Q115-F120 VanDerWaalsContact O-CA 3.28Å; Q115-F120 WeakPolarHBondContact O-CA 3.22Å; Q115-A121 WeakPolarHBondContact CB-O 3.34Å; Q115-A121 PolarHBondContact N-O 3.08Å; Q115-F123 HydrophobicContact CG-CE2 4.21Å; Q115-R204 PolarHBondContact NE2-O 3.02Å
116	F	87.9	Confident	93.1	Very high	20 Å²	20	47 Å²	47	9%	0.088	24%	0.243	C	C	.	.			trans	-86.2	26.6	-178.7	-67.1	-100.6	0	0	0	112.6	Y43 L46 M47 F114 H208	Y43-F116 HydrophobicContact CD1-CD1 4.49Å; Y43-F116 AromaticContact CD1-CE1 3.57Å; Y43-F116 HydrophobicContact CD1-CE1 3.57Å; Y43-F116 HydrophobicContact CD1-CZ 4.31Å; Y43-F116 HydrophobicContact CD2-CE1 4.08Å; Y43-F116 AromaticContact CD2-CZ 3.98Å; Y43-F116 HydrophobicContact CD2-CZ 3.98Å; Y43-F116 AromaticContact CE1-CE1 3.85Å; Y43-F116 HydrophobicContact CE1-CE1 3.85Å; Y43-F116 HydrophobicContact CE2-CE1 4.36Å; Y43-F116 HydrophobicContact CE2-CZ 4.29Å; Y43-F116 AromaticContact CG-CE1 3.71Å; Y43-F116 HydrophobicContact CG-CE1 3.71Å; Y43-F116 HydrophobicContact CG-CZ 4.03Å; L46-F116 HydrophobicContact CD2-CD1 3.96Å; L46-F116 HydrophobicContact CD2-CE1 4.35Å; M47-F116 HydrophobicContact CE-CB 4.18Å; M47-F116 HydrophobicContact CE-CD1 3.11Å; M47-F116 HydrophobicContact CE-CD2 3.71Å; M47-F116 HydrophobicContact CE-CE1 3.19Å; M47-F116 HydrophobicContact CE-CE2 3.79Å; M47-F116 HydrophobicContact CE-CG 3.38Å; M47-F116 HydrophobicContact CE-CZ 3.55Å; F114-F116 HydrophobicContact CB-CE2 4.2Å; F114-F116 WeakPolarHBondContact O-CD2 3.21Å; F116-H208 VanDerWaalsContact CB-CD2 3.48Å; F116-H208 WeakPolarHBondContact CB-CD2 3.43Å; F116-H208 HydrophobicContact CD1-CB 4.19Å; F116-H208 AromaticContact CD1-CD2 3.43Å; F116-H208 VanDerWaalsContact CD1-CD2 3.43Å; F116-H208 WeakPolarHBondContact CD1-CD2 3.3Å; F116-H208 AromaticContact CD1-CG 3.81Å; F116-H208 AromaticContact CD1-NE2 3.99Å; F116-H208 HydrophobicContact CD2-CB 3.62Å; F116-H208 HydrophobicContact CE1-CB 4.32Å; F116-H208 HydrophobicContact CE2-CB 3.77Å; F116-H208 HydrophobicContact CG-CB 3.86Å; F116-H208 AromaticContact CG-CD2 3.41Å; F116-H208 VanDerWaalsContact CG-CD2 3.41Å; F116-H208 WeakPolarHBondContact CG-CD2 3.39Å; F116-H208 AromaticContact CG-CG 3.82Å; F116-H208 HydrophobicContact CZ-CB 4.11Å
117	T	84.4	Confident	93.1	Very high	56 Å²	56	49.6 Å²	49.6	34%	0.344	25%	0.254	S	S	.	.	S	Bend	trans	-137.9	158.8	-174.5	54.7	0	0	0	0	111.5	Q115 N119 F120 L203	Q115-T117 PolarHBondContact O-N 3.37Å; T117-N119 PolarHBondContact O-N 3.43Å; T117-F120 PolarHBondContact O-N 3.28Å; T117-F120 VanDerWaalsContact O-N 3.16Å; T117-L203 HydrophobicContact CG2-CB 4.43Å; T117-L203 HydrophobicContact CG2-CD1 3.97Å; T117-L203 HydrophobicContact CG2-CD2 3.59Å; T117-L203 HydrophobicContact CG2-CG 4.18Å
118	G	84.7	Confident	93.1	Very high	65 Å²	65	52.7 Å²	52.7	67%	0.67	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	-120.1	-179	0	0	0	0	0	111.8	F120	G118-F120 VanDerWaalsContact C-N 3.27Å; G118-F120 PolarHBondContact O-N 3.37Å
119	N	84	Confident	93.3	Very high	134 Å²	134	51.5 Å²	51.5	72%	0.717	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	11.7	-175.6	-67.2	-27.8	0	0	0	114.8	T117 R324	T117-N119 PolarHBondContact O-N 3.43Å; N119-R324 PolarHBondContact O-NH2 3.41Å
120	F	88.9	Confident	93.2	Very high	18 Å²	18	48.6 Å²	48.6	8%	0.079	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	47.9	-176.2	-62.9	-87.3	0	0	0	113.2	L46 M47 Q115 T117 G118 S122 R324	L46-F120 HydrophobicContact CD1-CD1 4.31Å; L46-F120 HydrophobicContact CD1-CE1 3.71Å; L46-F120 HydrophobicContact CD1-CE2 4.48Å; L46-F120 HydrophobicContact CD1-CZ 3.8Å; L46-F120 HydrophobicContact CD2-CD1 4.38Å; L46-F120 HydrophobicContact CD2-CE1 3.8Å; L46-F120 HydrophobicContact CG-CD1 3.99Å; L46-F120 HydrophobicContact CG-CE1 3.68Å; L46-F120 HydrophobicContact CG-CZ 4.3Å; M47-F120 HydrophobicContact CE-CD1 3.94Å; M47-F120 HydrophobicContact SD-CB 4.28Å; M47-F120 HydrophobicContact SD-CD1 4.29Å; Q115-F120 CarbonylContact O-C 3.2Å; Q115-F120 VanDerWaalsContact O-CA 3.28Å; Q115-F120 WeakPolarHBondContact O-CA 3.22Å; T117-F120 PolarHBondContact O-N 3.28Å; T117-F120 VanDerWaalsContact O-N 3.16Å; G118-F120 VanDerWaalsContact C-N 3.27Å; G118-F120 PolarHBondContact O-N 3.37Å; F120-S122 PolarHBondContact O-N 3.38Å; F120-R324 HydrophobicContact CD2-CB 4.42Å; F120-R324 HydrophobicContact CD2-CG 4.18Å; F120-R324 HydrophobicContact CE2-CB 4.2Å; F120-R324 HydrophobicContact CE2-CG 4.4Å
121	A	93.3	Very high	93	Very high	17 Å²	17	44.8 Å²	44.8	14%	0.14	24%	0.237	C	C	.	.			trans	-62.9	127	-176	0	0	0	0	0	111.6	V94 Q115 F123	V94-A121 HydrophobicContact CB-CB 4.31Å; V94-A121 HydrophobicContact CG1-CB 4.2Å; V94-A121 HydrophobicContact CG2-CB 4.19Å; Q115-A121 WeakPolarHBondContact CB-O 3.34Å; Q115-A121 PolarHBondContact N-O 3.08Å; A121-F123 HydrophobicContact CB-CE2 3.75Å; A121-F123 HydrophobicContact CB-CZ 4.09Å
122	S	96.8	Very high	92.3	Very high	4 Å²	4	47.7 Å²	47.7	3%	0.028	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	131.3	177.5	-69.3	0	0	0	0	110.3	I91 G92 C93 V94 F114 F120	I91-S122 WeakPolarHBondContact CG2-OG 3.49Å; G92-S122 WeakPolarHBondContact O-CB 3.25Å; C93-S122 CarbonylContact C-O 3.51Å; C93-S122 VanDerWaalsContact CA-O 3.28Å; C93-S122 WeakPolarHBondContact CA-O 3.43Å; V94-S122 PolarHBondContact N-O 3.12Å; F114-S122 WeakPolarHBondContact CD1-OG 3.46Å; F120-S122 PolarHBondContact O-N 3.38Å
123	F	97.3	Very high	91.3	Very high	36 Å²	36	51 Å²	51	16%	0.158	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	129.3	-177.3	-60.1	-94.3	0	0	0	110.8	V94 Y102 C112 I113 Q115 A121 H127 R128	V94-F123 HydrophobicContact CG1-CD1 3.7Å; V94-F123 HydrophobicContact CG1-CD2 4.48Å; V94-F123 HydrophobicContact CG1-CE1 3.35Å; V94-F123 HydrophobicContact CG1-CE2 4.17Å; V94-F123 HydrophobicContact CG1-CG 4.27Å; V94-F123 HydrophobicContact CG1-CZ 3.61Å; Y102-F123 VanDerWaalsContact OH-C 3.22Å; Y102-F123 PolarHBondContact OH-O 2.85Å; C112-F123 WeakPolarHBondContact CA-O 3.24Å; C112-F123 VanDerWaalsContact CB-O 3.22Å; C112-F123 WeakPolarHBondContact CB-O 3.48Å; I113-F123 HydrophobicContact CG2-CD2 4.44Å; I113-F123 PolarHBondContact N-O 3.31Å; I113-F123 VanDerWaalsContact N-O 3.07Å; I113-F123 PolarHBondContact O-N 3.36Å; Q115-F123 HydrophobicContact CG-CE2 4.21Å; A121-F123 HydrophobicContact CB-CE2 3.75Å; A121-F123 HydrophobicContact CB-CZ 4.09Å; F123-H127 WeakPolarHBondContact CD1-O 3.49Å; F123-R128 HydrophobicContact CB-CB 4.23Å
124	C	97.3	Very high	89.7	Confident	0 Å²	0	58 Å²	58	0%	0	32%	0.319	C	S	.	.			trans	-69.1	163.4	172.4	76.5	0	0	0	0	110.9	C93 R100 Y102 K126 H127 R128	C93-C124 HydrophobicContact CB-CB 4.12Å; C93-C124 PolarHBondContact SG-N 2.95Å; C93-C124 VanDerWaalsContact SG-N 3.44Å; R100-C124 HydrophobicContact CB-CB 4.35Å; Y102-C124 HydrophobicContact CE1-CB 3.92Å; Y102-C124 PolarHBondContact OH-N 3.2Å; C124-K126 PolarHBondContact O-N 3.22Å; C124-H127 CarbonylContact O-C 3.27Å; C124-H127 PolarHBondContact O-N 2.93Å; C124-R128 PolarHBondContact O-N 3.47Å
125	W	95.1	Very high	87.8	Confident	73 Å²	73	60.9 Å²	60.9	28%	0.277	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-20.5	179.2	60.5	92.4	0	0	0	116	V83 K110	V83-W125 HydrophobicContact CG2-CH2 3.92Å; V83-W125 HydrophobicContact CG2-CZ3 3.63Å; K110-W125 HydrophobicContact CB-CD2 4.22Å; K110-W125 HydrophobicContact CB-CE3 3.62Å; K110-W125 HydrophobicContact CB-CZ3 4.05Å; K110-W125 HydrophobicContact CG-CE3 4.27Å; K110-W125 HydrophobicContact CG-CZ3 4.32Å; K110-W125 WeakPolarHBondContact O-CB 3.36Å
126	K	95.8	Very high	85.8	Confident	140 Å²	140	65.6 Å²	65.6	61%	0.609	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-21.7	173.6	-64.6	-154.8	179.8	-166.4	0	114.8	C124	C124-K126 PolarHBondContact O-N 3.22Å
127	H	96.6	Very high	84.1	Confident	69 Å²	69	71.4 Å²	71.4	32%	0.319	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	5	-174	-61.8	151.2	0	0	0	112.7	V95 C98 F123 C124	V95-H127 HydrophobicContact CG2-CB 3.7Å; C98-H127 VanDerWaalsContact CB-CE1 3.48Å; C98-H127 WeakPolarHBondContact CB-CE1 3.28Å; C98-H127 VanDerWaalsContact SG-CE1 3.54Å; C98-H127 PolarHBondContact SG-ND1 3.32Å; F123-H127 WeakPolarHBondContact CD1-O 3.49Å; C124-H127 CarbonylContact O-C 3.27Å; C124-H127 PolarHBondContact O-N 2.93Å
128	R	94.7	Very high	82.6	Confident	64 Å²	64	76.7 Å²	76.7	24%	0.242	41%	0.406	C	S	.	.			trans	-63	144.1	178.9	71.3	-177.3	176.8	-143.6	7.3	110.4	E111 I113 F123 C124	E111-R128 WeakPolarHBondContact O-CD 3.18Å; E111-R128 PolarHBondContact O-NH1 3.06Å; E111-R128 IonicContact OE2-CZ 3.24Å; E111-R128 VanDerWaalsContact OE2-CZ 3.3Å; E111-R128 IonicContact OE2-NH1 3.63Å; E111-R128 PolarHBondContact OE2-NH1 3Å; E111-R128 IonicContact OE2-NH2 3.76Å; E111-R128 PolarHBondContact OE2-NH2 3.34Å; I113-R128 HydrophobicContact CB-CB 4.19Å; I113-R128 HydrophobicContact CD1-CB 3.97Å; I113-R128 HydrophobicContact CD1-CG 4.49Å; I113-R128 HydrophobicContact CG1-CB 4Å; F123-R128 HydrophobicContact CB-CB 4.23Å; C124-R128 PolarHBondContact O-N 3.47Å
129	P	95.2	Very high	81	Confident	19 Å²	19	84.9 Å²	84.9	12%	0.123	42%	0.417	C	S	.	.			trans	-60.1	148.9	169.8	23.4	-30.8	0	0	0	110.6	I113 R204 M205	I113-P129 HydrophobicContact CD1-CG 3.75Å; I113-P129 HydrophobicContact CG2-CG 4.04Å; P129-R204 HydrophobicContact CB-CG 4.48Å; P129-R204 VanDerWaalsContact CB-NH1 3.31Å; P129-R204 VanDerWaalsContact CG-O 3.3Å; P129-R204 WeakPolarHBondContact CG-O 3.5Å; P129-M205 HydrophobicContact CB-SD 4.15Å; P129-M205 HydrophobicContact CG-SD 4.32Å
130	V	91.9	Very high	79.9	Confident	90 Å²	90	82.9 Å²	82.9	55%	0.545	41%	0.406	S	S	.	.			trans	-128.3	158.7	174.3	-63.7	0	0	0	0	109.3	R204	V130-R204 PolarHBondContact O-NH2 3.19Å
131	Q	90.6	Very high	78.8	Confident	26 Å²	26	87.6 Å²	87.6	12%	0.121	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-95.6	134.5	171.8	-62.5	-173.5	-57.9	0	0	108.9	P155 L161 E201 M205	Q131-P155 HydrophobicContact CB-CB 4.11Å; Q131-L161 PolarHBondContact NE2-O 3.32Å; Q131-E201 WeakPolarHBondContact CG-OE1 3.39Å; Q131-E201 PolarHBondContact NE2-OE1 3.44Å; Q131-M205 HydrophobicContact CG-CE 4.04Å; Q131-M205 HydrophobicContact CG-CG 4.27Å; Q131-M205 HydrophobicContact CG-SD 3.93Å
132	V	81.1	Confident	78.2	Confident	127 Å²	127	88.2 Å²	88.2	77%	0.77	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-102	128.5	-179.3	-177.1	0	0	0	0	108.6
133	I	75.6	Confident	77.8	Confident	70 Å²	70	92.1 Å²	92.1	36%	0.359	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-98.8	136.6	174.4	-69.4	174.7	0	0	0	110.1	S135 P155 L161 W169	I133-S135 WeakPolarHBondContact CG2-O 3.39Å; I133-P155 HydrophobicContact CD1-CG 3.18Å; I133-P155 HydrophobicContact CG1-CG 3.61Å; I133-L161 HydrophobicContact CG1-CD2 4.3Å; I133-W169 HydrophobicContact CD1-CH2 3.51Å; I133-W169 HydrophobicContact CD1-CZ2 4.31Å; I133-W169 HydrophobicContact CD1-CZ3 4.33Å
134	T	61.9	Low	77.5	Confident	150 Å²	150	90.4 Å²	90.4	92%	0.92	45%	0.447	S	S	*	.			trans	-97.2	-2.8	178.2	38.3	0	0	0	0	114.7
135	S	57.3	Low	77.2	Confident	69 Å²	69	91.9 Å²	91.9	48%	0.483	46%	0.456	S	S	.	.			trans	-135	124.9	-173.6	167.5	0	0	0	0	114.7	I133 K137	I133-S135 WeakPolarHBondContact CG2-O 3.39Å; S135-K137 PolarHBondContact O-N 3.35Å
136	N	51.6	Low	77	Confident	131 Å²	131	91.1 Å²	91.1	70%	0.701	46%	0.456	S	S	*	.			trans	-80.2	82.1	171.4	-87.5	-4.6	0	0	0	112.1	Y138	N136-Y138 HydrophobicContact CB-CD2 4.35Å; N136-Y138 HydrophobicContact CB-CE2 4.07Å; N136-Y138 WeakPolarHBondContact OD1-CE2 3.41Å; N136-Y138 PolarHBondContact OD1-OH 3.07Å
137	K	51.2	Low	76.7	Confident	142 Å²	142	86.6 Å²	86.6	62%	0.617	44%	0.442	S	S	*	.			trans	-120.9	69.3	165.3	-70.3	-167.8	179.9	-173.3	0	111.2	S135 R139	S135-K137 PolarHBondContact O-N 3.35Å; K137-R139 PolarHBondContact O-N 3.35Å
138	Y	53.4	Low	76.3	Confident	167 Å²	167	88.8 Å²	88.8	66%	0.655	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	21.2	177.5	-60.8	-75.5	0	0	0	114.6	N136	N136-Y138 HydrophobicContact CB-CD2 4.35Å; N136-Y138 HydrophobicContact CB-CE2 4.07Å; N136-Y138 WeakPolarHBondContact OD1-CE2 3.41Å; N136-Y138 PolarHBondContact OD1-OH 3.07Å
139	R	51	Low	76	Confident	236 Å²	236	91.4 Å²	91.4	89%	0.891	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.1	-7.8	-169.8	-70	-78.8	-132.5	-127	-2.5	114.1	K137	K137-R139 PolarHBondContact O-N 3.35Å
140	D	62.1	Low	75.6	Confident	92 Å²	92	98.3 Å²	98.3	49%	0.492	50%	0.495	S	S	.	.			trans	-110.3	134	-175.9	-60.9	-36.6	0	0	0	110.8	F142	D140-F142 HydrophobicContact CB-CD2 4.38Å; D140-F142 HydrophobicContact CB-CE2 3.74Å; D140-F142 HydrophobicContact CB-CZ 3.98Å; D140-F142 WeakPolarHBondContact O-CD2 3.43Å; D140-F142 WeakPolarHBondContact O-CE2 3.48Å
141	T	65	Low	75.3	Confident	117 Å²	117	94.6 Å²	94.6	72%	0.718	47%	0.472	S	S	*	.			trans	-77	119.5	168.6	49.3	0	0	0	0	108.7
142	F	80.1	Confident	74.9	Confident	31 Å²	31	100.2 Å²	100.2	14%	0.136	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	160.6	175.6	-66.1	-94.8	0	0	0	110.2	D140 Y150 I151 P153 N167 W169	D140-F142 HydrophobicContact CB-CD2 4.38Å; D140-F142 HydrophobicContact CB-CE2 3.74Å; D140-F142 HydrophobicContact CB-CZ 3.98Å; D140-F142 WeakPolarHBondContact O-CD2 3.43Å; D140-F142 WeakPolarHBondContact O-CE2 3.48Å; F142-Y150 WeakPolarHBondContact O-CA 3.14Å; F142-I151 VanDerWaalsContact C-CG1 3.48Å; F142-I151 HydrophobicContact CB-CD1 3.88Å; F142-I151 HydrophobicContact CB-CG1 3.8Å; F142-I151 VanDerWaalsContact O-CG1 3.25Å; F142-I151 WeakPolarHBondContact O-CG1 3.43Å; F142-I151 PolarHBondContact O-N 3.26Å; F142-P153 HydrophobicContact CD2-CB 3.35Å; F142-P153 HydrophobicContact CD2-CG 3.49Å; F142-P153 VanDerWaalsContact CD2-CG 3.49Å; F142-P153 HydrophobicContact CE2-CB 3.72Å; F142-P153 HydrophobicContact CE2-CG 3.76Å; F142-P153 HydrophobicContact CG-CB 4.1Å; F142-N167 HydrophobicContact CE1-CB 4.1Å; F142-W169 HydrophobicContact CB-CG 4.5Å; F142-W169 AromaticContact CD1-CD1 3.57Å; F142-W169 AromaticContact CD1-NE1 3.44Å; F142-W169 AromaticContact CE1-NE1 3.76Å; F142-W169 AromaticContact CG-CD1 3.81Å; F142-W169 AromaticContact CG-NE1 3.69Å
143	Q	88.6	Confident	74.7	Confident	86 Å²	86	95.3 Å²	95.3	40%	0.402	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	145.6	173.8	-72	176.6	-32.5	0	0	109.6	T145 L148 E149 Y150	Q143-T145 PolarHBondContact O-N 3.46Å; Q143-L148 WeakPolarHBondContact CG-O 3.42Å; Q143-L148 PolarHBondContact NE2-O 2.86Å; Q143-E149 CarbonylContact C-O 3.53Å; Q143-E149 VanDerWaalsContact CA-O 3.25Å; Q143-E149 WeakPolarHBondContact CA-O 3.43Å; Q143-Y150 HydrophobicContact CG-CD1 3.88Å; Q143-Y150 HydrophobicContact CG-CE1 3.98Å
144	C	91.4	Very high	75.1	Confident	0 Å²	0	95.8 Å²	95.8	0%	0	47%	0.471	C	S	.	.	B	Isolated β-bridge	trans	-62.5	125.5	166.2	174	0	0	0	0	108.6	I146 C147 L148 E149 I151 W169	C144-I146 PolarHBondContact O-N 2.95Å; C144-C147 VanDerWaalsContact CB-SG 3.57Å; C144-L148 WeakPolarHBondContact O-CA 2.81Å; C144-L148 PolarHBondContact O-N 3.23Å; C144-E149 PolarHBondContact N-O 2.98Å; C144-I151 HydrophobicContact CB-CG2 4.15Å; C144-W169 VanDerWaalsContact CA-O 3.3Å; C144-W169 WeakPolarHBondContact CA-O 3.4Å
145	T	90.4	Very high	76.4	Confident	31 Å²	31	90.4 Å²	90.4	19%	0.19	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	8.4	-176.1	64.3	0	0	0	0	113.8	Q143 A168 W169 F170 T190 L191	Q143-T145 PolarHBondContact O-N 3.46Å; T145-A168 HydrophobicContact CG2-CB 4.41Å; T145-W169 PolarHBondContact N-O 3.29Å; T145-F170 WeakPolarHBondContact OG1-CD1 3.24Å; T145-F170 WeakPolarHBondContact OG1-CE1 3.48Å; T145-F170 WeakPolarHBondContact OG1-CZ 3.24Å; T145-T190 WeakPolarHBondContact CB-OG1 3.36Å; T145-T190 PolarHBondContact O-OG1 3.38Å; T145-T190 PolarHBondContact OG1-OG1 3.39Å; T145-L191 HydrophobicContact CG2-CD1 4.21Å; T145-L191 HydrophobicContact CG2-CD2 4.04Å; T145-L191 HydrophobicContact CG2-CG 4.19Å
146	I	90.6	Very high	78	Confident	56 Å²	56	90.2 Å²	90.2	29%	0.287	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-59.6	173.8	-61.3	165.3	0	0	0	109.8	C144 F170 C174 L175 Q178 T190	C144-I146 PolarHBondContact O-N 2.95Å; I146-F170 HydrophobicContact CD1-CD1 3.56Å; I146-F170 HydrophobicContact CD1-CE1 4.14Å; I146-F170 HydrophobicContact CG1-CD1 3.79Å; I146-F170 HydrophobicContact CG1-CE1 4.09Å; I146-C174 HydrophobicContact CB-CB 3.94Å; I146-C174 HydrophobicContact CD1-CB 3.75Å; I146-C174 HydrophobicContact CG1-CB 4.46Å; I146-C174 HydrophobicContact CG2-CB 3.93Å; I146-L175 HydrophobicContact CD1-CD2 4.03Å; I146-L175 HydrophobicContact CD1-CG 4.2Å; I146-Q178 HydrophobicContact CD1-CB 4.27Å; I146-T190 HydrophobicContact CG1-CG2 4.19Å
147	C	91.1	Very high	79.9	Confident	46 Å²	46	85.4 Å²	85.4	31%	0.311	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-7.4	-177.8	65.9	0	0	0	0	114.6	C144 E149 H171	C144-C147 VanDerWaalsContact CB-SG 3.57Å; C147-E149 HydrophobicContact CB-CG 4.33Å; C147-E149 PolarHBondContact O-N 3.46Å; C147-H171 PolarHBondContact SG-ND1 3.09Å; C147-H171 VanDerWaalsContact SG-ND1 3.35Å
148	L	88.3	Confident	81.9	Confident	114 Å²	114	82.3 Å²	82.3	60%	0.597	40%	0.398	S	S	*	.			trans	61.8	7.8	-177.4	-50.3	178.5	0	0	0	115.1	Q143 C144	Q143-L148 WeakPolarHBondContact CG-O 3.42Å; Q143-L148 PolarHBondContact NE2-O 2.86Å; C144-L148 WeakPolarHBondContact O-CA 2.81Å; C144-L148 PolarHBondContact O-N 3.23Å
149	E	88.3	Confident	83.8	Confident	120 Å²	120	75.3 Å²	75.3	56%	0.561	37%	0.371	S	S	*	.			trans	-74.1	151.1	173.4	-64	178.8	161.5	0	0	111.6	Q143 C144 C147 H171	Q143-E149 CarbonylContact C-O 3.53Å; Q143-E149 VanDerWaalsContact CA-O 3.25Å; Q143-E149 WeakPolarHBondContact CA-O 3.43Å; C144-E149 PolarHBondContact N-O 2.98Å; C147-E149 HydrophobicContact CB-CG 4.33Å; C147-E149 PolarHBondContact O-N 3.46Å; E149-H171 IonicContact OE2-CE1 3.72Å
150	Y	86.6	Confident	85.8	Confident	163 Å²	163	64 Å²	64	64%	0.639	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	142.3	179.3	-68.3	-73.4	0	0	0	112	F142 Q143	F142-Y150 WeakPolarHBondContact O-CA 3.14Å; Q143-Y150 HydrophobicContact CG-CD1 3.88Å; Q143-Y150 HydrophobicContact CG-CE1 3.98Å
151	I	86.1	Confident	87.3	Confident	13 Å²	13	61 Å²	61	7%	0.067	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	149.2	179.5	51.7	162.8	0	0	0	110.5	F142 C144 P153 I159 W169 H171	F142-I151 VanDerWaalsContact C-CG1 3.48Å; F142-I151 HydrophobicContact CB-CD1 3.88Å; F142-I151 HydrophobicContact CB-CG1 3.8Å; F142-I151 VanDerWaalsContact O-CG1 3.25Å; F142-I151 WeakPolarHBondContact O-CG1 3.43Å; F142-I151 PolarHBondContact O-N 3.26Å; C144-I151 HydrophobicContact CB-CG2 4.15Å; I151-P153 WeakPolarHBondContact O-CD 3.45Å; I151-I159 HydrophobicContact CB-CD1 4.37Å; I151-I159 HydrophobicContact CG2-CD1 3.98Å; I151-W169 HydrophobicContact CD1-CB 2.97Å; I151-W169 HydrophobicContact CD1-CD2 4.18Å; I151-W169 HydrophobicContact CD1-CG 3.56Å; I151-W169 HydrophobicContact CG1-CB 4.44Å; I151-H171 VanDerWaalsContact CG2-NE2 3.34Å; I151-H171 WeakPolarHBondContact CG2-NE2 3.37Å
152	E	81.2	Confident	88.6	Confident	144 Å²	144	55.7 Å²	55.7	67%	0.673	28%	0.28	S	S	*	.			trans	-78.9	121.7	162.6	-66.8	-175.1	175	0	0	108.2	I154	E152-I154 PolarHBondContact O-N 2.94Å
153	P	77.7	Confident	89.1	Confident	24 Å²	24	57 Å²	57	16%	0.156	29%	0.291	C	S	.	.			trans	-76.7	57.2	-176	34.8	-39.6	0	0	0	111.6	F142 I151 W169	F142-P153 HydrophobicContact CD2-CB 3.35Å; F142-P153 HydrophobicContact CD2-CG 3.49Å; F142-P153 VanDerWaalsContact CD2-CG 3.49Å; F142-P153 HydrophobicContact CE2-CB 3.72Å; F142-P153 HydrophobicContact CE2-CG 3.76Å; F142-P153 HydrophobicContact CG-CB 4.1Å; I151-P153 WeakPolarHBondContact O-CD 3.45Å; P153-W169 VanDerWaalsContact C-CZ3 3.48Å; P153-W169 HydrophobicContact CB-CD2 4.29Å; P153-W169 HydrophobicContact CB-CH2 3.66Å; P153-W169 HydrophobicContact CB-CZ2 3.39Å; P153-W169 HydrophobicContact CB-CZ3 4.25Å; P153-W169 WeakPolarHBondContact O-CH2 3.09Å
154	I	83.9	Confident	89.3	Confident	79 Å²	79	54.7 Å²	54.7	41%	0.405	28%	0.284	S	S	.	.			trans	-122	116.3	178.3	-56.3	175.4	0	0	0	106.4	E152 T156 I159	E152-I154 PolarHBondContact O-N 2.94Å; I154-T156 HydrophobicContact CG2-CG2 4.17Å; I154-T156 PolarHBondContact O-N 3.36Å; I154-T156 VanDerWaalsContact O-N 3.11Å; I154-I159 WeakPolarHBondContact O-CB 3.34Å
155	P	87.7	Confident	89.1	Confident	37 Å²	37	55.8 Å²	55.8	24%	0.24	29%	0.292	C	S	.	.			trans	-62.4	119	176.9	-19.9	30.9	0	0	0	109.1	Q131 I133 I159 W169	Q131-P155 HydrophobicContact CB-CB 4.11Å; I133-P155 HydrophobicContact CD1-CG 3.18Å; I133-P155 HydrophobicContact CG1-CG 3.61Å; P155-I159 WeakPolarHBondContact CA-O 3.28Å; P155-W169 HydrophobicContact CG-CH2 4.35Å; P155-W169 HydrophobicContact CG-CZ3 4.11Å
156	T	91.3	Very high	88.5	Confident	66 Å²	66	63.6 Å²	63.6	41%	0.405	32%	0.323	S	S	.	.			trans	-132.4	-175	178.2	59.4	0	0	0	0	108.4	I154 N158 I159	I154-T156 HydrophobicContact CG2-CG2 4.17Å; I154-T156 PolarHBondContact O-N 3.36Å; I154-T156 VanDerWaalsContact O-N 3.11Å; T156-N158 PolarHBondContact O-N 2.98Å; T156-N158 PolarHBondContact OG1-N 3.26Å; T156-I159 PolarHBondContact N-O 3.29Å; T156-I159 PolarHBondContact OG1-N 3.49Å; T156-I159 VanDerWaalsContact OG1-N 3.12Å
157	Y	91.8	Very high	87.9	Confident	29 Å²	29	66.3 Å²	66.3	11%	0.114	34%	0.338	C	S	.	.	S	Bend	trans	-58.6	-38.9	169.4	175.5	-101.7	0	0	0	111.4	E111 I113 R172	E111-Y157 HydrophobicContact CB-CD1 3.87Å; E111-Y157 HydrophobicContact CB-CD2 3.65Å; E111-Y157 HydrophobicContact CB-CE1 4.34Å; E111-Y157 HydrophobicContact CB-CE2 4.14Å; E111-Y157 HydrophobicContact CB-CG 3.5Å; E111-Y157 HydrophobicContact CG-CD1 3.62Å; E111-Y157 HydrophobicContact CG-CD2 4.32Å; E111-Y157 HydrophobicContact CG-CE1 4.23Å; E111-Y157 HydrophobicContact CG-CG 3.68Å; I113-Y157 HydrophobicContact CG1-CE2 4.45Å; Y157-R172 PolarHBondContact O-NE 3.33Å; Y157-R172 PolarHBondContact O-NH2 2.97Å
158	N	92.3	Very high	87.8	Confident	78 Å²	78	64.1 Å²	64.1	42%	0.417	32%	0.323	S	S	.	.	S	Bend	trans	-88.9	-19.9	-174.8	-65.7	-36.3	0	0	0	114	T156 H171 R172	T156-N158 PolarHBondContact O-N 2.98Å; T156-N158 PolarHBondContact OG1-N 3.26Å; N158-H171 CarbonylContact O-C 3.55Å; N158-H171 WeakPolarHBondContact O-CA 3.36Å; N158-R172 PolarHBondContact O-N 3.31Å
159	I	93.6	Very high	88	Confident	19 Å²	19	59.2 Å²	59.2	10%	0.097	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	119.5	-176.5	-56.1	-61.8	0	0	0	109.6	I151 I154 P155 T156 W169 F170 H171	I151-I159 HydrophobicContact CB-CD1 4.37Å; I151-I159 HydrophobicContact CG2-CD1 3.98Å; I154-I159 WeakPolarHBondContact O-CB 3.34Å; P155-I159 WeakPolarHBondContact CA-O 3.28Å; T156-I159 PolarHBondContact N-O 3.29Å; T156-I159 PolarHBondContact OG1-N 3.49Å; T156-I159 VanDerWaalsContact OG1-N 3.12Å; I159-W169 HydrophobicContact CG2-CE3 3.81Å; I159-W169 HydrophobicContact CG2-CZ3 4.19Å; I159-F170 WeakPolarHBondContact CA-O 3.43Å; I159-H171 VanDerWaalsContact CD1-CD2 3.45Å; I159-H171 WeakPolarHBondContact CD1-CD2 3.48Å
160	L	94.5	Very high	88.3	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	143.2	-177.9	-62.9	177.5	0	0	0	111.1	W169 F170 L175 M202 M205 I207	L160-W169 CarbonylContact O-C 3.41Å; L160-W169 WeakPolarHBondContact O-CA 3.34Å; L160-F170 PolarHBondContact N-O 3.05Å; L160-F170 PolarHBondContact O-N 3.32Å; L160-L175 HydrophobicContact CB-CD1 3.9Å; L160-L175 HydrophobicContact CD1-CD1 3.68Å; L160-L175 HydrophobicContact CG-CD1 4.33Å; L160-M202 HydrophobicContact CD1-SD 4.17Å; L160-M205 HydrophobicContact CD1-CB 4.21Å; L160-M205 HydrophobicContact CD2-CB 4.07Å; L160-M205 HydrophobicContact CD2-CE 3.68Å; L160-M205 HydrophobicContact CD2-CG 4.11Å; L160-I207 HydrophobicContact CD1-CD1 3.99Å; L160-I207 HydrophobicContact CD1-CG1 4.08Å
161	L	92.4	Very high	88.7	Confident	29 Å²	29	47.7 Å²	47.7	15%	0.152	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	142.9	175.8	-177.6	70.6	0	0	0	110	Q131 I133 A168 W169	Q131-L161 PolarHBondContact NE2-O 3.32Å; I133-L161 HydrophobicContact CG1-CD2 4.3Å; L161-A168 WeakPolarHBondContact CD1-O 3.47Å; L161-W169 HydrophobicContact CB-CE3 4.24Å; L161-W169 HydrophobicContact CB-CZ3 4.29Å; L161-W169 HydrophobicContact CD1-CD2 3.68Å; L161-W169 HydrophobicContact CD1-CE3 4.03Å; L161-W169 HydrophobicContact CD1-CG 4.21Å; L161-W169 HydrophobicContact CD1-CH2 4.18Å; L161-W169 HydrophobicContact CD1-CZ2 3.8Å; L161-W169 HydrophobicContact CD1-CZ3 4.27Å
162	S	92.2	Very high	89	Confident	4 Å²	4	47.7 Å²	47.7	3%	0.028	25%	0.248	C	C	.	.			trans	-68.3	132.1	169.2	-170	0	0	0	0	111.7	C164 C165 A168	S162-C164 VanDerWaalsContact C-N 3.27Å; S162-C164 PolarHBondContact O-N 2.8Å; S162-C164 PolarHBondContact OG-N 2.92Å; S162-C164 PolarHBondContact OG-SG 2.86Å; S162-C165 PolarHBondContact OG-N 2.91Å; S162-A168 WeakPolarHBondContact CB-O 3.39Å; S162-A168 PolarHBondContact N-O 3.25Å
163	P	91.9	Very high	89.5	Confident	58 Å²	58	45.9 Å²	45.9	38%	0.377	24%	0.243	S	C	.	.	S	Bend	trans	-71.5	-20.9	172.2	31.6	-37.9	0	0	0	113.2	I197 E201	P163-I197 HydrophobicContact CG-CB 4.47Å; P163-I197 HydrophobicContact CG-CG1 4.43Å; P163-I197 VanDerWaalsContact CG-O 3.28Å; P163-I197 WeakPolarHBondContact CG-O 3.45Å; P163-E201 HydrophobicContact CB-CB 4.09Å; P163-E201 HydrophobicContact CB-CG 4.2Å; P163-E201 HydrophobicContact CG-CB 3.67Å; P163-E201 HydrophobicContact CG-CG 4.1Å
164	C	91.1	Very high	90.2	Very high	38 Å²	38	46 Å²	46	26%	0.257	24%	0.244	S	C	.	.	S	Bend	trans	-102.1	-14.2	-174.6	57.7	0	0	0	0	113.9	S162 C189 C192 N194 I197	S162-C164 VanDerWaalsContact C-N 3.27Å; S162-C164 PolarHBondContact O-N 2.8Å; S162-C164 PolarHBondContact OG-N 2.92Å; S162-C164 PolarHBondContact OG-SG 2.86Å; C164-C189 WeakPolarHBondContact SG-CB 3.43Å; C164-C189 PolarHBondContact SG-SG 3.21Å; C164-C192 PolarHBondContact SG-SG 3.18Å; C164-N194 HydrophobicContact CB-CB 3.99Å; C164-I197 HydrophobicContact CB-CD1 3.45Å; C164-I197 VanDerWaalsContact CB-CD1 3.45Å; C164-I197 HydrophobicContact CB-CG1 3.88Å
165	C	87.5	Confident	90.7	Very high	23 Å²	23	42.2 Å²	42.2	16%	0.155	23%	0.225	C	C	.	.			trans	-137.3	117.9	-175.8	-65.8	0	0	0	0	111.4	S162 N167 A168 L191 C192	S162-C165 PolarHBondContact OG-N 2.91Å; C165-N167 PolarHBondContact O-N 3.03Å; C165-N167 VanDerWaalsContact O-N 3.1Å; C165-A168 HydrophobicContact CB-CB 3.59Å; C165-A168 PolarHBondContact O-N 2.87Å; C165-L191 HydrophobicContact CB-CD1 4.48Å; C165-C192 VanDerWaalsContact SG-CB 3.58Å; C165-C192 PolarHBondContact SG-SG 3.13Å
166	K	78.4	Confident	91	Very high	196 Å²	196	41.8 Å²	41.8	85%	0.852	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-27.4	-172.2	-67.3	-177.4	178.6	177.5	0	115.2
167	N	77.8	Confident	90.8	Very high	112 Å²	112	41.7 Å²	41.7	60%	0.599	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.4	13.4	-176.1	-64.3	-13	0	0	0	113.1	F142 C165	F142-N167 HydrophobicContact CE1-CB 4.1Å; C165-N167 PolarHBondContact O-N 3.03Å; C165-N167 VanDerWaalsContact O-N 3.1Å
168	A	89.1	Confident	90.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.223	C	C	.	.			trans	-96.9	119.1	179.5	0	0	0	0	0	110.1	T145 L161 S162 C165 F170 L191	T145-A168 HydrophobicContact CG2-CB 4.41Å; L161-A168 WeakPolarHBondContact CD1-O 3.47Å; S162-A168 WeakPolarHBondContact CB-O 3.39Å; S162-A168 PolarHBondContact N-O 3.25Å; C165-A168 HydrophobicContact CB-CB 3.59Å; C165-A168 PolarHBondContact O-N 2.87Å; A168-F170 HydrophobicContact CB-CE2 4.16Å; A168-F170 HydrophobicContact CB-CZ 4.22Å; A168-L191 HydrophobicContact CB-CD1 3.6Å; A168-L191 HydrophobicContact CB-CG 4.04Å
169	W	91.9	Very high	90.8	Very high	12 Å²	12	38.7 Å²	38.7	5%	0.045	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	154.9	-174.8	-64.1	90.1	0	0	0	110.8	I133 F142 C144 T145 I151 P153 P155 I159 L160 L161	I133-W169 HydrophobicContact CD1-CH2 3.51Å; I133-W169 HydrophobicContact CD1-CZ2 4.31Å; I133-W169 HydrophobicContact CD1-CZ3 4.33Å; F142-W169 HydrophobicContact CB-CG 4.5Å; F142-W169 AromaticContact CD1-CD1 3.57Å; F142-W169 AromaticContact CD1-NE1 3.44Å; F142-W169 AromaticContact CE1-NE1 3.76Å; F142-W169 AromaticContact CG-CD1 3.81Å; F142-W169 AromaticContact CG-NE1 3.69Å; C144-W169 VanDerWaalsContact CA-O 3.3Å; C144-W169 WeakPolarHBondContact CA-O 3.4Å; T145-W169 PolarHBondContact N-O 3.29Å; I151-W169 HydrophobicContact CD1-CB 2.97Å; I151-W169 HydrophobicContact CD1-CD2 4.18Å; I151-W169 HydrophobicContact CD1-CG 3.56Å; I151-W169 HydrophobicContact CG1-CB 4.44Å; P153-W169 VanDerWaalsContact C-CZ3 3.48Å; P153-W169 HydrophobicContact CB-CD2 4.29Å; P153-W169 HydrophobicContact CB-CH2 3.66Å; P153-W169 HydrophobicContact CB-CZ2 3.39Å; P153-W169 HydrophobicContact CB-CZ3 4.25Å; P153-W169 WeakPolarHBondContact O-CH2 3.09Å; P155-W169 HydrophobicContact CG-CH2 4.35Å; P155-W169 HydrophobicContact CG-CZ3 4.11Å; I159-W169 HydrophobicContact CG2-CE3 3.81Å; I159-W169 HydrophobicContact CG2-CZ3 4.19Å; L160-W169 CarbonylContact O-C 3.41Å; L160-W169 WeakPolarHBondContact O-CA 3.34Å; L161-W169 HydrophobicContact CB-CE3 4.24Å; L161-W169 HydrophobicContact CB-CZ3 4.29Å; L161-W169 HydrophobicContact CD1-CD2 3.68Å; L161-W169 HydrophobicContact CD1-CE3 4.03Å; L161-W169 HydrophobicContact CD1-CG 4.21Å; L161-W169 HydrophobicContact CD1-CH2 4.18Å; L161-W169 HydrophobicContact CD1-CZ2 3.8Å; L161-W169 HydrophobicContact CD1-CZ3 4.27Å
170	F	94.8	Very high	90.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	143.7	-170.9	-50.3	-91	0	0	0	112.9	T145 I146 I159 L160 A168 L175 T190 F198	T145-F170 WeakPolarHBondContact OG1-CD1 3.24Å; T145-F170 WeakPolarHBondContact OG1-CE1 3.48Å; T145-F170 WeakPolarHBondContact OG1-CZ 3.24Å; I146-F170 HydrophobicContact CD1-CD1 3.56Å; I146-F170 HydrophobicContact CD1-CE1 4.14Å; I146-F170 HydrophobicContact CG1-CD1 3.79Å; I146-F170 HydrophobicContact CG1-CE1 4.09Å; I159-F170 WeakPolarHBondContact CA-O 3.43Å; L160-F170 PolarHBondContact N-O 3.05Å; L160-F170 PolarHBondContact O-N 3.32Å; A168-F170 HydrophobicContact CB-CE2 4.16Å; A168-F170 HydrophobicContact CB-CZ 4.22Å; F170-L175 HydrophobicContact CB-CD1 3.38Å; F170-L175 HydrophobicContact CB-CD2 4.07Å; F170-L175 HydrophobicContact CB-CG 3.52Å; F170-L175 HydrophobicContact CD1-CD2 3.81Å; F170-L175 HydrophobicContact CD1-CG 4.16Å; F170-L175 HydrophobicContact CD2-CD1 4.17Å; F170-L175 HydrophobicContact CD2-CD2 4.26Å; F170-L175 HydrophobicContact CE1-CD2 4.25Å; F170-L175 HydrophobicContact CG-CD1 3.85Å; F170-L175 HydrophobicContact CG-CD2 3.79Å; F170-L175 HydrophobicContact CG-CG 3.85Å; F170-T190 HydrophobicContact CE1-CG2 4.5Å; F170-F198 HydrophobicContact CD2-CE2 4.5Å; F170-F198 HydrophobicContact CE1-CZ 4.44Å; F170-F198 AromaticContact CE2-CE2 3.69Å; F170-F198 HydrophobicContact CE2-CE2 3.69Å; F170-F198 HydrophobicContact CE2-CZ 4.09Å; F170-F198 AromaticContact CZ-CE2 3.81Å; F170-F198 HydrophobicContact CZ-CE2 3.81Å; F170-F198 AromaticContact CZ-CZ 3.96Å; F170-F198 HydrophobicContact CZ-CZ 3.96Å
171	H	94.8	Very high	89.9	Confident	40 Å²	40	41.9 Å²	41.9	19%	0.185	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	136.4	157.1	-62.1	122.2	0	0	0	109.7	C147 E149 I151 N158 I159 D173 C174 L175	C147-H171 PolarHBondContact SG-ND1 3.09Å; C147-H171 VanDerWaalsContact SG-ND1 3.35Å; E149-H171 IonicContact OE2-CE1 3.72Å; I151-H171 VanDerWaalsContact CG2-NE2 3.34Å; I151-H171 WeakPolarHBondContact CG2-NE2 3.37Å; N158-H171 CarbonylContact O-C 3.55Å; N158-H171 WeakPolarHBondContact O-CA 3.36Å; I159-H171 VanDerWaalsContact CD1-CD2 3.45Å; I159-H171 WeakPolarHBondContact CD1-CD2 3.48Å; H171-D173 PolarHBondContact O-N 3.34Å; H171-C174 HydrophobicContact CB-CB 4.03Å; H171-C174 PolarHBondContact O-N 3.28Å; H171-L175 PolarHBondContact O-N 2.66Å
172	R	94.1	Very high	89.6	Confident	13 Å²	13	40.6 Å²	40.6	5%	0.049	21%	0.214	C	C	.	.	H	α-helix	trans	-52.6	-44.6	172.5	169.5	178.5	-71.6	-83.2	-2.8	110.9	Y157 N158 L175 Q176 M205 I207	Y157-R172 PolarHBondContact O-NE 3.33Å; Y157-R172 PolarHBondContact O-NH2 2.97Å; N158-R172 PolarHBondContact O-N 3.31Å; R172-L175 PolarHBondContact O-N 2.91Å; R172-Q176 WeakPolarHBondContact O-CB 3.22Å; R172-Q176 PolarHBondContact O-N 3.5Å; R172-M205 VanDerWaalsContact CZ-O 3.3Å; R172-M205 PolarHBondContact NH1-O 3.28Å; R172-M205 PolarHBondContact NH2-O 2.75Å; R172-I207 HydrophobicContact CG-CD1 3.86Å
173	D	90.3	Very high	89.3	Confident	106 Å²	106	40.4 Å²	40.4	57%	0.567	21%	0.213	S	C	*	.	H	α-helix	trans	-65.7	-41.2	-178	-69.8	-16.1	0	0	0	111.4	H171 L175 Q176 V177	H171-D173 PolarHBondContact O-N 3.34Å; D173-L175 PolarHBondContact O-N 3.43Å; D173-Q176 PolarHBondContact O-N 3.06Å; D173-V177 WeakPolarHBondContact O-CG2 3.4Å; D173-V177 PolarHBondContact O-N 2.71Å
174	C	93.6	Very high	88.9	Confident	27 Å²	27	39.4 Å²	39.4	18%	0.182	21%	0.205	C	C	.	.	H	α-helix	trans	-61	-44.2	173.7	-65.8	0	0	0	0	111.9	I146 H171 Q176 Q178	I146-C174 HydrophobicContact CB-CB 3.94Å; I146-C174 HydrophobicContact CD1-CB 3.75Å; I146-C174 HydrophobicContact CG1-CB 4.46Å; I146-C174 HydrophobicContact CG2-CB 3.93Å; H171-C174 HydrophobicContact CB-CB 4.03Å; H171-C174 PolarHBondContact O-N 3.28Å; C174-Q176 VanDerWaalsContact C-N 3.32Å; C174-Q176 PolarHBondContact O-N 2.89Å; C174-Q178 VanDerWaalsContact O-CB 3.24Å; C174-Q178 WeakPolarHBondContact O-CB 3.05Å; C174-Q178 PolarHBondContact O-N 2.71Å
175	L	94.8	Very high	88.3	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.3	-39.3	175.4	-76.8	165.3	0	0	0	112.1	I146 L160 F170 H171 R172 D173 Q178 A179 F187 F198 M202 I207	I146-L175 HydrophobicContact CD1-CD2 4.03Å; I146-L175 HydrophobicContact CD1-CG 4.2Å; L160-L175 HydrophobicContact CB-CD1 3.9Å; L160-L175 HydrophobicContact CD1-CD1 3.68Å; L160-L175 HydrophobicContact CG-CD1 4.33Å; F170-L175 HydrophobicContact CB-CD1 3.38Å; F170-L175 HydrophobicContact CB-CD2 4.07Å; F170-L175 HydrophobicContact CB-CG 3.52Å; F170-L175 HydrophobicContact CD1-CD2 3.81Å; F170-L175 HydrophobicContact CD1-CG 4.16Å; F170-L175 HydrophobicContact CD2-CD1 4.17Å; F170-L175 HydrophobicContact CD2-CD2 4.26Å; F170-L175 HydrophobicContact CE1-CD2 4.25Å; F170-L175 HydrophobicContact CG-CD1 3.85Å; F170-L175 HydrophobicContact CG-CD2 3.79Å; F170-L175 HydrophobicContact CG-CG 3.85Å; H171-L175 PolarHBondContact O-N 2.66Å; R172-L175 PolarHBondContact O-N 2.91Å; D173-L175 PolarHBondContact O-N 3.43Å; L175-Q178 PolarHBondContact O-N 3.11Å; L175-A179 VanDerWaalsContact O-CB 3.22Å; L175-A179 WeakPolarHBondContact O-CB 3.23Å; L175-A179 PolarHBondContact O-N 2.9Å; L175-F187 HydrophobicContact CB-CZ 4.41Å; L175-F187 HydrophobicContact CD2-CE2 4.07Å; L175-F187 HydrophobicContact CD2-CZ 3.81Å; L175-F187 WeakPolarHBondContact O-CE2 3.5Å; L175-F198 HydrophobicContact CD2-CE1 4.2Å; L175-F198 HydrophobicContact CD2-CZ 3.62Å; L175-M202 HydrophobicContact CD1-SD 3.48Å; L175-M202 WeakPolarHBondContact CD1-SD 3.47Å; L175-M202 HydrophobicContact CD2-SD 4.13Å; L175-M202 HydrophobicContact CG-SD 4.38Å; L175-I207 HydrophobicContact CB-CD1 3.93Å; L175-I207 HydrophobicContact CB-CG1 4.29Å
176	Q	92.3	Very high	88.2	Confident	27 Å²	27	43.5 Å²	43.5	13%	0.126	21%	0.214	C	C	.	.	H	α-helix	trans	-68	-42.7	-179.1	-173	57	77.3	0	0	111.6	R172 D173 C174 A179 I180 H208	R172-Q176 WeakPolarHBondContact O-CB 3.22Å; R172-Q176 PolarHBondContact O-N 3.5Å; D173-Q176 PolarHBondContact O-N 3.06Å; C174-Q176 VanDerWaalsContact C-N 3.32Å; C174-Q176 PolarHBondContact O-N 2.89Å; Q176-A179 PolarHBondContact O-N 3.12Å; Q176-I180 HydrophobicContact CG-CD1 4.08Å; Q176-I180 WeakPolarHBondContact O-CB 3.16Å; Q176-I180 WeakPolarHBondContact O-CD1 3.36Å; Q176-I180 VanDerWaalsContact O-CG1 3.24Å; Q176-I180 WeakPolarHBondContact O-CG1 3.39Å; Q176-I180 PolarHBondContact O-N 3.37Å; Q176-H208 PolarHBondContact NE2-O 2.78Å
177	V	88.8	Confident	88.9	Confident	65 Å²	65	34.2 Å²	34.2	39%	0.394	17%	0.174	S	C	.	.	H	α-helix	trans	-64.3	-46.9	173.9	172.3	0	0	0	0	110.3	D173 A179 I180 N181	D173-V177 WeakPolarHBondContact O-CG2 3.4Å; D173-V177 PolarHBondContact O-N 2.71Å; V177-A179 VanDerWaalsContact C-N 3.32Å; V177-A179 PolarHBondContact O-N 3.4Å; V177-I180 PolarHBondContact O-N 3.35Å; V177-N181 PolarHBondContact O-N 2.82Å
178	Q	91.1	Very high	89.6	Confident	43 Å²	43	32.2 Å²	32.2	20%	0.201	16%	0.158	C	C	.	.	H	α-helix	trans	-59.2	-43.4	177.3	-170.3	-171.8	15.3	0	0	111.4	I146 C174 L175 N181 A182 F187 T190	I146-Q178 HydrophobicContact CD1-CB 4.27Å; C174-Q178 VanDerWaalsContact O-CB 3.24Å; C174-Q178 WeakPolarHBondContact O-CB 3.05Å; C174-Q178 PolarHBondContact O-N 2.71Å; L175-Q178 PolarHBondContact O-N 3.11Å; Q178-N181 PolarHBondContact O-N 2.92Å; Q178-A182 WeakPolarHBondContact O-CB 3.35Å; Q178-A182 PolarHBondContact O-N 2.93Å; Q178-F187 HydrophobicContact CB-CD2 4.3Å; Q178-F187 HydrophobicContact CB-CE2 4.08Å; Q178-F187 HydrophobicContact CG-CD2 4.02Å; Q178-F187 HydrophobicContact CG-CE2 4.14Å; Q178-T190 VanDerWaalsContact NE2-CG2 3.25Å
179	A	92.3	Very high	89.8	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.6	-41.9	177.4	0	0	0	0	0	112.4	L175 Q176 V177 N181 G183 F187 I207 H208 I209 P210	L175-A179 VanDerWaalsContact O-CB 3.22Å; L175-A179 WeakPolarHBondContact O-CB 3.23Å; L175-A179 PolarHBondContact O-N 2.9Å; Q176-A179 PolarHBondContact O-N 3.12Å; V177-A179 VanDerWaalsContact C-N 3.32Å; V177-A179 PolarHBondContact O-N 3.4Å; A179-N181 VanDerWaalsContact C-N 3.34Å; A179-G183 WeakPolarHBondContact O-CA 3.47Å; A179-G183 PolarHBondContact O-N 2.78Å; A179-F187 HydrophobicContact CB-CD1 4.19Å; A179-F187 HydrophobicContact CB-CD2 3.68Å; A179-F187 HydrophobicContact CB-CE1 4.17Å; A179-F187 HydrophobicContact CB-CE2 3.68Å; A179-F187 HydrophobicContact CB-CG 3.93Å; A179-F187 HydrophobicContact CB-CZ 3.91Å; A179-I207 HydrophobicContact CB-CG2 3.76Å; A179-H208 WeakPolarHBondContact CB-O 3.47Å; A179-I209 HydrophobicContact CB-CG1 4.13Å; A179-P210 WeakPolarHBondContact O-CD 3.41Å
180	I	85.5	Confident	89.5	Confident	22 Å²	22	34 Å²	34	11%	0.113	17%	0.17	C	C	.	.	H	α-helix	trans	-64.5	-39.7	177.8	-72.4	164.9	0	0	0	111.2	N25 Q176 V177 K212	N25-I180 HydrophobicContact CB-CD1 4.49Å; Q176-I180 HydrophobicContact CG-CD1 4.08Å; Q176-I180 WeakPolarHBondContact O-CB 3.16Å; Q176-I180 WeakPolarHBondContact O-CD1 3.36Å; Q176-I180 VanDerWaalsContact O-CG1 3.24Å; Q176-I180 WeakPolarHBondContact O-CG1 3.39Å; Q176-I180 PolarHBondContact O-N 3.37Å; V177-I180 PolarHBondContact O-N 3.35Å; I180-K212 WeakPolarHBondContact O-CE 3.39Å; I180-K212 PolarHBondContact O-NZ 3.36Å
181	N	83.6	Confident	89.2	Confident	65 Å²	65	38.8 Å²	38.8	35%	0.348	20%	0.195	S	C	.	.	H	α-helix	trans	-79.2	-39.6	-179.1	-70	-12.7	0	0	0	112.1	V177 Q178 A179 A214 S215 W216	V177-N181 PolarHBondContact O-N 2.82Å; Q178-N181 PolarHBondContact O-N 2.92Å; A179-N181 VanDerWaalsContact C-N 3.34Å; N181-A214 CarbonylContact O-C 3.47Å; N181-A214 WeakPolarHBondContact O-CA 3.4Å; N181-A214 WeakPolarHBondContact O-CB 3.38Å; N181-S215 PolarHBondContact O-N 3.09Å; N181-W216 HydrophobicContact CB-CZ3 4.27Å
182	A	85.3	Confident	88.8	Confident	2 Å²	2	39.8 Å²	39.8	2%	0.017	21%	0.206	C	C	.	.	H	α-helix	trans	-80.7	-23.4	-176.8	0	0	0	0	0	113.7	Q178 F186 F187 W216	Q178-A182 WeakPolarHBondContact O-CB 3.35Å; Q178-A182 PolarHBondContact O-N 2.93Å; A182-F186 HydrophobicContact CB-CB 3.96Å; A182-F186 WeakPolarHBondContact O-CB 3.42Å; A182-F186 WeakPolarHBondContact O-CD2 3.01Å; A182-F186 PolarHBondContact O-N 3.45Å; A182-F187 HydrophobicContact CB-CB 4.07Å; A182-W216 VanDerWaalsContact CA-CH2 3.41Å; A182-W216 HydrophobicContact CB-CH2 3.56Å; A182-W216 HydrophobicContact CB-CZ3 4.06Å
183	G	85.8	Confident	88.4	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	60.6	-179.4	-170.8	0	0	0	0	0	112.8	A179 Y185 F186 F187 P210	A179-G183 WeakPolarHBondContact O-CA 3.47Å; A179-G183 PolarHBondContact O-N 2.78Å; G183-Y185 PolarHBondContact O-N 2.75Å; G183-F186 PolarHBondContact O-N 3.28Å; G183-F187 WeakPolarHBondContact O-CB 3.34Å; G183-F187 PolarHBondContact O-N 3.02Å; G183-P210 CarbonylContact C-O 3.6Å; G183-P210 WeakPolarHBondContact CA-O 3.45Å
184	V	83.9	Confident	88.5	Confident	36 Å²	36	40.3 Å²	40.3	22%	0.218	21%	0.21	C	C	.	.	H	α-helix	trans	-61.6	-27.2	-178.9	73.9	0	0	0	0	113	Q199 I209 P210 E211	V184-Q199 PolarHBondContact O-NE2 2.83Å; V184-I209 VanDerWaalsContact CA-CG2 3.47Å; V184-I209 HydrophobicContact CB-CG2 3.95Å; V184-I209 HydrophobicContact CG2-CG2 4.21Å; V184-P210 PolarHBondContact N-O 2.84Å; V184-E211 HydrophobicContact CB-CG 4.48Å; V184-E211 HydrophobicContact CG1-CB 4.36Å; V184-E211 HydrophobicContact CG1-CG 4.16Å
185	Y	79.2	Confident	88.2	Confident	102 Å²	102	40.4 Å²	40.4	40%	0.4	21%	0.21	S	C	.	.	H	α-helix	trans	-78.4	-33	-175.3	-60.1	-60.5	0	0	0	113.5	G183	G183-Y185 PolarHBondContact O-N 2.75Å
186	F	85.7	Confident	87.9	Confident	46 Å²	46	46.5 Å²	46.5	20%	0.202	24%	0.242	C	C	.	.	H	α-helix	trans	-115.3	-6	-174.7	-56.7	-85.8	0	0	0	114.2	A182 G183 R188 A214 W216 E217 F364	A182-F186 HydrophobicContact CB-CB 3.96Å; A182-F186 WeakPolarHBondContact O-CB 3.42Å; A182-F186 WeakPolarHBondContact O-CD2 3.01Å; A182-F186 PolarHBondContact O-N 3.45Å; G183-F186 PolarHBondContact O-N 3.28Å; F186-R188 PolarHBondContact O-N 2.85Å; F186-A214 HydrophobicContact CD2-CB 3.56Å; F186-A214 HydrophobicContact CE2-CB 3.98Å; F186-A214 HydrophobicContact CG-CB 4.29Å; F186-W216 HydrophobicContact CB-CH2 4.03Å; F186-W216 HydrophobicContact CB-CZ2 3.75Å; F186-W216 HydrophobicContact CD1-CZ2 4.41Å; F186-W216 HydrophobicContact CD2-CZ2 4.32Å; F186-W216 AromaticContact CG-CZ2 3.93Å; F186-W216 HydrophobicContact CG-CZ2 3.93Å; F186-E217 HydrophobicContact CE2-CG 4.36Å; F186-F364 HydrophobicContact CD1-CD2 4.48Å
187	F	92	Very high	88	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.256	C	S	.	.			trans	-74.3	105.7	176.2	-175.1	-112	0	0	0	111.6	L175 Q178 A179 A182 G183 F198 Q199 M202 I207 I209	L175-F187 HydrophobicContact CB-CZ 4.41Å; L175-F187 HydrophobicContact CD2-CE2 4.07Å; L175-F187 HydrophobicContact CD2-CZ 3.81Å; L175-F187 WeakPolarHBondContact O-CE2 3.5Å; Q178-F187 HydrophobicContact CB-CD2 4.3Å; Q178-F187 HydrophobicContact CB-CE2 4.08Å; Q178-F187 HydrophobicContact CG-CD2 4.02Å; Q178-F187 HydrophobicContact CG-CE2 4.14Å; A179-F187 HydrophobicContact CB-CD1 4.19Å; A179-F187 HydrophobicContact CB-CD2 3.68Å; A179-F187 HydrophobicContact CB-CE1 4.17Å; A179-F187 HydrophobicContact CB-CE2 3.68Å; A179-F187 HydrophobicContact CB-CG 3.93Å; A179-F187 HydrophobicContact CB-CZ 3.91Å; A182-F187 HydrophobicContact CB-CB 4.07Å; G183-F187 WeakPolarHBondContact O-CB 3.34Å; G183-F187 PolarHBondContact O-N 3.02Å; F187-F198 HydrophobicContact CD1-CE1 4.4Å; F187-F198 HydrophobicContact CE1-CD1 4.22Å; F187-F198 AromaticContact CE1-CE1 3.81Å; F187-F198 HydrophobicContact CE1-CE1 3.81Å; F187-F198 HydrophobicContact CE2-CE1 4.22Å; F187-F198 AromaticContact CZ-CE1 3.72Å; F187-F198 HydrophobicContact CZ-CE1 3.72Å; F187-F198 HydrophobicContact CZ-CZ 4.46Å; F187-Q199 HydrophobicContact CD1-CG 4.12Å; F187-Q199 WeakPolarHBondContact O-CG 3.45Å; F187-Q199 PolarHBondContact O-NE2 2.83Å; F187-M202 HydrophobicContact CE1-CB 3.83Å; F187-M202 HydrophobicContact CE1-CG 3.83Å; F187-M202 HydrophobicContact CZ-CB 4.32Å; F187-M202 HydrophobicContact CZ-CG 4.02Å; F187-I207 HydrophobicContact CE1-CG2 4.41Å; F187-I207 HydrophobicContact CZ-CG2 4.19Å; F187-I209 HydrophobicContact CB-CG2 4.23Å; F187-I209 HydrophobicContact CD1-CD1 3.48Å; F187-I209 VanDerWaalsContact CD1-CD1 3.48Å; F187-I209 HydrophobicContact CD1-CG1 3.76Å; F187-I209 HydrophobicContact CD1-CG2 4.3Å; F187-I209 HydrophobicContact CE1-CD1 3.7Å; F187-I209 HydrophobicContact CE1-CG1 3.94Å
188	R	92	Very high	88.3	Confident	70 Å²	70	46 Å²	46	26%	0.264	24%	0.237	S	C	.	.			trans	-141.3	165.3	-174.2	60.5	-178.8	151.5	-179.9	0.3	111.3	F186 T190 N193 F364	F186-R188 PolarHBondContact O-N 2.85Å; R188-T190 PolarHBondContact O-N 2.9Å; R188-N193 WeakPolarHBondContact CD-OD1 3.34Å; R188-F364 VanDerWaalsContact NH1-CZ 3.26Å
189	C	93.1	Very high	88.5	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.233	C	C	.	.			trans	-60.3	125.7	172	-177.9	0	0	0	0	110.7	C164 L191 N193 N194 F198	C164-C189 WeakPolarHBondContact SG-CB 3.43Å; C164-C189 PolarHBondContact SG-SG 3.21Å; C189-L191 PolarHBondContact O-N 3.43Å; C189-L191 VanDerWaalsContact O-N 3.12Å; C189-N193 WeakPolarHBondContact O-CA 3.38Å; C189-N193 PolarHBondContact O-N 2.92Å; C189-N194 PolarHBondContact N-O 3.48Å; C189-F198 HydrophobicContact CB-CB 4.2Å; C189-F198 HydrophobicContact CB-CD1 4.37Å; C189-F198 HydrophobicContact CB-CD2 3.59Å; C189-F198 HydrophobicContact CB-CE2 4.01Å; C189-F198 HydrophobicContact CB-CG 3.8Å; C189-F198 VanDerWaalsContact N-CD1 3.35Å
190	T	87.7	Confident	88.6	Confident	49 Å²	49	52.7 Å²	52.7	30%	0.301	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-10.8	-177.5	61.4	0	0	0	0	114.8	T145 I146 F170 Q178 R188	T145-T190 WeakPolarHBondContact CB-OG1 3.36Å; T145-T190 PolarHBondContact O-OG1 3.38Å; T145-T190 PolarHBondContact OG1-OG1 3.39Å; I146-T190 HydrophobicContact CG1-CG2 4.19Å; F170-T190 HydrophobicContact CE1-CG2 4.5Å; Q178-T190 VanDerWaalsContact NE2-CG2 3.25Å; R188-T190 PolarHBondContact O-N 2.9Å
191	L	86.5	Confident	89.1	Confident	101 Å²	101	53.2 Å²	53.2	53%	0.529	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-42.8	-179.9	-61.5	-162.9	0	0	0	114.3	T145 C165 A168 C189	T145-L191 HydrophobicContact CG2-CD1 4.21Å; T145-L191 HydrophobicContact CG2-CD2 4.04Å; T145-L191 HydrophobicContact CG2-CG 4.19Å; C165-L191 HydrophobicContact CB-CD1 4.48Å; A168-L191 HydrophobicContact CB-CD1 3.6Å; A168-L191 HydrophobicContact CB-CG 4.04Å; C189-L191 PolarHBondContact O-N 3.43Å; C189-L191 VanDerWaalsContact O-N 3.12Å
192	C	88.2	Confident	89.7	Confident	61 Å²	61	50.1 Å²	50.1	41%	0.412	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119	1.5	-174.2	70	0	0	0	0	114	C164 C165 N194	C164-C192 PolarHBondContact SG-SG 3.18Å; C165-C192 VanDerWaalsContact SG-CB 3.58Å; C165-C192 PolarHBondContact SG-SG 3.13Å; C192-N194 PolarHBondContact O-N 3.45Å; C192-N194 VanDerWaalsContact SG-CB 3.5Å
193	N	85.5	Confident	90.2	Very high	83 Å²	83	51.5 Å²	51.5	44%	0.444	26%	0.259	S	S	.	.			trans	58	12.9	-177.1	-61.8	-34.2	0	0	0	115.4	R188 C189 T195	R188-N193 WeakPolarHBondContact CD-OD1 3.34Å; C189-N193 WeakPolarHBondContact O-CA 3.38Å; C189-N193 PolarHBondContact O-N 2.92Å; N193-T195 PolarHBondContact O-N 2.84Å
194	N	91.1	Very high	90.6	Very high	47 Å²	47	55.8 Å²	55.8	25%	0.251	27%	0.274	S	S	.	.			trans	-64.3	128.8	172.7	-176.4	-82.6	0	0	0	110	C164 C189 C192 D196 I197 F198	C164-N194 HydrophobicContact CB-CB 3.99Å; C189-N194 PolarHBondContact N-O 3.48Å; C192-N194 PolarHBondContact O-N 3.45Å; C192-N194 VanDerWaalsContact SG-CB 3.5Å; N194-D196 PolarHBondContact OD1-N 2.92Å; N194-I197 WeakPolarHBondContact OD1-CG1 3.25Å; N194-I197 PolarHBondContact OD1-N 2.92Å; N194-F198 WeakPolarHBondContact O-CB 3.5Å; N194-F198 PolarHBondContact OD1-N 2.88Å
195	T	88.7	Confident	91.2	Very high	30 Å²	30	54.3 Å²	54.3	18%	0.184	27%	0.265	C	S	.	.			trans	-100.1	-49	178.1	-54.2	0	0	0	0	110.4	N193 F198 Q199	N193-T195 PolarHBondContact O-N 2.84Å; T195-F198 PolarHBondContact O-N 3.09Å; T195-Q199 VanDerWaalsContact CG2-CD 3.42Å; T195-Q199 HydrophobicContact CG2-CG 3.79Å; T195-Q199 VanDerWaalsContact O-CB 3.26Å; T195-Q199 WeakPolarHBondContact O-CB 3.25Å; T195-Q199 VanDerWaalsContact O-CG 3.31Å; T195-Q199 WeakPolarHBondContact O-CG 3.15Å; T195-Q199 PolarHBondContact O-N 2.81Å
196	D	87.8	Confident	91.9	Very high	128 Å²	128	49.8 Å²	49.8	68%	0.684	25%	0.25	S	S	*	.	H	α-helix	trans	-59.5	-59.3	-166.9	-51.8	-32.7	0	0	0	114	N194 K200	N194-D196 PolarHBondContact OD1-N 2.92Å; D196-K200 WeakPolarHBondContact O-CB 3.34Å; D196-K200 PolarHBondContact O-N 3.07Å
197	I	93.8	Very high	92.4	Very high	80 Å²	80	47.6 Å²	47.6	41%	0.41	24%	0.241	S	C	.	.	H	α-helix	trans	-76.2	-31.7	-177.5	57.8	165.5	0	0	0	110.7	P163 C164 N194 E201	P163-I197 HydrophobicContact CG-CB 4.47Å; P163-I197 HydrophobicContact CG-CG1 4.43Å; P163-I197 VanDerWaalsContact CG-O 3.28Å; P163-I197 WeakPolarHBondContact CG-O 3.45Å; C164-I197 HydrophobicContact CB-CD1 3.45Å; C164-I197 VanDerWaalsContact CB-CD1 3.45Å; C164-I197 HydrophobicContact CB-CG1 3.88Å; N194-I197 WeakPolarHBondContact OD1-CG1 3.25Å; N194-I197 PolarHBondContact OD1-N 2.92Å; I197-E201 WeakPolarHBondContact O-CB 3.3Å; I197-E201 PolarHBondContact O-N 2.79Å; I197-E201 VanDerWaalsContact O-N 3.08Å
198	F	95.4	Very high	92.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.6	-57.5	177.2	-171.5	-101.9	0	0	0	111.7	F170 L175 F187 C189 N194 T195 K200 E201 M202	F170-F198 HydrophobicContact CD2-CE2 4.5Å; F170-F198 HydrophobicContact CE1-CZ 4.44Å; F170-F198 AromaticContact CE2-CE2 3.69Å; F170-F198 HydrophobicContact CE2-CE2 3.69Å; F170-F198 HydrophobicContact CE2-CZ 4.09Å; F170-F198 AromaticContact CZ-CE2 3.81Å; F170-F198 HydrophobicContact CZ-CE2 3.81Å; F170-F198 AromaticContact CZ-CZ 3.96Å; F170-F198 HydrophobicContact CZ-CZ 3.96Å; L175-F198 HydrophobicContact CD2-CE1 4.2Å; L175-F198 HydrophobicContact CD2-CZ 3.62Å; F187-F198 HydrophobicContact CD1-CE1 4.4Å; F187-F198 HydrophobicContact CE1-CD1 4.22Å; F187-F198 AromaticContact CE1-CE1 3.81Å; F187-F198 HydrophobicContact CE1-CE1 3.81Å; F187-F198 HydrophobicContact CE2-CE1 4.22Å; F187-F198 AromaticContact CZ-CE1 3.72Å; F187-F198 HydrophobicContact CZ-CE1 3.72Å; F187-F198 HydrophobicContact CZ-CZ 4.46Å; C189-F198 HydrophobicContact CB-CB 4.2Å; C189-F198 HydrophobicContact CB-CD1 4.37Å; C189-F198 HydrophobicContact CB-CD2 3.59Å; C189-F198 HydrophobicContact CB-CE2 4.01Å; C189-F198 HydrophobicContact CB-CG 3.8Å; C189-F198 VanDerWaalsContact N-CD1 3.35Å; N194-F198 WeakPolarHBondContact O-CB 3.5Å; N194-F198 PolarHBondContact OD1-N 2.88Å; T195-F198 PolarHBondContact O-N 3.09Å; F198-K200 VanDerWaalsContact C-N 3.35Å; F198-K200 PolarHBondContact O-N 2.98Å; F198-E201 PolarHBondContact O-N 3.4Å; F198-M202 HydrophobicContact CD1-CG 4.06Å; F198-M202 HydrophobicContact CD2-CE 4.45Å; F198-M202 HydrophobicContact CE1-CG 3.81Å; F198-M202 HydrophobicContact CE2-CE 4.17Å; F198-M202 HydrophobicContact CE2-CG 4.32Å; F198-M202 HydrophobicContact CE2-SD 4.41Å; F198-M202 HydrophobicContact CG-CG 4.45Å; F198-M202 HydrophobicContact CZ-CG 3.95Å; F198-M202 HydrophobicContact CZ-SD 4.25Å; F198-M202 VanDerWaalsContact O-CG 3.28Å; F198-M202 WeakPolarHBondContact O-CG 3.39Å; F198-M202 PolarHBondContact O-N 3.22Å
199	Q	95.4	Very high	92.4	Very high	24 Å²	24	46.2 Å²	46.2	11%	0.112	24%	0.237	C	C	.	.	H	α-helix	trans	-59.9	-45.7	178.9	-70.4	-164.8	1.2	0	0	111.3	V184 F187 T195 E201 M202 L203 I209	V184-Q199 PolarHBondContact O-NE2 2.83Å; F187-Q199 HydrophobicContact CD1-CG 4.12Å; F187-Q199 WeakPolarHBondContact O-CG 3.45Å; F187-Q199 PolarHBondContact O-NE2 2.83Å; T195-Q199 VanDerWaalsContact CG2-CD 3.42Å; T195-Q199 HydrophobicContact CG2-CG 3.79Å; T195-Q199 VanDerWaalsContact O-CB 3.26Å; T195-Q199 WeakPolarHBondContact O-CB 3.25Å; T195-Q199 VanDerWaalsContact O-CG 3.31Å; T195-Q199 WeakPolarHBondContact O-CG 3.15Å; T195-Q199 PolarHBondContact O-N 2.81Å; Q199-E201 VanDerWaalsContact C-N 3.26Å; Q199-E201 PolarHBondContact O-N 3.43Å; Q199-M202 PolarHBondContact O-N 3.45Å; Q199-M202 VanDerWaalsContact O-N 3.15Å; Q199-L203 VanDerWaalsContact O-CB 3.31Å; Q199-L203 WeakPolarHBondContact O-CB 3.4Å; Q199-L203 WeakPolarHBondContact O-CG 3.34Å; Q199-L203 PolarHBondContact O-N 3.31Å; Q199-I209 HydrophobicContact CB-CD1 3.98Å; Q199-I209 HydrophobicContact CG-CD1 4.02Å
200	K	94.5	Very high	92	Very high	160 Å²	160	47.1 Å²	47.1	70%	0.696	24%	0.243	S	C	*	.	H	α-helix	trans	-55.4	-43.2	178.5	-175.9	176.7	-178.5	176.8	0	111.9	D196 F198 R204	D196-K200 WeakPolarHBondContact O-CB 3.34Å; D196-K200 PolarHBondContact O-N 3.07Å; F198-K200 VanDerWaalsContact C-N 3.35Å; F198-K200 PolarHBondContact O-N 2.98Å; K200-R204 WeakPolarHBondContact O-CB 3.36Å; K200-R204 PolarHBondContact O-N 2.8Å
201	E	95.8	Very high	91.7	Very high	34 Å²	34	49.7 Å²	49.7	16%	0.159	25%	0.252	C	S	.	.	H	α-helix	trans	-71.4	-42.5	177.2	-176.1	60.9	-172.8	0	0	112.3	Q131 P163 I197 F198 Q199 L203 R204 M205	Q131-E201 WeakPolarHBondContact CG-OE1 3.39Å; Q131-E201 PolarHBondContact NE2-OE1 3.44Å; P163-E201 HydrophobicContact CB-CB 4.09Å; P163-E201 HydrophobicContact CB-CG 4.2Å; P163-E201 HydrophobicContact CG-CB 3.67Å; P163-E201 HydrophobicContact CG-CG 4.1Å; I197-E201 WeakPolarHBondContact O-CB 3.3Å; I197-E201 PolarHBondContact O-N 2.79Å; I197-E201 VanDerWaalsContact O-N 3.08Å; F198-E201 PolarHBondContact O-N 3.4Å; Q199-E201 VanDerWaalsContact C-N 3.26Å; Q199-E201 PolarHBondContact O-N 3.43Å; E201-L203 VanDerWaalsContact C-N 3.34Å; E201-L203 PolarHBondContact O-N 2.93Å; E201-R204 WeakPolarHBondContact O-CB 3.2Å; E201-R204 PolarHBondContact O-N 3.03Å; E201-R204 IonicContact OE1-CZ 3.39Å; E201-R204 IonicContact OE1-NE 3.8Å; E201-R204 PolarHBondContact OE1-NE 3.16Å; E201-R204 IonicContact OE1-NH2 3.47Å; E201-R204 PolarHBondContact OE1-NH2 3.2Å; E201-R204 IonicContact OE2-CZ 2.81Å; E201-R204 IonicContact OE2-NE 3.4Å; E201-R204 PolarHBondContact OE2-NE 3.33Å; E201-R204 IonicContact OE2-NH2 3.33Å; E201-M205 HydrophobicContact CG-CG 4.5Å; E201-M205 WeakPolarHBondContact O-CB 3.39Å; E201-M205 VanDerWaalsContact O-CG 3.3Å; E201-M205 WeakPolarHBondContact O-CG 3.39Å; E201-M205 PolarHBondContact O-N 3.34Å
202	M	96.4	Very high	91.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.7	-41.8	178	-66.6	-49.4	108.3	0	0	111.5	L160 L175 F187 F198 Q199 M205 G206 I207	L160-M202 HydrophobicContact CD1-SD 4.17Å; L175-M202 HydrophobicContact CD1-SD 3.48Å; L175-M202 WeakPolarHBondContact CD1-SD 3.47Å; L175-M202 HydrophobicContact CD2-SD 4.13Å; L175-M202 HydrophobicContact CG-SD 4.38Å; F187-M202 HydrophobicContact CE1-CB 3.83Å; F187-M202 HydrophobicContact CE1-CG 3.83Å; F187-M202 HydrophobicContact CZ-CB 4.32Å; F187-M202 HydrophobicContact CZ-CG 4.02Å; F198-M202 HydrophobicContact CD1-CG 4.06Å; F198-M202 HydrophobicContact CD2-CE 4.45Å; F198-M202 HydrophobicContact CE1-CG 3.81Å; F198-M202 HydrophobicContact CE2-CE 4.17Å; F198-M202 HydrophobicContact CE2-CG 4.32Å; F198-M202 HydrophobicContact CE2-SD 4.41Å; F198-M202 HydrophobicContact CG-CG 4.45Å; F198-M202 HydrophobicContact CZ-CG 3.95Å; F198-M202 HydrophobicContact CZ-SD 4.25Å; F198-M202 VanDerWaalsContact O-CG 3.28Å; F198-M202 WeakPolarHBondContact O-CG 3.39Å; F198-M202 PolarHBondContact O-N 3.22Å; Q199-M202 PolarHBondContact O-N 3.45Å; Q199-M202 VanDerWaalsContact O-N 3.15Å; M202-M205 CarbonylContact O-C 3.56Å; M202-M205 PolarHBondContact O-N 2.86Å; M202-G206 PolarHBondContact O-N 2.9Å; M202-G206 VanDerWaalsContact O-N 3.09Å; M202-I207 HydrophobicContact CB-CB 3.99Å; M202-I207 HydrophobicContact CB-CG1 4.02Å; M202-I207 WeakPolarHBondContact O-CB 3.46Å; M202-I207 PolarHBondContact O-N 2.6Å; M202-I207 HydrophobicContact SD-CG1 4.36Å
203	L	95.1	Very high	90.6	Very high	31 Å²	31	48.7 Å²	48.7	16%	0.162	24%	0.24	C	C	.	.	H	α-helix	trans	-61.6	-44.9	171.9	-70.4	167.5	0	0	0	111.5	T117 Q199 E201 M205 G206 I209	T117-L203 HydrophobicContact CG2-CB 4.43Å; T117-L203 HydrophobicContact CG2-CD1 3.97Å; T117-L203 HydrophobicContact CG2-CD2 3.59Å; T117-L203 HydrophobicContact CG2-CG 4.18Å; Q199-L203 VanDerWaalsContact O-CB 3.31Å; Q199-L203 WeakPolarHBondContact O-CB 3.4Å; Q199-L203 WeakPolarHBondContact O-CG 3.34Å; Q199-L203 PolarHBondContact O-N 3.31Å; E201-L203 VanDerWaalsContact C-N 3.34Å; E201-L203 PolarHBondContact O-N 2.93Å; L203-M205 PolarHBondContact O-N 3.23Å; L203-G206 PolarHBondContact O-N 2.77Å; L203-I209 HydrophobicContact CD1-CD1 4.14Å; L203-I209 HydrophobicContact CD2-CB 4.1Å; L203-I209 HydrophobicContact CD2-CD1 3.65Å; L203-I209 HydrophobicContact CD2-CG1 3.83Å; L203-I209 HydrophobicContact CG-CD1 3.59Å; L203-I209 HydrophobicContact CG-CG1 4.32Å
204	R	95.6	Very high	90.2	Very high	89 Å²	89	44.7 Å²	44.7	34%	0.336	22%	0.219	S	C	.	.	H	α-helix	trans	-57.8	-39.8	175.2	-171.1	-175.8	78.9	94.8	2.9	111.1	Q115 P129 V130 K200 E201 G206	Q115-R204 PolarHBondContact NE2-O 3.02Å; P129-R204 HydrophobicContact CB-CG 4.48Å; P129-R204 VanDerWaalsContact CB-NH1 3.31Å; P129-R204 VanDerWaalsContact CG-O 3.3Å; P129-R204 WeakPolarHBondContact CG-O 3.5Å; V130-R204 PolarHBondContact O-NH2 3.19Å; K200-R204 WeakPolarHBondContact O-CB 3.36Å; K200-R204 PolarHBondContact O-N 2.8Å; E201-R204 WeakPolarHBondContact O-CB 3.2Å; E201-R204 PolarHBondContact O-N 3.03Å; E201-R204 IonicContact OE1-CZ 3.39Å; E201-R204 IonicContact OE1-NE 3.8Å; E201-R204 PolarHBondContact OE1-NE 3.16Å; E201-R204 IonicContact OE1-NH2 3.47Å; E201-R204 PolarHBondContact OE1-NH2 3.2Å; E201-R204 IonicContact OE2-CZ 2.81Å; E201-R204 IonicContact OE2-NE 3.4Å; E201-R204 PolarHBondContact OE2-NE 3.33Å; E201-R204 IonicContact OE2-NH2 3.33Å; R204-G206 PolarHBondContact O-N 3.24Å
205	M	96.1	Very high	89.5	Confident	5 Å²	5	43.7 Å²	43.7	3%	0.025	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	3.4	178	-63.3	-54	-65.6	0	0	113.6	I113 P129 Q131 L160 R172 E201 M202 L203	I113-M205 HydrophobicContact CD1-CE 4.03Å; P129-M205 HydrophobicContact CB-SD 4.15Å; P129-M205 HydrophobicContact CG-SD 4.32Å; Q131-M205 HydrophobicContact CG-CE 4.04Å; Q131-M205 HydrophobicContact CG-CG 4.27Å; Q131-M205 HydrophobicContact CG-SD 3.93Å; L160-M205 HydrophobicContact CD1-CB 4.21Å; L160-M205 HydrophobicContact CD2-CB 4.07Å; L160-M205 HydrophobicContact CD2-CE 3.68Å; L160-M205 HydrophobicContact CD2-CG 4.11Å; R172-M205 VanDerWaalsContact CZ-O 3.3Å; R172-M205 PolarHBondContact NH1-O 3.28Å; R172-M205 PolarHBondContact NH2-O 2.75Å; E201-M205 HydrophobicContact CG-CG 4.5Å; E201-M205 WeakPolarHBondContact O-CB 3.39Å; E201-M205 VanDerWaalsContact O-CG 3.3Å; E201-M205 WeakPolarHBondContact O-CG 3.39Å; E201-M205 PolarHBondContact O-N 3.34Å; M202-M205 CarbonylContact O-C 3.56Å; M202-M205 PolarHBondContact O-N 2.86Å; L203-M205 PolarHBondContact O-N 3.23Å
206	G	94.1	Very high	88.5	Confident	8 Å²	8	46.5 Å²	46.5	8%	0.082	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	25	173.8	0	0	0	0	0	115	F114 M202 L203 R204	F114-G206 VanDerWaalsContact O-CA 3.24Å; F114-G206 WeakPolarHBondContact O-CA 3.39Å; M202-G206 PolarHBondContact O-N 2.9Å; M202-G206 VanDerWaalsContact O-N 3.09Å; L203-G206 PolarHBondContact O-N 2.77Å; R204-G206 PolarHBondContact O-N 3.24Å
207	I	95.2	Very high	87.4	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.211	C	C	.	.			trans	-73.9	124.4	162.6	-58	-60.3	0	0	0	107.4	L160 R172 L175 A179 F187 M202 I209	L160-I207 HydrophobicContact CD1-CD1 3.99Å; L160-I207 HydrophobicContact CD1-CG1 4.08Å; R172-I207 HydrophobicContact CG-CD1 3.86Å; L175-I207 HydrophobicContact CB-CD1 3.93Å; L175-I207 HydrophobicContact CB-CG1 4.29Å; A179-I207 HydrophobicContact CB-CG2 3.76Å; F187-I207 HydrophobicContact CE1-CG2 4.41Å; F187-I207 HydrophobicContact CZ-CG2 4.19Å; M202-I207 HydrophobicContact CB-CB 3.99Å; M202-I207 HydrophobicContact CB-CG1 4.02Å; M202-I207 WeakPolarHBondContact O-CB 3.46Å; M202-I207 PolarHBondContact O-N 2.6Å; M202-I207 HydrophobicContact SD-CG1 4.36Å; I207-I209 HydrophobicContact CG2-CG1 4.38Å
208	H	92.6	Very high	85.9	Confident	25 Å²	25	44.8 Å²	44.8	12%	0.116	21%	0.211	C	C	.	.			trans	-78.2	122.7	173.5	177.8	-133.2	0	0	0	109.7	Y43 F116 Q176 A179	Y43-H208 AromaticContact CE1-CE1 3.79Å; Y43-H208 AromaticContact CE1-ND1 3.81Å; Y43-H208 AromaticContact CZ-CE1 3.91Å; Y43-H208 AromaticContact CZ-ND1 3.49Å; Y43-H208 PolarHBondContact OH-CE1 2.83Å; Y43-H208 PolarHBondContact OH-ND1 3.38Å; F116-H208 VanDerWaalsContact CB-CD2 3.48Å; F116-H208 WeakPolarHBondContact CB-CD2 3.43Å; F116-H208 HydrophobicContact CD1-CB 4.19Å; F116-H208 AromaticContact CD1-CD2 3.43Å; F116-H208 VanDerWaalsContact CD1-CD2 3.43Å; F116-H208 WeakPolarHBondContact CD1-CD2 3.3Å; F116-H208 AromaticContact CD1-CG 3.81Å; F116-H208 AromaticContact CD1-NE2 3.99Å; F116-H208 HydrophobicContact CD2-CB 3.62Å; F116-H208 HydrophobicContact CE1-CB 4.32Å; F116-H208 HydrophobicContact CE2-CB 3.77Å; F116-H208 HydrophobicContact CG-CB 3.86Å; F116-H208 AromaticContact CG-CD2 3.41Å; F116-H208 VanDerWaalsContact CG-CD2 3.41Å; F116-H208 WeakPolarHBondContact CG-CD2 3.39Å; F116-H208 AromaticContact CG-CG 3.82Å; F116-H208 HydrophobicContact CZ-CB 4.11Å; Q176-H208 PolarHBondContact NE2-O 2.78Å; A179-H208 WeakPolarHBondContact CB-O 3.47Å
209	I	91.8	Very high	84.3	Confident	15 Å²	15	50.5 Å²	50.5	8%	0.077	24%	0.238	C	C	.	.			trans	-115.1	104.7	175.1	-51.7	170.9	0	0	0	106.9	A179 V184 F187 Q199 L203 I207	A179-I209 HydrophobicContact CB-CG1 4.13Å; V184-I209 VanDerWaalsContact CA-CG2 3.47Å; V184-I209 HydrophobicContact CB-CG2 3.95Å; V184-I209 HydrophobicContact CG2-CG2 4.21Å; F187-I209 HydrophobicContact CB-CG2 4.23Å; F187-I209 HydrophobicContact CD1-CD1 3.48Å; F187-I209 VanDerWaalsContact CD1-CD1 3.48Å; F187-I209 HydrophobicContact CD1-CG1 3.76Å; F187-I209 HydrophobicContact CD1-CG2 4.3Å; F187-I209 HydrophobicContact CE1-CD1 3.7Å; F187-I209 HydrophobicContact CE1-CG1 3.94Å; Q199-I209 HydrophobicContact CB-CD1 3.98Å; Q199-I209 HydrophobicContact CG-CD1 4.02Å; L203-I209 HydrophobicContact CD1-CD1 4.14Å; L203-I209 HydrophobicContact CD2-CB 4.1Å; L203-I209 HydrophobicContact CD2-CD1 3.65Å; L203-I209 HydrophobicContact CD2-CG1 3.83Å; L203-I209 HydrophobicContact CG-CD1 3.59Å; L203-I209 HydrophobicContact CG-CG1 4.32Å; I207-I209 HydrophobicContact CG2-CG1 4.38Å
210	P	84.7	Confident	82	Confident	20 Å²	20	58 Å²	58	13%	0.13	27%	0.273	C	S	.	.			trans	-74.9	143.6	-178.2	30	-33.7	0	0	0	111.8	A179 G183 V184 K212	A179-P210 WeakPolarHBondContact O-CD 3.41Å; G183-P210 CarbonylContact C-O 3.6Å; G183-P210 WeakPolarHBondContact CA-O 3.45Å; V184-P210 PolarHBondContact N-O 2.84Å; P210-K212 VanDerWaalsContact C-N 3.28Å; P210-K212 HydrophobicContact CB-CD 4.4Å; P210-K212 HydrophobicContact CB-CG 4.03Å; P210-K212 HydrophobicContact CG-CD 4.24Å; P210-K212 HydrophobicContact CG-CG 3.97Å; P210-K212 PolarHBondContact O-N 3.35Å
211	E	82.3	Confident	80.2	Confident	102 Å²	102	55.8 Å²	55.8	48%	0.477	27%	0.269	S	S	.	.	S	Bend	trans	-79.8	76.7	170.1	-64.5	-173.7	179.6	0	0	110.1	V184 L322	V184-E211 HydrophobicContact CB-CG 4.48Å; V184-E211 HydrophobicContact CG1-CB 4.36Å; V184-E211 HydrophobicContact CG1-CG 4.16Å; E211-L322 HydrophobicContact CG-CD1 4.38Å
212	K	76.1	Confident	78.2	Confident	52 Å²	52	55.9 Å²	55.9	23%	0.226	28%	0.276	C	S	.	.	S	Bend	trans	-142.6	162.7	174.3	61.7	170.4	-173.5	160	0	110.2	I180 P210	I180-K212 WeakPolarHBondContact O-CE 3.39Å; I180-K212 PolarHBondContact O-NZ 3.36Å; P210-K212 VanDerWaalsContact C-N 3.28Å; P210-K212 HydrophobicContact CB-CD 4.4Å; P210-K212 HydrophobicContact CB-CG 4.03Å; P210-K212 HydrophobicContact CG-CD 4.24Å; P210-K212 HydrophobicContact CG-CG 3.97Å; P210-K212 PolarHBondContact O-N 3.35Å
213	D	74.7	Confident	76.3	Confident	89 Å²	89	60.5 Å²	60.5	48%	0.476	29%	0.294	S	S	.	.			trans	-63.1	157	168	-66.6	-39.7	0	0	0	110.6
214	A	77.9	Confident	74.5	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.311	C	S	.	.			trans	-66.5	144.2	178.1	0	0	0	0	0	110.2	N181 F186 W216 E217	N181-A214 CarbonylContact O-C 3.47Å; N181-A214 WeakPolarHBondContact O-CA 3.4Å; N181-A214 WeakPolarHBondContact O-CB 3.38Å; F186-A214 HydrophobicContact CD2-CB 3.56Å; F186-A214 HydrophobicContact CE2-CB 3.98Å; F186-A214 HydrophobicContact CG-CB 4.29Å; A214-W216 HydrophobicContact CB-CD2 3.53Å; A214-W216 HydrophobicContact CB-CE3 3.84Å; A214-W216 HydrophobicContact CB-CG 4.2Å; A214-W216 HydrophobicContact CB-CH2 3.67Å; A214-W216 HydrophobicContact CB-CZ2 3.29Å; A214-W216 HydrophobicContact CB-CZ3 3.91Å; A214-W216 PolarHBondContact O-N 3.09Å; A214-W216 VanDerWaalsContact O-N 3.13Å; A214-E217 HydrophobicContact CB-CG 4.25Å; A214-E217 WeakPolarHBondContact O-CB 3.35Å; A214-E217 PolarHBondContact O-N 3.27Å
215	S	75.2	Confident	72.8	Confident	26 Å²	26	67.9 Å²	67.9	18%	0.182	33%	0.331	C	S	.	.	H	α-helix	trans	-57	-34	-177.1	58.1	0	0	0	0	112.5	N181 E217 L218 E219	N181-S215 PolarHBondContact O-N 3.09Å; S215-E217 PolarHBondContact O-N 3.25Å; S215-L218 PolarHBondContact O-N 3.09Å; S215-L218 VanDerWaalsContact O-N 3.11Å; S215-E219 PolarHBondContact O-N 2.81Å
216	W	67.5	Low	71	Confident	89 Å²	89	74.3 Å²	74.3	34%	0.337	37%	0.365	S	S	.	.	H	α-helix	trans	-74	-7	177.9	62.9	74.7	0	0	0	114.5	N181 A182 F186 A214 A222 Y223	N181-W216 HydrophobicContact CB-CZ3 4.27Å; A182-W216 VanDerWaalsContact CA-CH2 3.41Å; A182-W216 HydrophobicContact CB-CH2 3.56Å; A182-W216 HydrophobicContact CB-CZ3 4.06Å; F186-W216 HydrophobicContact CB-CH2 4.03Å; F186-W216 HydrophobicContact CB-CZ2 3.75Å; F186-W216 HydrophobicContact CD1-CZ2 4.41Å; F186-W216 HydrophobicContact CD2-CZ2 4.32Å; F186-W216 AromaticContact CG-CZ2 3.93Å; F186-W216 HydrophobicContact CG-CZ2 3.93Å; A214-W216 HydrophobicContact CB-CD2 3.53Å; A214-W216 HydrophobicContact CB-CE3 3.84Å; A214-W216 HydrophobicContact CB-CG 4.2Å; A214-W216 HydrophobicContact CB-CH2 3.67Å; A214-W216 HydrophobicContact CB-CZ2 3.29Å; A214-W216 HydrophobicContact CB-CZ3 3.91Å; A214-W216 PolarHBondContact O-N 3.09Å; A214-W216 VanDerWaalsContact O-N 3.13Å; W216-A222 HydrophobicContact CB-CB 4.36Å; W216-A222 WeakPolarHBondContact O-CB 3.5Å; W216-Y223 AromaticContact CD1-CZ 3.93Å; W216-Y223 VanDerWaalsContact CD1-OH 3.24Å
217	E	64.7	Low	69.3	Low	93 Å²	93	80.7 Å²	80.7	44%	0.435	40%	0.396	S	S	.	.	H	α-helix	trans	-88.1	-15.3	169.1	-59.3	-73.6	-173.2	0	0	111.8	F186 A214 S215 Y223	F186-E217 HydrophobicContact CE2-CG 4.36Å; A214-E217 HydrophobicContact CB-CG 4.25Å; A214-E217 WeakPolarHBondContact O-CB 3.35Å; A214-E217 PolarHBondContact O-N 3.27Å; S215-E217 PolarHBondContact O-N 3.25Å; E217-Y223 PolarHBondContact OE1-OH 3.11Å; E217-Y223 PolarHBondContact OE2-OH 3.33Å
218	L	62.7	Low	67.6	Low	79 Å²	79	88 Å²	88	41%	0.414	43%	0.43	S	S	.	.	H	α-helix	trans	-99.3	-27.3	-178.1	-58.2	174.5	0	0	0	111.9	S215 E220	S215-L218 PolarHBondContact O-N 3.09Å; S215-L218 VanDerWaalsContact O-N 3.11Å; L218-E220 PolarHBondContact O-N 2.85Å
219	E	62	Low	66.5	Low	120 Å²	120	89.9 Å²	89.9	56%	0.561	45%	0.447	S	S	*	.	S	Bend	trans	-70.8	117.8	176.8	-75	171.8	-158.3	0	0	111.7	S215 N221 A222	S215-E219 PolarHBondContact O-N 2.81Å; E219-N221 PolarHBondContact O-N 2.76Å; E219-A222 HydrophobicContact CB-CB 3.93Å; E219-A222 WeakPolarHBondContact O-CB 3.43Å; E219-A222 PolarHBondContact O-N 2.92Å; E219-A222 VanDerWaalsContact O-N 3.16Å
220	E	48	Very low	66	Low	182 Å²	182	91.9 Å²	91.9	85%	0.85	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	130.9	171.1	-76.5	-171.6	171.6	0	0	110.3	L218 A222	L218-E220 PolarHBondContact O-N 2.85Å; E220-A222 VanDerWaalsContact C-N 3.27Å; E220-A222 PolarHBondContact O-N 2.8Å
221	N	56.6	Low	66	Low	112 Å²	112	95.1 Å²	95.1	60%	0.599	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	17.1	-179.2	-52.5	-58.5	0	0	0	115.9	E219 Y223 Q224	E219-N221 PolarHBondContact O-N 2.76Å; N221-Y223 PolarHBondContact O-N 3.45Å; N221-Q224 HydrophobicContact CB-CB 3.97Å; N221-Q224 VanDerWaalsContact O-CB 3.25Å; N221-Q224 WeakPolarHBondContact O-CB 3.45Å; N221-Q224 PolarHBondContact O-N 2.76Å
222	A	52.4	Low	66.4	Low	37 Å²	37	95.5 Å²	95.5	31%	0.306	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-24.5	178	0	0	0	0	0	115	W216 E219 E220	W216-A222 HydrophobicContact CB-CB 4.36Å; W216-A222 WeakPolarHBondContact O-CB 3.5Å; E219-A222 HydrophobicContact CB-CB 3.93Å; E219-A222 WeakPolarHBondContact O-CB 3.43Å; E219-A222 PolarHBondContact O-N 2.92Å; E219-A222 VanDerWaalsContact O-N 3.16Å; E220-A222 VanDerWaalsContact C-N 3.27Å; E220-A222 PolarHBondContact O-N 2.8Å
223	Y	56.2	Low	67.2	Low	97 Å²	97	93 Å²	93	38%	0.38	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	3.4	179.8	-53.7	-68	0	0	0	114.2	W216 E217 N221 E225 L226 L227	W216-Y223 AromaticContact CD1-CZ 3.93Å; W216-Y223 VanDerWaalsContact CD1-OH 3.24Å; E217-Y223 PolarHBondContact OE1-OH 3.11Å; E217-Y223 PolarHBondContact OE2-OH 3.33Å; N221-Y223 PolarHBondContact O-N 3.45Å; Y223-E225 PolarHBondContact O-N 3.33Å; Y223-L226 HydrophobicContact CD1-CD1 3.67Å; Y223-L226 HydrophobicContact CG-CD1 4.48Å; Y223-L226 WeakPolarHBondContact O-CA 3.1Å; Y223-L226 WeakPolarHBondContact O-CB 3.48Å; Y223-L226 PolarHBondContact O-N 2.91Å; Y223-L227 PolarHBondContact O-N 3.09Å
224	Q	58.3	Low	68.1	Low	110 Å²	110	91.6 Å²	91.6	51%	0.514	45%	0.45	S	S	.	.	H	α-helix	trans	-62.2	-33	-175.2	-170.4	175	9.8	0	0	112.1	N221 L226 L227	N221-Q224 HydrophobicContact CB-CB 3.97Å; N221-Q224 VanDerWaalsContact O-CB 3.25Å; N221-Q224 WeakPolarHBondContact O-CB 3.45Å; N221-Q224 PolarHBondContact O-N 2.76Å; Q224-L226 VanDerWaalsContact C-N 3.33Å; Q224-L227 PolarHBondContact O-N 3.06Å
225	E	59.8	Low	68.6	Low	164 Å²	164	92.9 Å²	92.9	77%	0.766	46%	0.458	S	S	*	.	H	α-helix	trans	-67.4	-31	172.7	-63.1	-174.2	174.2	0	0	112.7	Y223 L227 Q228	Y223-E225 PolarHBondContact O-N 3.33Å; E225-L227 VanDerWaalsContact C-N 3.25Å; E225-L227 PolarHBondContact O-N 3Å; E225-Q228 PolarHBondContact O-N 3.09Å
226	L	57.9	Low	69.1	Low	140 Å²	140	101.5 Å²	101.5	73%	0.733	49%	0.487	S	S	*	.	H	α-helix	trans	-72	-19.5	176.1	-60.9	179.4	0	0	0	112.9	Y223 Q224	Y223-L226 HydrophobicContact CD1-CD1 3.67Å; Y223-L226 HydrophobicContact CG-CD1 4.48Å; Y223-L226 WeakPolarHBondContact O-CA 3.1Å; Y223-L226 WeakPolarHBondContact O-CB 3.48Å; Y223-L226 PolarHBondContact O-N 2.91Å; Q224-L226 VanDerWaalsContact C-N 3.33Å
227	L	58.2	Low	70.2	Confident	142 Å²	142	107 Å²	107	74%	0.743	51%	0.508	S	S	*	.	H	α-helix	trans	-82.2	-17.2	173.9	-64.1	172.6	0	0	0	112.1	Y223 Q224 E225 S229	Y223-L227 PolarHBondContact O-N 3.09Å; Q224-L227 PolarHBondContact O-N 3.06Å; E225-L227 VanDerWaalsContact C-N 3.25Å; E225-L227 PolarHBondContact O-N 3Å; L227-S229 PolarHBondContact O-N 2.69Å
228	Q	61.1	Low	71.5	Confident	153 Å²	153	104.1 Å²	104.1	72%	0.715	50%	0.497	S	S	*	.	S	Bend	trans	-75	107.4	173.9	-70.1	-171.8	-1	0	0	109.8	E225 H230	E225-Q228 PolarHBondContact O-N 3.09Å; Q228-H230 PolarHBondContact O-N 3.11Å
229	S	67.6	Low	72.8	Confident	66 Å²	66	106.1 Å²	106.1	46%	0.462	50%	0.504	S	S	.	.			trans	-71.7	125.2	172.9	-72.4	0	0	0	0	109.6	L227 D231 R257	L227-S229 PolarHBondContact O-N 2.69Å; S229-D231 PolarHBondContact O-N 3.06Å; S229-D231 VanDerWaalsContact O-N 3.11Å; S229-R257 VanDerWaalsContact CB-NH1 3.27Å; S229-R257 PolarHBondContact OG-NH1 3.02Å
230	H	81.2	Confident	74.3	Confident	57 Å²	57	101 Å²	101	26%	0.264	48%	0.481	S	S	.	.			trans	-53	117.6	175.3	-169.9	89.3	0	0	0	111.2	Q228 R232 D234 R257 G265	Q228-H230 PolarHBondContact O-N 3.11Å; H230-R232 PolarHBondContact NE2-O 2.87Å; H230-D234 IonicContact CD2-OD2 2.64Å; H230-D234 IonicContact CE1-OD2 3.78Å; H230-D234 IonicContact NE2-OD1 3.04Å; H230-D234 IonicContact NE2-OD2 3.56Å; H230-D234 PolarHBondContact NE2-OD2 2.85Å; H230-R257 WeakPolarHBondContact O-CD 3.35Å; H230-R257 WeakPolarHBondContact O-CG 3.25Å; H230-G265 PolarHBondContact CD2-N 3.44Å
231	D	85.7	Confident	76.3	Confident	87 Å²	87	102.2 Å²	102.2	47%	0.465	48%	0.484	S	S	.	.			trans	-123.3	20.3	-169.4	63.6	-12.1	0	0	0	112.7	S229 V255	S229-D231 PolarHBondContact O-N 3.06Å; S229-D231 VanDerWaalsContact O-N 3.11Å; D231-V255 WeakPolarHBondContact O-CG2 3.33Å
232	R	91.7	Very high	77.9	Confident	111 Å²	111	103.7 Å²	103.7	42%	0.419	49%	0.485	S	S	.	.			trans	-111.2	145.5	-178	-177.9	175.5	-167.9	-131.9	5.9	113.3	H230 R244 D245 G265	H230-R232 PolarHBondContact NE2-O 2.87Å; R232-R244 HydrophobicContact CG-CB 4.22Å; R232-D245 WeakPolarHBondContact CD-OD1 3.28Å; R232-D245 WeakPolarHBondContact CG-OD1 3.38Å; R232-D245 IonicContact NE-OD1 2.66Å; R232-D245 PolarHBondContact NE-OD1 3.04Å; R232-D245 VanDerWaalsContact NE-OD1 3.08Å; R232-G265 CarbonylContact O-C 3.54Å; R232-G265 VanDerWaalsContact O-CA 3.3Å; R232-G265 WeakPolarHBondContact O-CA 3.49Å
233	C	92.9	Very high	79.8	Confident	0 Å²	0	103.4 Å²	103.4	0%	0	49%	0.485	C	S	.	.			trans	-87.1	109.7	173.7	-178.8	0	0	0	0	112.9	V235 R244 H267	C233-V235 WeakPolarHBondContact SG-CG2 3.16Å; C233-R244 HydrophobicContact CB-CB 4.47Å; C233-R244 PolarHBondContact N-O 2.81Å; C233-R244 PolarHBondContact O-NH1 3.22Å; C233-H267 VanDerWaalsContact CB-CE1 3.43Å; C233-H267 WeakPolarHBondContact CB-CE1 3.47Å; C233-H267 WeakPolarHBondContact CB-ND1 2.84Å
234	D	92.7	Very high	81.6	Confident	58 Å²	58	102.6 Å²	102.6	31%	0.31	48%	0.482	S	S	.	.			trans	-97.4	0.4	-176.5	-54.3	-59.7	0	0	0	114.1	H230 S264 G265	H230-D234 IonicContact CD2-OD2 2.64Å; H230-D234 IonicContact CE1-OD2 3.78Å; H230-D234 IonicContact NE2-OD1 3.04Å; H230-D234 IonicContact NE2-OD2 3.56Å; H230-D234 PolarHBondContact NE2-OD2 2.85Å; D234-S264 WeakPolarHBondContact OD2-CA 3.5Å; D234-G265 PolarHBondContact N-O 3.33Å; D234-G265 PolarHBondContact OD2-N 2.92Å
235	V	88.9	Confident	83.2	Confident	27 Å²	27	102.2 Å²	102.2	16%	0.164	48%	0.483	C	S	.	.	S	Bend	trans	-64.4	143.5	177.3	-62.8	0	0	0	0	110.7	C233 R237 R244 T266 C270 W280	C233-V235 WeakPolarHBondContact SG-CG2 3.16Å; V235-R237 WeakPolarHBondContact CG2-O 3.3Å; V235-R237 PolarHBondContact O-N 3.32Å; V235-R237 VanDerWaalsContact O-N 3.09Å; V235-R244 PolarHBondContact O-NH1 2.87Å; V235-R244 PolarHBondContact O-NH2 3.32Å; V235-T266 VanDerWaalsContact CG1-OG1 3.3Å; V235-T266 WeakPolarHBondContact CG1-OG1 3.48Å; V235-C270 HydrophobicContact CG2-CB 3.53Å; V235-W280 HydrophobicContact CG1-CZ2 4.04Å
236	R	85.8	Confident	84.7	Confident	208 Å²	208	97 Å²	97	79%	0.785	46%	0.457	S	S	*	.	S	Bend	trans	-51.8	-41.2	-174.2	-69.5	-175.9	175.6	-171.6	-2.8	112.7	R244	R236-R244 PolarHBondContact O-NH2 3.15Å; R236-R244 VanDerWaalsContact O-NH2 3.09Å
237	R	89.1	Confident	86.3	Confident	205 Å²	205	93.4 Å²	93.4	77%	0.774	44%	0.439	S	S	*	.	S	Bend	trans	-116.5	103.4	176.9	-66.7	-177.6	-179.8	175.4	-0.3	110.1	V235	V235-R237 WeakPolarHBondContact CG2-O 3.3Å; V235-R237 PolarHBondContact O-N 3.32Å; V235-R237 VanDerWaalsContact O-N 3.09Å
238	C	93.3	Very high	87.8	Confident	32 Å²	32	90.4 Å²	90.4	22%	0.216	42%	0.421	C	S	.	.			trans	-85.2	131.6	172.4	-179.2	0	0	0	0	109.7	C240 R244	C238-C240 PolarHBondContact SG-N 2.81Å; C238-C240 VanDerWaalsContact SG-N 3.43Å; C238-R244 HydrophobicContact CB-CG 3.91Å
239	H	90.6	Very high	89	Confident	121 Å²	121	87.5 Å²	87.5	56%	0.56	42%	0.415	S	S	*	.			trans	-94.2	-4.8	177.7	-63.6	-61.6	0	0	0	113.2	K241 W253 C270	H239-K241 PolarHBondContact O-N 3.49Å; H239-W253 WeakPolarHBondContact O-CH2 3.3Å; H239-C270 PolarHBondContact N-SG 2.93Å
240	C	92.4	Very high	89.8	Confident	12 Å²	12	91.8 Å²	91.8	8%	0.081	43%	0.433	C	S	.	.			trans	-74	115.3	178.1	-173.5	0	0	0	0	111	C238 K242 G243 W253	C238-C240 PolarHBondContact SG-N 2.81Å; C238-C240 VanDerWaalsContact SG-N 3.43Å; C240-K242 PolarHBondContact O-N 2.84Å; C240-G243 WeakPolarHBondContact CB-O 3.46Å; C240-G243 PolarHBondContact O-N 3.28Å; C240-G243 PolarHBondContact SG-O 3.42Å; C240-G243 VanDerWaalsContact SG-O 3.34Å; C240-W253 HydrophobicContact CB-CD2 4.4Å; C240-W253 HydrophobicContact CB-CE3 3.63Å; C240-W253 HydrophobicContact CB-CH2 4.41Å; C240-W253 HydrophobicContact CB-CZ3 3.66Å
241	K	90.9	Very high	90.3	Very high	208 Å²	208	90.4 Å²	90.4	90%	0.904	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-19.6	177.1	-64.5	-173.4	179.2	-177.5	0	113.4	H239 G243	H239-K241 PolarHBondContact O-N 3.49Å; K241-G243 VanDerWaalsContact C-N 3.29Å
242	K	90.3	Very high	90.5	Very high	142 Å²	142	92 Å²	92	62%	0.617	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	0.6	176.9	-65.8	-176.2	179.2	-177.3	0	113.1	C240 Y246	C240-K242 PolarHBondContact O-N 2.84Å; K242-Y246 HydrophobicContact CB-CD1 4Å; K242-Y246 HydrophobicContact CB-CD2 3.85Å; K242-Y246 HydrophobicContact CB-CE2 4.43Å; K242-Y246 HydrophobicContact CB-CG 3.59Å; K242-Y246 HydrophobicContact CD-CD1 4Å; K242-Y246 HydrophobicContact CD-CD2 3.64Å; K242-Y246 HydrophobicContact CD-CE1 3.73Å; K242-Y246 HydrophobicContact CD-CE2 3.34Å; K242-Y246 HydrophobicContact CD-CG 3.95Å; K242-Y246 HydrophobicContact CG-CD2 4.42Å; K242-Y246 HydrophobicContact CG-CG 4.43Å; K242-Y246 PolarHBondContact NZ-OH 2.75Å
243	G	90.9	Very high	90.6	Very high	31 Å²	31	89.1 Å²	89.1	32%	0.32	42%	0.421	S	S	.	.			trans	104.5	172.9	178.2	0	0	0	0	0	113.7	C240 K241	C240-G243 WeakPolarHBondContact CB-O 3.46Å; C240-G243 PolarHBondContact O-N 3.28Å; C240-G243 PolarHBondContact SG-O 3.42Å; C240-G243 VanDerWaalsContact SG-O 3.34Å; K241-G243 VanDerWaalsContact C-N 3.29Å
244	R	93.8	Very high	90.6	Very high	80 Å²	80	91.6 Å²	91.6	30%	0.302	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-25.9	-174.6	-69.1	176.3	175.6	-84.7	1.4	113.2	R232 C233 V235 R236 C238	R232-R244 HydrophobicContact CG-CB 4.22Å; C233-R244 HydrophobicContact CB-CB 4.47Å; C233-R244 PolarHBondContact N-O 2.81Å; C233-R244 PolarHBondContact O-NH1 3.22Å; V235-R244 PolarHBondContact O-NH1 2.87Å; V235-R244 PolarHBondContact O-NH2 3.32Å; R236-R244 PolarHBondContact O-NH2 3.15Å; R236-R244 VanDerWaalsContact O-NH2 3.09Å; C238-R244 HydrophobicContact CB-CG 3.91Å
245	D	91.8	Very high	90.6	Very high	102 Å²	102	89.4 Å²	89.4	55%	0.545	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-0.1	-177.1	-39.9	-63.1	0	0	0	111.6	R232 N247	R232-D245 WeakPolarHBondContact CD-OD1 3.28Å; R232-D245 WeakPolarHBondContact CG-OD1 3.38Å; R232-D245 IonicContact NE-OD1 2.66Å; R232-D245 PolarHBondContact NE-OD1 3.04Å; R232-D245 VanDerWaalsContact NE-OD1 3.08Å; D245-N247 PolarHBondContact O-N 2.89Å
246	Y	92.7	Very high	90.7	Very high	55 Å²	55	90.8 Å²	90.8	22%	0.216	43%	0.426	C	S	.	.			trans	-75.1	118.6	174.1	-179.8	-100.1	0	0	0	109.9	K242 E248 W253 H267	K242-Y246 HydrophobicContact CB-CD1 4Å; K242-Y246 HydrophobicContact CB-CD2 3.85Å; K242-Y246 HydrophobicContact CB-CE2 4.43Å; K242-Y246 HydrophobicContact CB-CG 3.59Å; K242-Y246 HydrophobicContact CD-CD1 4Å; K242-Y246 HydrophobicContact CD-CD2 3.64Å; K242-Y246 HydrophobicContact CD-CE1 3.73Å; K242-Y246 HydrophobicContact CD-CE2 3.34Å; K242-Y246 HydrophobicContact CD-CG 3.95Å; K242-Y246 HydrophobicContact CG-CD2 4.42Å; K242-Y246 HydrophobicContact CG-CG 4.43Å; K242-Y246 PolarHBondContact NZ-OH 2.75Å; Y246-E248 HydrophobicContact CE1-CB 3.71Å; Y246-E248 WeakPolarHBondContact CE1-OE2 3.2Å; Y246-E248 PolarHBondContact OH-OE2 3.45Å; Y246-W253 HydrophobicContact CD1-CB 3.86Å; Y246-W253 HydrophobicContact CD1-CG 4.23Å; Y246-W253 HydrophobicContact CE1-CB 3.75Å; Y246-W253 AromaticContact CE1-CD1 3.9Å; Y246-W253 AromaticContact CE1-CG 3.97Å; Y246-W253 HydrophobicContact CE1-CG 3.97Å; Y246-H267 PolarHBondContact O-NE2 3.44Å
247	N	90.7	Very high	91.1	Very high	65 Å²	65	86.4 Å²	86.4	35%	0.348	41%	0.409	S	S	.	.			trans	-125.9	121.7	177.9	-176.7	27	0	0	0	109.6	D245 E254 V255	D245-N247 PolarHBondContact O-N 2.89Å; N247-E254 WeakPolarHBondContact OD1-CA 3.34Å; N247-V255 HydrophobicContact CB-CG2 4.22Å; N247-V255 PolarHBondContact OD1-N 3.17Å
248	E	90.3	Very high	91.1	Very high	78 Å²	78	76.8 Å²	76.8	36%	0.364	37%	0.373	S	S	.	.			trans	-125.9	108.3	-179.3	179.2	174.4	-155.7	0	0	109.7	Y246 S251 W253 E254	Y246-E248 HydrophobicContact CE1-CB 3.71Å; Y246-E248 WeakPolarHBondContact CE1-OE2 3.2Å; Y246-E248 PolarHBondContact OH-OE2 3.45Å; E248-S251 WeakPolarHBondContact CB-OG 3.35Å; E248-S251 WeakPolarHBondContact O-CB 3.31Å; E248-S251 PolarHBondContact O-N 3.27Å; E248-S251 PolarHBondContact O-OG 2.98Å; E248-W253 HydrophobicContact CB-CB 4.3Å; E248-W253 PolarHBondContact N-O 3.43Å; E248-E254 WeakPolarHBondContact O-CA 3.26Å; E248-E254 WeakPolarHBondContact O-CB 3.38Å; E248-E254 PolarHBondContact O-N 3.22Å
249	P	86.9	Confident	90.9	Very high	92 Å²	92	80.9 Å²	80.9	60%	0.597	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	147.1	-177.7	-24.7	33.6	0	0	0	113.1	S251	P249-S251 PolarHBondContact O-N 2.85Å
250	N	84.1	Confident	90.7	Very high	157 Å²	157	77.4 Å²	77.4	84%	0.84	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	29.5	-178.6	-58.1	-49.1	0	0	0	113.7	E254	N250-E254 PolarHBondContact N-OE2 3.17Å
251	S	90.7	Very high	90.4	Very high	27 Å²	27	79.2 Å²	79.2	19%	0.189	39%	0.39	C	S	.	.	S	Bend	trans	-133.3	169.8	179.7	88.6	0	0	0	0	111.9	E248 P249 W253 E254	E248-S251 WeakPolarHBondContact CB-OG 3.35Å; E248-S251 WeakPolarHBondContact O-CB 3.31Å; E248-S251 PolarHBondContact O-N 3.27Å; E248-S251 PolarHBondContact O-OG 2.98Å; P249-S251 PolarHBondContact O-N 2.85Å; S251-W253 PolarHBondContact O-N 2.8Å; S251-W253 VanDerWaalsContact O-N 3.09Å; S251-W253 PolarHBondContact OG-N 3.27Å; S251-E254 WeakPolarHBondContact O-CB 3.31Å; S251-E254 PolarHBondContact O-N 2.77Å
252	K	91.1	Very high	90.1	Very high	121 Å²	121	70.8 Å²	70.8	53%	0.526	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-10.9	172.8	74.7	-177.9	176.4	-177.2	0	114	A269	K252-A269 HydrophobicContact CB-CB 4.07Å; K252-A269 HydrophobicContact CD-CB 4.42Å; K252-A269 HydrophobicContact CG-CB 4.23Å; K252-A269 WeakPolarHBondContact O-CB 3.37Å; K252-A269 PolarHBondContact O-N 3.3Å
253	W	93.8	Very high	89.9	Confident	50 Å²	50	68.1 Å²	68.1	19%	0.189	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	10.5	176.7	-49.9	122.2	0	0	0	112.8	H239 C240 Y246 E248 S251 H267 A269	H239-W253 WeakPolarHBondContact O-CH2 3.3Å; C240-W253 HydrophobicContact CB-CD2 4.4Å; C240-W253 HydrophobicContact CB-CE3 3.63Å; C240-W253 HydrophobicContact CB-CH2 4.41Å; C240-W253 HydrophobicContact CB-CZ3 3.66Å; Y246-W253 HydrophobicContact CD1-CB 3.86Å; Y246-W253 HydrophobicContact CD1-CG 4.23Å; Y246-W253 HydrophobicContact CE1-CB 3.75Å; Y246-W253 AromaticContact CE1-CD1 3.9Å; Y246-W253 AromaticContact CE1-CG 3.97Å; Y246-W253 HydrophobicContact CE1-CG 3.97Å; E248-W253 HydrophobicContact CB-CB 4.3Å; E248-W253 PolarHBondContact N-O 3.43Å; S251-W253 PolarHBondContact O-N 2.8Å; S251-W253 VanDerWaalsContact O-N 3.09Å; S251-W253 PolarHBondContact OG-N 3.27Å; W253-H267 HydrophobicContact CE3-CB 4.49Å; W253-H267 PolarHBondContact O-CD2 3.35Å; W253-A269 HydrophobicContact CE3-CB 4.24Å; W253-A269 HydrophobicContact CZ3-CB 3.9Å
254	E	92.1	Very high	89.9	Confident	52 Å²	52	67.7 Å²	67.7	24%	0.243	35%	0.353	C	S	.	.			trans	-69.3	134.7	168.4	-170.8	171.9	157.6	0	0	110	N247 E248 N250 S251 H267 L268 L276	N247-E254 WeakPolarHBondContact OD1-CA 3.34Å; E248-E254 WeakPolarHBondContact O-CA 3.26Å; E248-E254 WeakPolarHBondContact O-CB 3.38Å; E248-E254 PolarHBondContact O-N 3.22Å; N250-E254 PolarHBondContact N-OE2 3.17Å; S251-E254 WeakPolarHBondContact O-CB 3.31Å; S251-E254 PolarHBondContact O-N 2.77Å; E254-H267 WeakPolarHBondContact O-CA 3.38Å; E254-L268 PolarHBondContact O-N 2.75Å; E254-L268 VanDerWaalsContact O-N 3.11Å; E254-L276 HydrophobicContact CB-CD1 4.04Å; E254-L276 HydrophobicContact CB-CD2 4.08Å; E254-L276 VanDerWaalsContact CD-CD1 3.49Å; E254-L276 HydrophobicContact CG-CD1 4.21Å; E254-L276 HydrophobicContact CG-CD2 4.12Å; E254-L276 WeakPolarHBondContact OE2-CD1 3.44Å
255	V	92.9	Very high	89.9	Confident	13 Å²	13	63.9 Å²	63.9	8%	0.079	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	111.3	179	177.7	0	0	0	0	110.6	D231 N247 T266 H267	D231-V255 WeakPolarHBondContact O-CG2 3.33Å; N247-V255 HydrophobicContact CB-CG2 4.22Å; N247-V255 PolarHBondContact OD1-N 3.17Å; V255-T266 CarbonylContact C-O 3.39Å; V255-T266 WeakPolarHBondContact CA-O 3.43Å; V255-H267 WeakPolarHBondContact CG2-CD2 3.42Å; V255-H267 WeakPolarHBondContact CG2-NE2 3.25Å
256	K	91.2	Very high	89.9	Confident	56 Å²	56	59 Å²	59	24%	0.243	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	123.1	171.2	-172.8	69.8	178.3	-174.3	0	110	G265 T266 L273 L276 Q278 W280	K256-G265 CarbonylContact O-C 3.46Å; K256-G265 WeakPolarHBondContact O-CA 3.42Å; K256-T266 HydrophobicContact CB-CG2 4.37Å; K256-T266 PolarHBondContact N-O 3.35Å; K256-T266 PolarHBondContact O-N 3.14Å; K256-L273 HydrophobicContact CB-CD1 4.38Å; K256-L273 HydrophobicContact CG-CD1 4.17Å; K256-L276 HydrophobicContact CB-CD2 4.24Å; K256-L276 HydrophobicContact CD-CD2 4.39Å; K256-L276 VanDerWaalsContact CE-O 3.27Å; K256-L276 WeakPolarHBondContact CE-O 3.45Å; K256-L276 PolarHBondContact NZ-O 3.35Å; K256-Q278 VanDerWaalsContact CE-O 3.3Å; K256-Q278 WeakPolarHBondContact CE-O 3.35Å; K256-W280 HydrophobicContact CG-CB 4.15Å
257	R	92.7	Very high	90	Very high	116 Å²	116	56.4 Å²	56.4	44%	0.438	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	150	176.8	-68.6	178.6	-70.8	-178.4	-8.4	112.3	S229 H230 Q259 S264	S229-R257 VanDerWaalsContact CB-NH1 3.27Å; S229-R257 PolarHBondContact OG-NH1 3.02Å; H230-R257 WeakPolarHBondContact O-CD 3.35Å; H230-R257 WeakPolarHBondContact O-CG 3.25Å; R257-Q259 PolarHBondContact O-N 3.14Å; R257-S264 CarbonylContact C-O 3.26Å; R257-S264 WeakPolarHBondContact CA-O 3.4Å
258	C	91	Very high	90.1	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.014	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-62.4	126.5	173	174.6	0	0	0	0	109.7	C260 G262 S264 W280 C282	C258-C260 PolarHBondContact O-N 3.46Å; C258-C260 PolarHBondContact SG-N 3.34Å; C258-G262 WeakPolarHBondContact O-CA 3.4Å; C258-G262 PolarHBondContact O-N 3.08Å; C258-S264 PolarHBondContact N-O 2.67Å; C258-W280 CarbonylContact C-O 3.54Å; C258-W280 WeakPolarHBondContact CA-O 3.46Å; C258-W280 HydrophobicContact CB-CE3 3.89Å; C258-W280 HydrophobicContact CB-CZ3 3.7Å; C258-C282 HydrophobicContact CB-CB 4.07Å; C258-C282 PolarHBondContact SG-N 3Å
259	Q	88.3	Confident	90.1	Very high	118 Å²	118	52.8 Å²	52.8	55%	0.551	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-32.2	-178.8	-171	-176.6	9.6	0	0	112.6	R257 N279 W280	R257-Q259 PolarHBondContact O-N 3.14Å; Q259-N279 VanDerWaalsContact CD-CG 3.43Å; Q259-N279 PolarHBondContact NE2-ND2 3.28Å; Q259-N279 PolarHBondContact OE1-ND2 3.49Å; Q259-N279 VanDerWaalsContact OE1-ND2 3.13Å; Q259-N279 PolarHBondContact OE1-OD1 3.07Å; Q259-W280 PolarHBondContact N-O 2.89Å
260	C	85.6	Confident	90.4	Very high	49 Å²	49	49.1 Å²	49.1	33%	0.331	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-45.9	-175.7	-54.8	0	0	0	0	114.3	C258 C285	C258-C260 PolarHBondContact O-N 3.46Å; C258-C260 PolarHBondContact SG-N 3.34Å; C260-C285 HydrophobicContact CB-CB 3.68Å; C260-C285 VanDerWaalsContact CB-SG 3.55Å
261	C	86.8	Confident	90.6	Very high	50 Å²	50	43 Å²	43	34%	0.338	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-18.4	-173.6	67.2	0	0	0	0	114.6	S263	C261-S263 PolarHBondContact O-N 3.31Å; C261-S263 PolarHBondContact O-OG 3.47Å; C261-S263 PolarHBondContact SG-N 3.32Å
262	G	85.3	Confident	90.4	Very high	30 Å²	30	48.2 Å²	48.2	31%	0.309	27%	0.268	S	S	.	.	S	Bend	trans	61.6	-8.5	-173.3	0	0	0	0	0	115.8	C258	C258-G262 WeakPolarHBondContact O-CA 3.4Å; C258-G262 PolarHBondContact O-N 3.08Å
263	S	85.3	Confident	90.2	Very high	86 Å²	86	43.7 Å²	43.7	60%	0.601	25%	0.249	S	C	*	.	S	Bend	trans	-102	15.5	-169.5	-50.2	0	0	0	0	112.8	C261	C261-S263 PolarHBondContact O-N 3.31Å; C261-S263 PolarHBondContact O-OG 3.47Å; C261-S263 PolarHBondContact SG-N 3.32Å
264	S	91.1	Very high	89.7	Confident	22 Å²	22	49.7 Å²	49.7	15%	0.154	28%	0.28	C	S	.	.			trans	-144.7	150.3	172.1	-54.1	0	0	0	0	108.5	D234 R257 C258 W280	D234-S264 WeakPolarHBondContact OD2-CA 3.5Å; R257-S264 CarbonylContact C-O 3.26Å; R257-S264 WeakPolarHBondContact CA-O 3.4Å; C258-S264 PolarHBondContact N-O 2.67Å; S264-W280 WeakPolarHBondContact O-CZ3 3.2Å
265	G	92.6	Very high	89.3	Confident	0 Å²	0	49 Å²	49	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	158.8	-177.9	0	0	0	0	0	113.8	H230 R232 D234 K256	H230-G265 PolarHBondContact CD2-N 3.44Å; R232-G265 CarbonylContact O-C 3.54Å; R232-G265 VanDerWaalsContact O-CA 3.3Å; R232-G265 WeakPolarHBondContact O-CA 3.49Å; D234-G265 PolarHBondContact N-O 3.33Å; D234-G265 PolarHBondContact OD2-N 2.92Å; K256-G265 CarbonylContact O-C 3.46Å; K256-G265 WeakPolarHBondContact O-CA 3.42Å
266	T	93.6	Very high	88.6	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	142.5	167.8	-174.5	0	0	0	0	109.6	V235 V255 K256 L273 W280	V235-T266 VanDerWaalsContact CG1-OG1 3.3Å; V235-T266 WeakPolarHBondContact CG1-OG1 3.48Å; V255-T266 CarbonylContact C-O 3.39Å; V255-T266 WeakPolarHBondContact CA-O 3.43Å; K256-T266 HydrophobicContact CB-CG2 4.37Å; K256-T266 PolarHBondContact N-O 3.35Å; K256-T266 PolarHBondContact O-N 3.14Å; T266-L273 HydrophobicContact CG2-CD1 4.46Å; T266-W280 HydrophobicContact CG2-CD2 3.42Å; T266-W280 VanDerWaalsContact CG2-CD2 3.42Å; T266-W280 VanDerWaalsContact CG2-CE2 3.45Å; T266-W280 HydrophobicContact CG2-CE3 3.87Å; T266-W280 HydrophobicContact CG2-CG 3.71Å; T266-W280 HydrophobicContact CG2-CH2 4.35Å; T266-W280 HydrophobicContact CG2-CZ2 3.94Å; T266-W280 HydrophobicContact CG2-CZ3 4.31Å
267	H	95	Very high	88.1	Confident	0 Å²	0	56 Å²	56	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	148.4	159.7	-62.2	124.3	0	0	0	109.7	C233 Y246 W253 E254 V255 A269 C270 S271	C233-H267 VanDerWaalsContact CB-CE1 3.43Å; C233-H267 WeakPolarHBondContact CB-CE1 3.47Å; C233-H267 WeakPolarHBondContact CB-ND1 2.84Å; Y246-H267 PolarHBondContact O-NE2 3.44Å; W253-H267 HydrophobicContact CE3-CB 4.49Å; W253-H267 PolarHBondContact O-CD2 3.35Å; E254-H267 WeakPolarHBondContact O-CA 3.38Å; V255-H267 WeakPolarHBondContact CG2-CD2 3.42Å; V255-H267 WeakPolarHBondContact CG2-NE2 3.25Å; H267-A269 VanDerWaalsContact C-N 3.28Å; H267-A269 PolarHBondContact O-N 3.34Å; H267-C270 HydrophobicContact CB-CB 3.93Å; H267-C270 WeakPolarHBondContact O-CA 3.41Å; H267-C270 PolarHBondContact O-N 2.81Å; H267-S271 PolarHBondContact O-N 2.87Å
268	L	91.1	Very high	87.7	Confident	27 Å²	27	54 Å²	54	14%	0.141	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-50.8	-51.4	172.2	-174.4	68.6	0	0	0	110.8	E254 C270 S271 L273 L276	E254-L268 PolarHBondContact O-N 2.75Å; E254-L268 VanDerWaalsContact O-N 3.11Å; L268-C270 PolarHBondContact O-N 3.36Å; L268-C270 VanDerWaalsContact O-N 3.15Å; L268-S271 PolarHBondContact O-N 3.32Å; L268-S271 VanDerWaalsContact O-N 3.16Å; L268-S271 PolarHBondContact O-OG 2.97Å; L268-L273 HydrophobicContact CD1-CB 3.74Å; L268-L273 HydrophobicContact CD1-CD1 4.44Å; L268-L276 HydrophobicContact CB-CD2 4.38Å; L268-L276 HydrophobicContact CD1-CD2 4.31Å; L268-L276 HydrophobicContact CD1-CG 4.25Å; L268-L276 HydrophobicContact CD2-CG 4.24Å
269	A	91.4	Very high	87.6	Confident	41 Å²	41	58.8 Å²	58.8	34%	0.339	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-66.8	-12.2	178	0	0	0	0	0	115.2	K252 W253 H267	K252-A269 HydrophobicContact CB-CB 4.07Å; K252-A269 HydrophobicContact CD-CB 4.42Å; K252-A269 HydrophobicContact CG-CB 4.23Å; K252-A269 WeakPolarHBondContact O-CB 3.37Å; K252-A269 PolarHBondContact O-N 3.3Å; W253-A269 HydrophobicContact CE3-CB 4.24Å; W253-A269 HydrophobicContact CZ3-CB 3.9Å; H267-A269 VanDerWaalsContact C-N 3.28Å; H267-A269 PolarHBondContact O-N 3.34Å
270	C	93.5	Very high	87.7	Confident	15 Å²	15	54.4 Å²	54.4	10%	0.101	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-98.7	5.5	178.2	-61.1	0	0	0	0	113.3	V235 H239 H267 L268	V235-C270 HydrophobicContact CG2-CB 3.53Å; H239-C270 PolarHBondContact N-SG 2.93Å; H267-C270 HydrophobicContact CB-CB 3.93Å; H267-C270 WeakPolarHBondContact O-CA 3.41Å; H267-C270 PolarHBondContact O-N 2.81Å; L268-C270 PolarHBondContact O-N 3.36Å; L268-C270 VanDerWaalsContact O-N 3.15Å
271	S	88.4	Confident	88	Confident	28 Å²	28	53.9 Å²	53.9	20%	0.196	31%	0.307	C	S	.	.	S	Bend	trans	-125.5	176.1	-179.2	73.6	0	0	0	0	110.9	H267 L268 L273	H267-S271 PolarHBondContact O-N 2.87Å; L268-S271 PolarHBondContact O-N 3.32Å; L268-S271 VanDerWaalsContact O-N 3.16Å; L268-S271 PolarHBondContact O-OG 2.97Å; S271-L273 PolarHBondContact O-N 3.48Å; S271-L273 VanDerWaalsContact OG-CB 3.31Å; S271-L273 WeakPolarHBondContact OG-CB 3.45Å; S271-L273 WeakPolarHBondContact OG-CD1 3.45Å; S271-L273 WeakPolarHBondContact OG-CG 3.31Å; S271-L273 PolarHBondContact OG-N 2.94Å
272	T	84.9	Confident	88.2	Confident	137 Å²	137	51.9 Å²	51.9	84%	0.84	29%	0.293	S	S	*	.	S	Bend	trans	-85.9	9.1	172.5	56.7	0	0	0	0	112.9
273	L	87.4	Confident	88.2	Confident	25 Å²	25	55.3 Å²	55.3	13%	0.131	30%	0.304	C	S	.	.			trans	-74.2	140.6	-178.7	-56.8	169.7	0	0	0	110.1	K256 T266 L268 S271 Q278 W280	K256-L273 HydrophobicContact CB-CD1 4.38Å; K256-L273 HydrophobicContact CG-CD1 4.17Å; T266-L273 HydrophobicContact CG2-CD1 4.46Å; L268-L273 HydrophobicContact CD1-CB 3.74Å; L268-L273 HydrophobicContact CD1-CD1 4.44Å; S271-L273 PolarHBondContact O-N 3.48Å; S271-L273 VanDerWaalsContact OG-CB 3.31Å; S271-L273 WeakPolarHBondContact OG-CB 3.45Å; S271-L273 WeakPolarHBondContact OG-CD1 3.45Å; S271-L273 WeakPolarHBondContact OG-CG 3.31Å; S271-L273 PolarHBondContact OG-N 2.94Å; L273-Q278 HydrophobicContact CD2-CB 3.76Å; L273-W280 HydrophobicContact CD1-CB 3.76Å; L273-W280 HydrophobicContact CD1-CG 4.17Å; L273-W280 HydrophobicContact CD2-CB 4.3Å
274	Q	82.6	Confident	88.2	Confident	176 Å²	176	55.6 Å²	55.6	82%	0.822	30%	0.299	S	S	*	.	S	Bend	trans	-94.2	-26.8	174.9	-64.5	178.6	-6.2	0	0	111.7
275	S	83.8	Confident	88	Confident	38 Å²	38	55.4 Å²	55.4	27%	0.266	30%	0.297	S	S	.	.	S	Bend	trans	-142.1	160.1	175.8	77.7	0	0	0	0	112	E277 Q278	S275-E277 PolarHBondContact O-N 3.27Å; S275-E277 PolarHBondContact OG-N 3.19Å; S275-Q278 PolarHBondContact O-N 3.35Å
276	L	78.8	Confident	87.7	Confident	40 Å²	40	61 Å²	61	21%	0.209	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-14	175.3	-75.4	161.2	0	0	0	113.1	E254 K256 L268 Q278	E254-L276 HydrophobicContact CB-CD1 4.04Å; E254-L276 HydrophobicContact CB-CD2 4.08Å; E254-L276 VanDerWaalsContact CD-CD1 3.49Å; E254-L276 HydrophobicContact CG-CD1 4.21Å; E254-L276 HydrophobicContact CG-CD2 4.12Å; E254-L276 WeakPolarHBondContact OE2-CD1 3.44Å; K256-L276 HydrophobicContact CB-CD2 4.24Å; K256-L276 HydrophobicContact CD-CD2 4.39Å; K256-L276 VanDerWaalsContact CE-O 3.27Å; K256-L276 WeakPolarHBondContact CE-O 3.45Å; K256-L276 PolarHBondContact NZ-O 3.35Å; L268-L276 HydrophobicContact CB-CD2 4.38Å; L268-L276 HydrophobicContact CD1-CD2 4.31Å; L268-L276 HydrophobicContact CD1-CG 4.25Å; L268-L276 HydrophobicContact CD2-CG 4.24Å; L276-Q278 VanDerWaalsContact C-N 3.28Å
277	E	80.6	Confident	87.2	Confident	175 Å²	175	67.4 Å²	67.4	82%	0.818	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-22.3	176.8	-63.5	163.8	175.3	0	0	111.5	S275	S275-E277 PolarHBondContact O-N 3.27Å; S275-E277 PolarHBondContact OG-N 3.19Å
278	Q	83.9	Confident	86.4	Confident	75 Å²	75	74 Å²	74	35%	0.35	38%	0.376	S	S	.	.	S	Bend	trans	-71.5	141.7	178.7	-68.8	-178.7	-43.2	0	0	111.8	K256 L273 S275 L276	K256-Q278 VanDerWaalsContact CE-O 3.3Å; K256-Q278 WeakPolarHBondContact CE-O 3.35Å; L273-Q278 HydrophobicContact CD2-CB 3.76Å; S275-Q278 PolarHBondContact O-N 3.35Å; L276-Q278 VanDerWaalsContact C-N 3.28Å
279	N	88.7	Confident	85.6	Confident	103 Å²	103	76.7 Å²	76.7	55%	0.551	39%	0.394	S	S	*	.			trans	-71.8	136.8	176.2	-70.3	-29.6	0	0	0	110.8	Q259	Q259-N279 VanDerWaalsContact CD-CG 3.43Å; Q259-N279 PolarHBondContact NE2-ND2 3.28Å; Q259-N279 PolarHBondContact OE1-ND2 3.49Å; Q259-N279 VanDerWaalsContact OE1-ND2 3.13Å; Q259-N279 PolarHBondContact OE1-OD1 3.07Å
280	W	91.7	Very high	84.5	Confident	26 Å²	26	82.2 Å²	82.2	10%	0.098	41%	0.407	C	S	.	.			trans	-120.8	142.1	173.7	-178.4	73.2	0	0	0	110.4	V235 K256 C258 Q259 S264 T266 L273 C282	V235-W280 HydrophobicContact CG1-CZ2 4.04Å; K256-W280 HydrophobicContact CG-CB 4.15Å; C258-W280 CarbonylContact C-O 3.54Å; C258-W280 WeakPolarHBondContact CA-O 3.46Å; C258-W280 HydrophobicContact CB-CE3 3.89Å; C258-W280 HydrophobicContact CB-CZ3 3.7Å; Q259-W280 PolarHBondContact N-O 2.89Å; S264-W280 WeakPolarHBondContact O-CZ3 3.2Å; T266-W280 HydrophobicContact CG2-CD2 3.42Å; T266-W280 VanDerWaalsContact CG2-CD2 3.42Å; T266-W280 VanDerWaalsContact CG2-CE2 3.45Å; T266-W280 HydrophobicContact CG2-CE3 3.87Å; T266-W280 HydrophobicContact CG2-CG 3.71Å; T266-W280 HydrophobicContact CG2-CH2 4.35Å; T266-W280 HydrophobicContact CG2-CZ2 3.94Å; T266-W280 HydrophobicContact CG2-CZ3 4.31Å; L273-W280 HydrophobicContact CD1-CB 3.76Å; L273-W280 HydrophobicContact CD1-CG 4.17Å; L273-W280 HydrophobicContact CD2-CB 4.3Å; W280-C282 HydrophobicContact CH2-CB 3.82Å; W280-C282 HydrophobicContact CZ2-CB 4.33Å; W280-C282 HydrophobicContact CZ3-CB 4.22Å
281	E	92.3	Very high	82.5	Confident	38 Å²	38	86.7 Å²	86.7	18%	0.178	43%	0.43	C	S	.	.			trans	-126.3	132.2	178.5	-63.9	174.7	172.7	0	0	108.9	R286 Y290	E281-R286 IonicContact OE2-NE 3.08Å; E281-Y290 VanDerWaalsContact OE2-CE2 3.3Å; E281-Y290 WeakPolarHBondContact OE2-CE2 3.31Å
282	C	90.9	Very high	80.4	Confident	7 Å²	7	90.7 Å²	90.7	5%	0.047	46%	0.458	C	S	.	.			trans	-71.2	161.6	174.4	75.5	0	0	0	0	111	C258 W280 D284 C285 R286	C258-C282 HydrophobicContact CB-CB 4.07Å; C258-C282 PolarHBondContact SG-N 3Å; W280-C282 HydrophobicContact CH2-CB 3.82Å; W280-C282 HydrophobicContact CZ2-CB 4.33Å; W280-C282 HydrophobicContact CZ3-CB 4.22Å; C282-D284 PolarHBondContact O-N 3.49Å; C282-C285 PolarHBondContact O-N 2.88Å; C282-C285 PolarHBondContact SG-N 2.96Å; C282-C285 VanDerWaalsContact SG-N 3.43Å; C282-C285 PolarHBondContact SG-SG 3.47Å; C282-R286 WeakPolarHBondContact O-CB 3.42Å; C282-R286 PolarHBondContact O-N 2.96Å
283	L	85.6	Confident	78.2	Confident	103 Å²	103	90.4 Å²	90.4	54%	0.539	45%	0.451	S	S	.	.	H	α-helix	trans	-58.4	-36.1	-177.3	-69.8	174	0	0	0	112.7	R287	L283-R287 WeakPolarHBondContact O-CB 3.48Å; L283-R287 PolarHBondContact O-N 3.08Å
284	D	84.1	Confident	76.1	Confident	92 Å²	92	99.6 Å²	99.6	49%	0.492	49%	0.49	S	S	.	.	H	α-helix	trans	-72.8	-44	-179	-60	-49.4	0	0	0	111.4	C282 R287 I288	C282-D284 PolarHBondContact O-N 3.49Å; D284-R287 WeakPolarHBondContact O-CB 3.34Å; D284-R287 PolarHBondContact O-N 2.99Å; D284-I288 WeakPolarHBondContact O-CG1 3.5Å; D284-I288 PolarHBondContact O-N 2.92Å; D284-I288 VanDerWaalsContact O-N 3.09Å
285	C	88	Confident	74	Confident	17 Å²	17	102.6 Å²	102.6	12%	0.115	49%	0.494	C	S	.	.	H	α-helix	trans	-62.7	-45.6	175	-71.7	0	0	0	0	111.2	C260 C282 R287 I288 T289	C260-C285 HydrophobicContact CB-CB 3.68Å; C260-C285 VanDerWaalsContact CB-SG 3.55Å; C282-C285 PolarHBondContact O-N 2.88Å; C282-C285 PolarHBondContact SG-N 2.96Å; C282-C285 VanDerWaalsContact SG-N 3.43Å; C282-C285 PolarHBondContact SG-SG 3.47Å; C285-R287 VanDerWaalsContact C-N 3.27Å; C285-R287 PolarHBondContact O-N 3.38Å; C285-I288 WeakPolarHBondContact O-CB 3.24Å; C285-I288 PolarHBondContact O-N 3.47Å; C285-T289 PolarHBondContact O-N 3.38Å; C285-T289 PolarHBondContact O-OG1 3.45Å
286	R	85.5	Confident	72	Confident	118 Å²	118	110.9 Å²	110.9	45%	0.445	53%	0.525	S	S	.	.	H	α-helix	trans	-60.9	-36.2	176	-168.1	178.9	-72.5	177.4	-2.1	112.1	E281 C282 I288 T289 Y290	E281-R286 IonicContact OE2-NE 3.08Å; C282-R286 WeakPolarHBondContact O-CB 3.42Å; C282-R286 PolarHBondContact O-N 2.96Å; R286-I288 VanDerWaalsContact C-N 3.3Å; R286-I288 PolarHBondContact O-N 3.36Å; R286-T289 WeakPolarHBondContact CA-OG1 3.32Å; R286-T289 PolarHBondContact O-N 3.33Å; R286-Y290 HydrophobicContact CB-CD2 4.33Å; R286-Y290 HydrophobicContact CG-CD2 3.46Å; R286-Y290 VanDerWaalsContact CG-CD2 3.46Å; R286-Y290 HydrophobicContact CG-CE2 3.87Å; R286-Y290 HydrophobicContact CG-CG 4.36Å; R286-Y290 WeakPolarHBondContact O-CB 3.31Å; R286-Y290 VanDerWaalsContact O-CD2 3.31Å; R286-Y290 WeakPolarHBondContact O-CD2 3.36Å; R286-Y290 PolarHBondContact O-N 2.95Å
287	R	82.6	Confident	69.6	Low	135 Å²	135	112.8 Å²	112.8	51%	0.509	55%	0.547	S	S	.	.	H	α-helix	trans	-65.2	-35.9	175	-170.5	-175.8	-64.2	153.9	6.1	111.8	L283 D284 C285 N291	L283-R287 WeakPolarHBondContact O-CB 3.48Å; L283-R287 PolarHBondContact O-N 3.08Å; D284-R287 WeakPolarHBondContact O-CB 3.34Å; D284-R287 PolarHBondContact O-N 2.99Å; C285-R287 VanDerWaalsContact C-N 3.27Å; C285-R287 PolarHBondContact O-N 3.38Å; R287-N291 WeakPolarHBondContact O-CB 3.41Å; R287-N291 PolarHBondContact O-N 3.27Å
288	I	79.4	Confident	67.3	Low	139 Å²	139	109.9 Å²	109.9	71%	0.713	54%	0.544	S	S	*	.	H	α-helix	trans	-73.2	-41.4	178.4	-64.5	162.5	0	0	0	110.9	D284 C285 R286	D284-I288 WeakPolarHBondContact O-CG1 3.5Å; D284-I288 PolarHBondContact O-N 2.92Å; D284-I288 VanDerWaalsContact O-N 3.09Å; C285-I288 WeakPolarHBondContact O-CB 3.24Å; C285-I288 PolarHBondContact O-N 3.47Å; R286-I288 VanDerWaalsContact C-N 3.3Å; R286-I288 PolarHBondContact O-N 3.36Å
289	T	74.4	Confident	65	Low	83 Å²	83	116.3 Å²	116.3	51%	0.509	57%	0.57	S	S	.	*	H	α-helix	trans	-77.9	-32.7	-177.3	30.1	0	0	0	0	114.3	C285 R286	C285-T289 PolarHBondContact O-N 3.38Å; C285-T289 PolarHBondContact O-OG1 3.45Å; R286-T289 WeakPolarHBondContact CA-OG1 3.32Å; R286-T289 PolarHBondContact O-N 3.33Å
290	Y	67.9	Low	62	Low	156 Å²	156	119.5 Å²	119.5	61%	0.612	58%	0.581	S	S	*	*	H	α-helix	trans	-110.8	-0.8	-170.2	-63.1	-88.4	0	0	0	115.5	E281 R286	E281-Y290 VanDerWaalsContact OE2-CE2 3.3Å; E281-Y290 WeakPolarHBondContact OE2-CE2 3.31Å; R286-Y290 HydrophobicContact CB-CD2 4.33Å; R286-Y290 HydrophobicContact CG-CD2 3.46Å; R286-Y290 VanDerWaalsContact CG-CD2 3.46Å; R286-Y290 HydrophobicContact CG-CE2 3.87Å; R286-Y290 HydrophobicContact CG-CG 4.36Å; R286-Y290 WeakPolarHBondContact O-CB 3.31Å; R286-Y290 VanDerWaalsContact O-CD2 3.31Å; R286-Y290 WeakPolarHBondContact O-CD2 3.36Å; R286-Y290 PolarHBondContact O-N 2.95Å
291	N	51	Low	59.1	Low	109 Å²	109	123.9 Å²	123.9	58%	0.583	61%	0.613	S	S	*	*			trans	-107.3	99.3	169.6	-86.2	-17.6	0	0	0	111.2	R287	R287-N291 WeakPolarHBondContact O-CB 3.41Å; R287-N291 PolarHBondContact O-N 3.27Å
292	S	44.4	Very low	55.9	Low	113 Å²	113	129.9 Å²	129.9	79%	0.79	65%	0.646	S	S	*	*			trans	-79.1	-0.8	162.9	48.9	0	0	0	0	113.8
293	D	39.6	Very low	52.8	Low	130 Å²	130	133.6 Å²	133.6	70%	0.695	68%	0.677	S	S	*	*	S	Bend	trans	-117.2	103.7	178.9	-72.8	-44.7	0	0	0	112.2	R295	D293-R295 PolarHBondContact O-N 3.39Å
294	F	43	Very low	50.2	Low	218 Å²	218	137.1 Å²	137.1	96%	0.956	70%	0.696	S	S	*	*			trans	-61.1	101.1	166.6	-89.8	-92.1	0	0	0	110.2
295	R	37.3	Very low	47.4	Very low	239 Å²	239	137.9 Å²	137.9	90%	0.902	71%	0.709	S	S	*	*			trans	-125.7	127.9	150.9	-70.1	-167.4	179.9	-155.5	2	110.3	D293	D293-R295 PolarHBondContact O-N 3.39Å
296	K	42.9	Very low	44.5	Very low	212 Å²	212	143 Å²	143	92%	0.922	74%	0.74	S	S	*	*			trans	-36.2	126.7	-173.8	-65.6	170.8	176.6	176	0	113.5
297	A	27.8	Very low	41.7	Very low	81 Å²	81	145.3 Å²	145.3	67%	0.669	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-84.2	146.2	163.2	0	0	0	0	0	110.5
298	P	32	Very low	38.9	Very low	114 Å²	114	144.7 Å²	144.7	74%	0.74	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-71.8	148.3	-174.6	-10	26.5	0	0	0	112.2	H300	P298-H300 PolarHBondContact O-N 3.04Å
299	K	35.4	Very low	36.3	Very low	210 Å²	210	143.9 Å²	143.9	91%	0.913	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-60.1	117.5	171.4	-66	179.6	177.6	-178.2	0	109.7
300	H	26.9	Very low	33.9	Very low	169 Å²	169	146.5 Å²	146.5	78%	0.782	79%	0.789	S	S	*	*			trans	-113.2	131.4	158.4	-97.4	-72.7	0	0	0	109.2	P298	P298-H300 PolarHBondContact O-N 3.04Å
301	P	30.9	Very low	31.8	Very low	118 Å²	118	144.7 Å²	144.7	77%	0.766	80%	0.795	S	S	*	*			trans	-81.8	128	175.5	31.7	-29.6	0	0	0	109.9
302	L	24.4	Very low	30.5	Very low	164 Å²	164	146.7 Å²	146.7	86%	0.859	81%	0.805	S	S	*	*			trans	-114.8	103.5	153.5	-87.9	117.2	0	0	0	105.5
303	A	24.9	Very low	29.6	Very low	85 Å²	85	146.1 Å²	146.1	70%	0.702	80%	0.8	S	S	*	*				73.9	104.2	83.7	0	0	0	0	0	110.5	S305	A303-S305 PolarHBondContact O-N 3.02Å
304	N	32.3	Very low	28.7	Very low	177 Å²	177	148.3 Å²	148.3	95%	0.947	81%	0.811	S	S	*	*			trans	-49.7	126.3	179.4	-65.3	-22.3	0	0	0	111.7
305	S	25.7	Very low	28.2	Very low	109 Å²	109	146.4 Å²	146.4	76%	0.762	81%	0.81	S	S	*	*			trans	-122.3	99.1	157.5	66.2	0	0	0	0	109.3	A303	A303-S305 PolarHBondContact O-N 3.02Å
306	T	25.3	Very low	27.6	Very low	123 Å²	123	141.5 Å²	141.5	76%	0.755	80%	0.797	S	S	*	*			trans	20.1	119.3	143.6	43.2	0	0	0	0	118.8	V308	T306-V308 PolarHBondContact O-N 3.48Å
307	N	27.3	Very low	26.7	Very low	167 Å²	167	140.3 Å²	140.3	89%	0.893	80%	0.795	S	S	*	*			trans	-43.4	118.9	159	-64.3	-38	0	0	0	111.3
308	V	23.7	Very low	26.6	Very low	123 Å²	123	140.5 Å²	140.5	75%	0.745	79%	0.791	S	S	*	*			trans	-106.7	104.8	160.1	179.1	0	0	0	0	107	T306 V310	T306-V308 PolarHBondContact O-N 3.48Å; V308-V310 HydrophobicContact CG1-CG2 4.27Å
309	T	25.2	Very low	26.5	Very low	122 Å²	122	137.6 Å²	137.6	75%	0.748	77%	0.774	S	S	*	*			trans	-64.6	126.3	162.5	39.5	0	0	0	0	109.2
310	V	24	Very low	26.2	Very low	137 Å²	137	132 Å²	132	83%	0.83	76%	0.759	S	S	*	*			trans	-113.9	104.8	164	-177.5	0	0	0	0	107.4	V308	V308-V310 HydrophobicContact CG1-CG2 4.27Å
311	T	23.6	Very low	26.9	Very low	119 Å²	119	125.8 Å²	125.8	73%	0.73	73%	0.73	S	S	*	*			trans	-93.4	138.5	167.4	26	0	0	0	0	109.6
312	D	24.3	Very low	27.2	Very low	150 Å²	150	124 Å²	124	80%	0.802	71%	0.713	S	S	*	*			trans	51.3	148.6	157.1	-82.5	1.7	0	0	0	119.5
313	C	24.4	Very low	27.7	Very low	101 Å²	101	119.3 Å²	119.3	68%	0.682	69%	0.693	S	S	*	*			cis	-179.7	125.6	-20.9	-114.9	0	0	0	0	102
314	L	22.3	Very low	28.4	Very low	176 Å²	176	117.1 Å²	117.1	92%	0.921	67%	0.666	S	S	*	*			trans	-128.8	128.9	156.4	-73.9	175.9	0	0	0	108.6
315	L	31.1	Very low	28.6	Very low	178 Å²	178	116 Å²	116	93%	0.932	66%	0.655	S	S	*	*			trans	-70.6	120.1	-174.8	-69	155.5	0	0	0	109
316	E	24.4	Very low	28.9	Very low	136 Å²	136	115.9 Å²	115.9	64%	0.636	65%	0.654	S	S	*	*			trans	-125.3	148	169.9	-80.6	-165.9	162.9	0	0	112.1
317	E	24.8	Very low	29.2	Very low	188 Å²	188	115.2 Å²	115.2	88%	0.879	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-66.5	152.9	-167.9	-63.1	-176.6	144.9	0	0	113.7	S319	E317-S319 PolarHBondContact O-N 2.91Å
318	S	25.1	Very low	29.1	Very low	85 Å²	85	110.6 Å²	110.6	59%	0.594	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-66.7	122.5	-174.8	40.8	0	0	0	0	113.3
319	S	30.4	Very low	29.4	Very low	53 Å²	53	109.6 Å²	109.6	37%	0.371	66%	0.658	S	S	.	*	P	Polyproline II helix	trans	-70.3	156.1	173.7	-39	0	0	0	0	113.4	E317	E317-S319 PolarHBondContact O-N 2.91Å
320	P	29.8	Very low	29.6	Very low	92 Å²	92	112.9 Å²	112.9	60%	0.597	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-70	144.6	-177.6	-13.2	28.7	0	0	0	113	E57	E57-P320 WeakPolarHBondContact OE1-CA 3.4Å
321	K	41.1	Very low	29.8	Very low	39 Å²	39	115.4 Å²	115.4	17%	0.17	67%	0.667	C	S	.	*			trans	-124	130.2	-167.3	-69.8	171.9	177.2	-155.9	0	113.9	Y42 E57 Y62	Y42-K321 HydrophobicContact CE1-CD 4.42Å; Y42-K321 HydrophobicContact CE2-CD 3.67Å; Y42-K321 VanDerWaalsContact CE2-NZ 3.34Å; Y42-K321 WeakPolarHBondContact OH-CD 3.11Å; Y42-K321 WeakPolarHBondContact OH-CG 3.28Å; E57-K321 PolarHBondContact OE1-N 3.44Å; Y62-K321 HydrophobicContact CD1-CD 3.48Å; Y62-K321 VanDerWaalsContact CD1-CD 3.48Å; Y62-K321 HydrophobicContact CD2-CD 4.48Å; Y62-K321 HydrophobicContact CE1-CD 4.08Å; Y62-K321 HydrophobicContact CG-CD 3.7Å; Y62-K321 PolarHBondContact OH-NZ 3.44Å
322	L	37.4	Very low	29.9	Very low	81 Å²	81	119.8 Å²	119.8	42%	0.424	68%	0.676	S	S	.	*			trans	-63.1	124.6	-178.9	-73.2	168.3	0	0	0	113.9	Q53 E211	Q53-L322 PolarHBondContact OE1-O 2.97Å; E211-L322 HydrophobicContact CG-CD1 4.38Å
323	P	33.7	Very low	30.1	Very low	65 Å²	65	121.7 Å²	121.7	42%	0.422	68%	0.68	S	S	.	*			trans	-84.2	137.7	178.5	30.2	-31.4	0	0	0	114.9	Q53 Q325	Q53-P323 HydrophobicContact CB-CB 4.35Å; Q53-P323 HydrophobicContact CG-CB 4.38Å; Q53-P323 VanDerWaalsContact OE1-CA 3.28Å; P323-Q325 PolarHBondContact O-N 3.26Å
324	R	40.4	Very low	30.1	Very low	38 Å²	38	125.1 Å²	125.1	14%	0.143	69%	0.691	C	S	.	*			trans	-79.9	99.7	168.1	-165.9	-173.5	-159.2	-160.8	5.6	110.3	S49 I51 W52 N119 F120	S49-R324 PolarHBondContact O-NH1 2.91Å; I51-R324 PolarHBondContact O-NH1 2.97Å; W52-R324 HydrophobicContact CE3-CB 4.49Å; W52-R324 HydrophobicContact CE3-CG 3.74Å; W52-R324 HydrophobicContact CZ3-CG 3.79Å; N119-R324 PolarHBondContact O-NH2 3.41Å; F120-R324 HydrophobicContact CD2-CB 4.42Å; F120-R324 HydrophobicContact CD2-CG 4.18Å; F120-R324 HydrophobicContact CE2-CB 4.2Å; F120-R324 HydrophobicContact CE2-CG 4.4Å
325	Q	36.2	Very low	30.3	Very low	155 Å²	155	125.1 Å²	125.1	72%	0.724	69%	0.691	S	S	*	*			trans	-87.7	152.5	179	-62.9	-176	3.6	0	0	113	P323	P323-Q325 PolarHBondContact O-N 3.26Å
326	S	32.5	Very low	30.1	Very low	106 Å²	106	128 Å²	128	74%	0.741	69%	0.689	S	S	*	*			trans	-71.5	143.3	-175.7	56.9	0	0	0	0	113.8
327	A	30.7	Very low	30.2	Very low	108 Å²	108	129.8 Å²	129.8	89%	0.893	70%	0.702	S	S	*	*			trans	-84.2	114.6	166.5	0	0	0	0	0	110.8
328	G	26.9	Very low	30.1	Very low	71 Å²	71	130.6 Å²	130.6	73%	0.732	70%	0.703	S	S	*	*			trans	-131.4	116.8	170.3	0	0	0	0	0	111.1
329	A	30.1	Very low	30	Very low	102 Å²	102	135.1 Å²	135.1	84%	0.843	71%	0.714	S	S	*	*	S	Bend	trans	69.9	61.5	164.5	0	0	0	0	0	119.8
330	Q	29.2	Very low	29.6	Very low	191 Å²	191	140.9 Å²	140.9	89%	0.893	74%	0.736	S	S	*	*			trans	-141.9	27	153.2	-72.4	-164.3	-13.5	0	0	113.5	K332	Q330-K332 VanDerWaalsContact C-N 3.33Å; Q330-K332 PolarHBondContact O-N 3.41Å; Q330-K332 VanDerWaalsContact O-N 3.15Å
331	H	27.2	Very low	29.2	Very low	190 Å²	190	143.3 Å²	143.3	88%	0.88	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	61.1	-179.3	-146.2	-61.2	0	0	0	111.3
332	K	26.7	Very low	28.3	Very low	210 Å²	210	150.2 Å²	150.2	91%	0.913	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-152.8	4.9	169.1	-115.9	175.4	-171.6	-174	0	118.3	Q330	Q330-K332 VanDerWaalsContact C-N 3.33Å; Q330-K332 PolarHBondContact O-N 3.41Å; Q330-K332 VanDerWaalsContact O-N 3.15Å
333	E	27	Very low	27.5	Very low	190 Å²	190	154.5 Å²	154.5	89%	0.888	80%	0.804	S	S	*	*	S	Bend	trans	-138.8	49.4	-175.7	-152.5	168.9	-166.8	0	0	114.3
334	L	25.7	Very low	26.9	Very low	174 Å²	174	157.4 Å²	157.4	91%	0.911	83%	0.826	S	S	*	*			trans	-137.1	21.2	174.9	-104	156.5	0	0	0	113.5
335	L	26.1	Very low	25.9	Very low	175 Å²	175	160.4 Å²	160.4	92%	0.916	85%	0.852	S	S	*	*	S	Bend	trans	-119.6	56.8	176.2	-93.3	155.2	0	0	0	110.1
336	R	26.3	Very low	25.3	Very low	240 Å²	240	159.2 Å²	159.2	91%	0.906	86%	0.856	S	S	*	*	S	Bend	trans	-165.7	56.4	167.2	-119.7	-178.2	-176.5	-178.9	0.2	113.3
337	L	26.3	Very low	24.9	Very low	173 Å²	173	159.6 Å²	159.6	91%	0.906	86%	0.856	S	S	*	*			trans	-168.3	77.6	161	-104.7	133.9	0	0	0	109.7
338	K	23.9	Very low	24.4	Very low	204 Å²	204	160.7 Å²	160.7	89%	0.887	86%	0.855	S	S	*	*			trans	-146	90.4	162.6	-91.2	-165.6	177	-175.7	0	108.9
339	Q	22.8	Very low	24.2	Very low	180 Å²	180	162.6 Å²	162.6	84%	0.841	86%	0.855	S	S	*	*			trans	165.6	120.2	165.3	-101.4	165.3	-13.7	0	0	102.7
340	E	21.7	Very low	23.8	Very low	175 Å²	175	163.3 Å²	163.3	82%	0.818	85%	0.854	S	S	*	*			cis	-142.6	164.3	16.6	-72.5	152.5	160.1	0	0	106
341	V	21.6	Very low	23.5	Very low	143 Å²	143	162 Å²	162	87%	0.867	85%	0.851	S	S	*	*				-173	136.3	91.2	158.7	0	0	0	0	108.1
342	Q	20.9	Very low	23.3	Very low	183 Å²	183	161.8 Å²	161.8	86%	0.855	85%	0.847	S	S	*	*			trans	-75.9	163.3	178	-74.9	174.7	-33.9	0	0	113.4
343	L	20.7	Very low	23.1	Very low	172 Å²	172	160 Å²	160	90%	0.901	84%	0.842	S	S	*	*			trans	-47	142.1	174.3	-76.1	72.1	0	0	0	115
344	S	21.5	Very low	22.9	Very low	126 Å²	126	156.8 Å²	156.8	88%	0.881	84%	0.841	S	S	*	*			trans	-152	148.8	134.7	60	0	0	0	0	111.5
345	S	20.4	Very low	22.7	Very low	100 Å²	100	153.7 Å²	153.7	70%	0.699	83%	0.833	S	S	*	*			trans	-108.1	152.5	-153.7	45.8	0	0	0	0	114.8
346	T	22.9	Very low	22.4	Very low	130 Å²	130	152.7 Å²	152.7	80%	0.798	83%	0.827	S	S	*	*			trans	72.6	160.5	154.4	54.3	0	0	0	0	120.1
347	P	24.4	Very low	22.2	Very low	115 Å²	115	147.1 Å²	147.1	75%	0.747	82%	0.82	S	S	*	*			cis	-132.6	152.1	-45.7	34.8	-18.4	0	0	0	113.8
348	C	20	Very low	22	Very low	130 Å²	130	147.6 Å²	147.6	88%	0.878	82%	0.818	S	S	*	*			trans	-83.6	145.3	168.9	-76.5	0	0	0	0	112.6
349	P	22.5	Very low	22	Very low	112 Å²	112	148.9 Å²	148.9	73%	0.727	82%	0.817	S	S	*	*			trans	-91.2	129.5	165.1	17.1	-0.8	0	0	0	113.1
350	S	21.3	Very low	22	Very low	117 Å²	117	148.9 Å²	148.9	82%	0.818	82%	0.817	S	S	*	*			trans	35	121.5	137.1	31.5	0	0	0	0	122.1
351	I	24.7	Very low	22.3	Very low	163 Å²	163	144.8 Å²	144.8	84%	0.836	82%	0.822	S	S	*	*			trans	-78	144.9	163.8	-61.8	164.9	0	0	0	110.8
352	K	21.8	Very low	22.6	Very low	185 Å²	185	142.2 Å²	142.2	80%	0.804	81%	0.81	S	S	*	*			trans	-139.9	115.3	147.3	-81	-169	174.2	-174.2	0	108.2
353	E	22.7	Very low	23	Very low	172 Å²	172	142.2 Å²	142.2	80%	0.804	81%	0.807	S	S	*	*				62.7	122.4	114.1	-71.7	175.5	156.5	0	0	113.4
354	S	23.3	Very low	23.7	Very low	124 Å²	124	138 Å²	138	87%	0.867	78%	0.782	S	S	*	*				-158.6	159.5	59.5	53.9	0	0	0	0	114.4
355	C	20.6	Very low	24.7	Very low	108 Å²	108	137.4 Å²	137.4	73%	0.73	76%	0.76	S	S	*	*			trans	-108.2	175.3	-176.1	-172	0	0	0	0	111.8
356	L	20.1	Very low	26.2	Very low	154 Å²	154	136.1 Å²	136.1	81%	0.806	74%	0.74	S	S	*	*			trans	94.7	126.4	160.6	-51.2	170.8	0	0	0	114
357	T	21.4	Very low	28.9	Very low	124 Å²	124	134.2 Å²	134.2	76%	0.761	73%	0.725	S	S	*	*			cis	-150.6	155.2	19	50.8	0	0	0	0	107.9
358	Q	22.3	Very low	31.9	Very low	182 Å²	182	129.7 Å²	129.7	85%	0.85	70%	0.695	S	S	*	*				-169.5	137.2	74.9	-117.8	173.2	1.3	0	0	109.7
359	R	25.1	Very low	35.1	Very low	232 Å²	232	125 Å²	125	88%	0.875	66%	0.663	S	S	*	*			trans	-80.3	121.9	173.5	-72.6	176	174	-179.7	-2.8	109.7
360	Q	22.9	Very low	38.2	Very low	179 Å²	179	122.8 Å²	122.8	84%	0.836	65%	0.648	S	S	*	*			trans	-131.8	131.7	152.9	-81.5	-176.4	-13.5	0	0	107.5	S362	Q360-S362 PolarHBondContact O-N 2.96Å; Q360-S362 VanDerWaalsContact O-N 3.15Å
361	G	27.5	Very low	41.4	Very low	89 Å²	89	117.2 Å²	117.2	92%	0.918	61%	0.609	S	S	*	*			trans	-59.7	115.7	179.1	0	0	0	0	0	110.2
362	S	28.1	Very low	44.6	Very low	89 Å²	89	109.6 Å²	109.6	62%	0.622	57%	0.57	S	S	*	*			trans	-100.9	116.4	177	62.8	0	0	0	0	110.1	Q360 F364	Q360-S362 PolarHBondContact O-N 2.96Å; Q360-S362 VanDerWaalsContact O-N 3.15Å; S362-F364 PolarHBondContact O-N 3.39Å
363	K	28.9	Very low	47.7	Very low	183 Å²	183	103.5 Å²	103.5	80%	0.796	55%	0.546	S	S	*	.			trans	-41.2	129.6	141.4	-83.5	176.1	169.4	177.8	0	106.9	R365	K363-R365 PolarHBondContact O-N 3.24Å
364	F	35.8	Very low	50.9	Low	85 Å²	85	98.8 Å²	98.8	37%	0.373	52%	0.523	S	S	.	.			trans	-61.4	102.4	176.9	-101.6	-71.5	0	0	0	109.5	F186 R188 S362 R366	F186-F364 HydrophobicContact CD1-CD2 4.48Å; R188-F364 VanDerWaalsContact NH1-CZ 3.26Å; S362-F364 PolarHBondContact O-N 3.39Å; F364-R366 PolarHBondContact O-N 3.46Å
365	R	43	Very low	54.1	Low	112 Å²	112	93.6 Å²	93.6	42%	0.423	49%	0.486	S	S	.	.			trans	-71	113.7	171.7	-80.6	-176.5	173.1	-158.1	-4.8	107.5	K363 D367 E599 V600 N603	K363-R365 PolarHBondContact O-N 3.24Å; R365-D367 PolarHBondContact O-N 2.95Å; R365-E599 HydrophobicContact CG-CB 4.28Å; R365-E599 VanDerWaalsContact CZ-O 3.31Å; R365-E599 IonicContact CZ-OE2 3.39Å; R365-E599 IonicContact NE-OE2 3.4Å; R365-E599 PolarHBondContact NH1-O 3.27Å; R365-E599 PolarHBondContact NH2-O 3.09Å; R365-E599 IonicContact NH2-OE2 2.96Å; R365-E599 PolarHBondContact NH2-OE2 2.69Å; R365-V600 HydrophobicContact CB-CG1 3.63Å; R365-V600 HydrophobicContact CG-CG1 3.88Å; R365-N603 PolarHBondContact NH1-ND2 2.98Å
366	R	50.7	Low	57.5	Low	74 Å²	74	89.5 Å²	89.5	28%	0.279	46%	0.462	S	S	.	.			trans	-53.6	133.1	162.9	-79.2	-166.3	179.2	-163.5	1.5	108.3	F364 I371 E374 Y597 V600	F364-R366 PolarHBondContact O-N 3.46Å; R366-I371 HydrophobicContact CB-CD1 3.88Å; R366-I371 HydrophobicContact CB-CG1 4.2Å; R366-E374 IonicContact NH1-OE1 3.64Å; R366-E374 IonicContact NH1-OE2 2.72Å; R366-Y597 HydrophobicContact CG-CE1 4.23Å; R366-Y597 PolarHBondContact NE-OH 3.4Å; R366-Y597 PolarHBondContact NH1-OH 3.28Å; R366-Y597 VanDerWaalsContact NH1-OH 3.14Å; R366-Y597 PolarHBondContact NH2-OH 3.26Å; R366-V600 WeakPolarHBondContact O-CG1 3.5Å
367	D	80.6	Confident	60.8	Low	89 Å²	89	90.4 Å²	90.4	48%	0.476	46%	0.46	S	S	.	.			trans	-67.2	138.2	179.3	-176.3	64.4	0	0	0	111.1	R365 S369 T370 I371	R365-D367 PolarHBondContact O-N 2.95Å; D367-S369 PolarHBondContact O-N 2.77Å; D367-S369 WeakPolarHBondContact OD2-CB 3.43Å; D367-S369 PolarHBondContact OD2-N 3.37Å; D367-S369 PolarHBondContact OD2-OG 3.14Å; D367-T370 PolarHBondContact O-N 3.31Å; D367-T370 VanDerWaalsContact O-N 3.14Å; D367-I371 PolarHBondContact O-N 3.38Å
368	I	87.6	Confident	64.1	Low	21 Å²	21	88 Å²	88	11%	0.108	44%	0.44	C	S	.	.	H	α-helix	trans	-62.4	-34.2	-175	-171.1	57.6	0	0	0	111.7	T370 I371 L372 V600 F601 I604 P666	I368-T370 VanDerWaalsContact C-N 3.3Å; I368-T370 PolarHBondContact O-N 2.9Å; I368-I371 PolarHBondContact O-N 2.8Å; I368-L372 HydrophobicContact CD1-CG 4.3Å; I368-L372 HydrophobicContact CG1-CD1 4.14Å; I368-L372 HydrophobicContact CG1-CG 4.35Å; I368-L372 WeakPolarHBondContact O-CG 3.32Å; I368-L372 PolarHBondContact O-N 3.4Å; I368-V600 HydrophobicContact CB-CB 4.49Å; I368-V600 HydrophobicContact CD1-CG2 4.33Å; I368-F601 HydrophobicContact CD1-CD1 4.04Å; I368-F601 HydrophobicContact CD1-CD2 4.02Å; I368-F601 HydrophobicContact CD1-CE1 3.92Å; I368-F601 HydrophobicContact CD1-CE2 3.88Å; I368-F601 HydrophobicContact CD1-CG 4.1Å; I368-F601 HydrophobicContact CD1-CZ 3.84Å; I368-I604 HydrophobicContact CD1-CD1 3.78Å; I368-I604 HydrophobicContact CD1-CG1 4.33Å; I368-I604 HydrophobicContact CG1-CD1 3.67Å; I368-I604 HydrophobicContact CG1-CG1 4.14Å; I368-I604 HydrophobicContact CG1-CG2 4.08Å; I368-I604 HydrophobicContact CG2-CG2 4.21Å; I368-P666 HydrophobicContact CG1-CB 4.27Å; I368-P666 HydrophobicContact CG2-CB 4.17Å
369	S	86.5	Confident	67.5	Low	30 Å²	30	81.3 Å²	81.3	21%	0.21	41%	0.409	C	S	.	.	H	α-helix	trans	-62.5	-40.8	178.5	76.2	0	0	0	0	110.9	D367 I371 L372 L373 P666	D367-S369 PolarHBondContact O-N 2.77Å; D367-S369 WeakPolarHBondContact OD2-CB 3.43Å; D367-S369 PolarHBondContact OD2-N 3.37Å; D367-S369 PolarHBondContact OD2-OG 3.14Å; S369-I371 PolarHBondContact O-N 3.15Å; S369-L372 PolarHBondContact O-N 3.4Å; S369-L373 VanDerWaalsContact O-CB 3.31Å; S369-L373 WeakPolarHBondContact O-CB 3.3Å; S369-L373 WeakPolarHBondContact O-CD1 3.46Å; S369-L373 WeakPolarHBondContact O-CG 3.49Å; S369-L373 PolarHBondContact O-N 2.97Å; S369-P666 VanDerWaalsContact CA-O 3.31Å; S369-P666 WeakPolarHBondContact CA-O 3.46Å; S369-P666 WeakPolarHBondContact CB-O 3.49Å
370	T	86.8	Confident	70.7	Confident	67 Å²	67	75.5 Å²	75.5	41%	0.411	39%	0.391	S	S	.	.	H	α-helix	trans	-64.2	-44.4	-179.8	-58.8	0	0	0	0	111	D367 I368 L372 L373 E374	D367-T370 PolarHBondContact O-N 3.31Å; D367-T370 VanDerWaalsContact O-N 3.14Å; I368-T370 VanDerWaalsContact C-N 3.3Å; I368-T370 PolarHBondContact O-N 2.9Å; T370-L372 PolarHBondContact O-N 3.25Å; T370-L373 PolarHBondContact O-N 3.11Å; T370-E374 WeakPolarHBondContact O-CG 3.43Å; T370-E374 PolarHBondContact O-N 3.29Å
371	I	88.6	Confident	73.7	Confident	0 Å²	0	76.9 Å²	76.9	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-63.1	-44.4	178.7	-62.4	164.8	0	0	0	110.9	R366 D367 I368 S369 E374 L375 K593 Y597 V600 F601	R366-I371 HydrophobicContact CB-CD1 3.88Å; R366-I371 HydrophobicContact CB-CG1 4.2Å; D367-I371 PolarHBondContact O-N 3.38Å; I368-I371 PolarHBondContact O-N 2.8Å; S369-I371 PolarHBondContact O-N 3.15Å; I371-E374 WeakPolarHBondContact O-CB 3.36Å; I371-E374 PolarHBondContact O-N 3.39Å; I371-L375 WeakPolarHBondContact O-CG 3.49Å; I371-L375 PolarHBondContact O-N 3.2Å; I371-L375 VanDerWaalsContact O-N 3.08Å; I371-K593 HydrophobicContact CG2-CB 4.01Å; I371-K593 HydrophobicContact CG2-CD 3.99Å; I371-K593 HydrophobicContact CG2-CG 4.01Å; I371-Y597 HydrophobicContact CD1-CD2 3.62Å; I371-Y597 HydrophobicContact CD1-CE2 4.33Å; I371-Y597 HydrophobicContact CD1-CG 3.82Å; I371-Y597 HydrophobicContact CG1-CD2 4.19Å; I371-Y597 HydrophobicContact CG1-CE2 4.48Å; I371-V600 HydrophobicContact CD1-CG2 3.67Å; I371-F601 HydrophobicContact CD1-CE2 4.45Å; I371-F601 HydrophobicContact CG2-CE2 4.02Å; I371-F601 HydrophobicContact CG2-CZ 4.06Å
372	L	91.9	Very high	76.8	Confident	3 Å²	3	78.8 Å²	78.8	2%	0.016	38%	0.377	C	S	.	.	H	α-helix	trans	-69.4	-33.9	179.1	-65.3	-179.8	0	0	0	112.4	I368 S369 T370 L375 G376 L479 F601 P666 A667	I368-L372 HydrophobicContact CD1-CG 4.3Å; I368-L372 HydrophobicContact CG1-CD1 4.14Å; I368-L372 HydrophobicContact CG1-CG 4.35Å; I368-L372 WeakPolarHBondContact O-CG 3.32Å; I368-L372 PolarHBondContact O-N 3.4Å; S369-L372 PolarHBondContact O-N 3.4Å; T370-L372 PolarHBondContact O-N 3.25Å; L372-L375 HydrophobicContact CD2-CD1 4.38Å; L372-L375 PolarHBondContact O-N 3.21Å; L372-G376 PolarHBondContact O-N 3.03Å; L372-L479 HydrophobicContact CD1-CD2 4.46Å; L372-L479 HydrophobicContact CD2-CB 3.92Å; L372-F601 HydrophobicContact CD2-CE1 4.3Å; L372-F601 HydrophobicContact CD2-CZ 4.35Å; L372-P666 HydrophobicContact CD1-CB 3.69Å; L372-P666 HydrophobicContact CD1-CG 4.46Å; L372-A667 HydrophobicContact CB-CB 3.99Å; L372-A667 HydrophobicContact CD1-CB 4.28Å
373	L	87.9	Confident	79.7	Confident	57 Å²	57	76.5 Å²	76.5	30%	0.298	36%	0.363	S	S	.	.	H	α-helix	trans	-63.8	-41.6	172.9	-72.9	171.5	0	0	0	112	S369 T370 G376 F377 K670	S369-L373 VanDerWaalsContact O-CB 3.31Å; S369-L373 WeakPolarHBondContact O-CB 3.3Å; S369-L373 WeakPolarHBondContact O-CD1 3.46Å; S369-L373 WeakPolarHBondContact O-CG 3.49Å; S369-L373 PolarHBondContact O-N 2.97Å; T370-L373 PolarHBondContact O-N 3.11Å; L373-G376 WeakPolarHBondContact O-CA 3.43Å; L373-G376 PolarHBondContact O-N 3.09Å; L373-G376 VanDerWaalsContact O-N 3.13Å; L373-F377 PolarHBondContact O-N 3.37Å; L373-K670 VanDerWaalsContact CD2-CE 3.49Å
374	E	89.8	Confident	82.8	Confident	72 Å²	72	70 Å²	70	34%	0.336	34%	0.335	S	S	.	.	H	α-helix	trans	-59.7	-49	173.5	-74.6	174.1	-170.5	0	0	111.4	R366 T370 I371 G376 F377 K593	R366-E374 IonicContact NH1-OE1 3.64Å; R366-E374 IonicContact NH1-OE2 2.72Å; T370-E374 WeakPolarHBondContact O-CG 3.43Å; T370-E374 PolarHBondContact O-N 3.29Å; I371-E374 WeakPolarHBondContact O-CB 3.36Å; I371-E374 PolarHBondContact O-N 3.39Å; E374-G376 PolarHBondContact O-N 3.31Å; E374-F377 WeakPolarHBondContact O-CB 3.35Å; E374-F377 WeakPolarHBondContact O-CD2 3.17Å; E374-F377 PolarHBondContact O-N 3.38Å; E374-F377 VanDerWaalsContact O-N 3.13Å; E374-K593 IonicContact OE2-NZ 3.09Å
375	L	91.1	Very high	85.4	Confident	15 Å²	15	73.1 Å²	73.1	8%	0.079	34%	0.344	C	S	.	.	H	α-helix	trans	-60.3	-33.8	174.3	-67.7	-177.3	0	0	0	111.4	I371 L372 F377 Q378 V480 L588 V590 K593	I371-L375 WeakPolarHBondContact O-CG 3.49Å; I371-L375 PolarHBondContact O-N 3.2Å; I371-L375 VanDerWaalsContact O-N 3.08Å; L372-L375 HydrophobicContact CD2-CD1 4.38Å; L372-L375 PolarHBondContact O-N 3.21Å; L375-F377 PolarHBondContact O-N 2.98Å; L375-Q378 VanDerWaalsContact O-CD 3.27Å; L375-Q378 WeakPolarHBondContact O-CG 3.3Å; L375-Q378 PolarHBondContact O-N 3.11Å; L375-Q378 PolarHBondContact O-NE2 3.23Å; L375-V480 HydrophobicContact CB-CG1 4.07Å; L375-V480 HydrophobicContact CB-CG2 3.82Å; L375-V480 HydrophobicContact CD1-CG2 3.91Å; L375-V480 WeakPolarHBondContact O-CG1 3.31Å; L375-L588 WeakPolarHBondContact CD2-O 3.4Å; L375-V590 HydrophobicContact CD1-CG2 3.85Å; L375-K593 HydrophobicContact CD1-CB 4.44Å; L375-K593 HydrophobicContact CD1-CG 4.02Å; L375-K593 HydrophobicContact CD2-CG 3.87Å; L375-K593 HydrophobicContact CG-CG 4.18Å
376	G	91.3	Very high	87.7	Confident	22 Å²	22	67.8 Å²	67.8	23%	0.227	32%	0.324	C	S	.	.	H	α-helix	trans	-64	-22	176.8	0	0	0	0	0	114.4	L372 L373 E374 Q378 I379	L372-G376 PolarHBondContact O-N 3.03Å; L373-G376 WeakPolarHBondContact O-CA 3.43Å; L373-G376 PolarHBondContact O-N 3.09Å; L373-G376 VanDerWaalsContact O-N 3.13Å; E374-G376 PolarHBondContact O-N 3.31Å; G376-Q378 PolarHBondContact O-N 3.26Å; G376-I379 WeakPolarHBondContact O-CB 3.45Å; G376-I379 WeakPolarHBondContact O-CG1 3.39Å; G376-I379 PolarHBondContact O-N 2.82Å
377	F	88.6	Confident	89.6	Confident	173 Å²	173	67.3 Å²	67.3	76%	0.759	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-19.5	179.3	-67	-44.5	0	0	0	113.9	L373 E374 L375 I379	L373-F377 PolarHBondContact O-N 3.37Å; E374-F377 WeakPolarHBondContact O-CB 3.35Å; E374-F377 WeakPolarHBondContact O-CD2 3.17Å; E374-F377 PolarHBondContact O-N 3.38Å; E374-F377 VanDerWaalsContact O-N 3.13Å; L375-F377 PolarHBondContact O-N 2.98Å; F377-I379 PolarHBondContact O-N 3.37Å
378	Q	92.3	Very high	90	Very high	73 Å²	73	63.1 Å²	63.1	34%	0.341	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-9.4	175.3	80.2	-158.6	-39.8	0	0	113	L375 G376 K380 L588	L375-Q378 VanDerWaalsContact O-CD 3.27Å; L375-Q378 WeakPolarHBondContact O-CG 3.3Å; L375-Q378 PolarHBondContact O-N 3.11Å; L375-Q378 PolarHBondContact O-NE2 3.23Å; G376-Q378 PolarHBondContact O-N 3.26Å; Q378-K380 PolarHBondContact O-N 3.32Å; Q378-L588 HydrophobicContact CG-CD2 3.84Å; Q378-L588 PolarHBondContact NE2-O 3.14Å
379	I	92.8	Very high	89.9	Confident	42 Å²	42	63.7 Å²	63.7	22%	0.215	31%	0.306	C	S	.	.			trans	-70.7	118.4	177.6	-56.4	-52.6	0	0	0	109.8	G376 F377 S409 V480 H481 L588	G376-I379 WeakPolarHBondContact O-CB 3.45Å; G376-I379 WeakPolarHBondContact O-CG1 3.39Å; G376-I379 PolarHBondContact O-N 2.82Å; F377-I379 PolarHBondContact O-N 3.37Å; I379-S409 CarbonylContact C-O 3.48Å; I379-S409 WeakPolarHBondContact CA-O 3.28Å; I379-V480 HydrophobicContact CD1-CG1 4.06Å; I379-V480 HydrophobicContact CG1-CG1 4.26Å; I379-H481 WeakPolarHBondContact CD1-NE2 3.45Å; I379-L588 HydrophobicContact CD1-CD1 4.33Å; I379-L588 HydrophobicContact CD1-CD2 4.33Å
380	K	91.6	Very high	89.4	Confident	110 Å²	110	65.6 Å²	65.6	48%	0.478	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	141.5	-178.9	-60.2	176.2	-179.2	176.2	0	109.6	Q378 K382 S409 Y410 T411	Q378-K380 PolarHBondContact O-N 3.32Å; K380-K382 PolarHBondContact O-N 3.24Å; K380-S409 WeakPolarHBondContact CB-O 3.48Å; K380-S409 PolarHBondContact N-O 2.67Å; K380-Y410 HydrophobicContact CB-CD1 4.23Å; K380-Y410 HydrophobicContact CD-CD1 4.08Å; K380-Y410 HydrophobicContact CD-CE1 3.89Å; K380-T411 PolarHBondContact O-N 3.16Å; K380-T411 PolarHBondContact O-OG1 3.34Å
381	K	87.6	Confident	88.9	Confident	209 Å²	209	65.8 Å²	65.8	91%	0.909	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.9	-20	175.8	-65.8	-173.4	177.7	-175.6	0	114.7	A383	K381-A383 PolarHBondContact O-N 3.15Å
382	K	91.4	Very high	88.6	Confident	129 Å²	129	69.2 Å²	69.2	56%	0.561	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.4	121.1	176.2	-179.7	172.5	174.9	-179.4	0	109.2	K380 Y410 T411	K380-K382 PolarHBondContact O-N 3.24Å; K382-Y410 HydrophobicContact CB-CD1 4.23Å; K382-Y410 HydrophobicContact CB-CE1 4.33Å; K382-Y410 HydrophobicContact CD-CD1 4.5Å; K382-Y410 HydrophobicContact CD-CD2 4.46Å; K382-Y410 HydrophobicContact CD-CE1 3.94Å; K382-Y410 HydrophobicContact CD-CE2 3.94Å; K382-Y410 HydrophobicContact CG-CD1 4.46Å; K382-Y410 HydrophobicContact CG-CD2 4.44Å; K382-Y410 HydrophobicContact CG-CE1 4.38Å; K382-Y410 HydrophobicContact CG-CE2 4.4Å; K382-Y410 HydrophobicContact CG-CG 4.49Å; K382-Y410 PolarHBondContact NZ-OH 3.41Å; K382-Y410 WeakPolarHBondContact O-CA 3.45Å; K382-Y410 VanDerWaalsContact O-CB 3.25Å; K382-Y410 WeakPolarHBondContact O-CB 3.33Å; K382-T411 PolarHBondContact O-N 3.48Å
383	A	89.7	Confident	88.2	Confident	41 Å²	41	69.7 Å²	69.7	34%	0.339	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	147.1	-179.2	0	0	0	0	0	113	K381 T411 E413	K381-A383 PolarHBondContact O-N 3.15Å; A383-T411 CarbonylContact C-O 3.59Å; A383-T411 VanDerWaalsContact CA-O 3.25Å; A383-T411 WeakPolarHBondContact CA-O 3.19Å; A383-E413 VanDerWaalsContact CB-CD 3.48Å; A383-E413 HydrophobicContact CB-CG 4.02Å; A383-E413 WeakPolarHBondContact CB-OE1 3.42Å
384	K	92.9	Very high	88.1	Confident	46 Å²	46	69.6 Å²	69.6	20%	0.2	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	113.2	168.8	175.3	56.8	179.3	160.4	0	107.8	L386 F406 Y410 T411 E413	K384-L386 HydrophobicContact CG-CD2 3.95Å; K384-F406 HydrophobicContact CG-CD2 4.08Å; K384-F406 HydrophobicContact CG-CE2 4.47Å; K384-Y410 HydrophobicContact CB-CD2 4.24Å; K384-T411 PolarHBondContact N-O 3.33Å; K384-E413 PolarHBondContact O-N 3.47Å
385	R	91.3	Very high	88	Confident	150 Å²	150	73.6 Å²	73.6	57%	0.566	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	129.6	171.7	-66.3	179.3	-160.5	164.9	7	110.2	E413	R385-E413 CarbonylContact C-O 3.53Å; R385-E413 WeakPolarHBondContact CA-O 3Å; R385-E413 HydrophobicContact CG-CB 3.93Å; R385-E413 WeakPolarHBondContact CG-OE2 3.18Å; R385-E413 IonicContact NE-OE2 2.8Å; R385-E413 PolarHBondContact NE-OE2 3.31Å
386	L	91.4	Very high	87.9	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	120.5	175.1	-53.5	-177.5	0	0	0	108	K384 I388 Q400 F401 F406 I412 E413 M415 F434	K384-L386 HydrophobicContact CG-CD2 3.95Å; L386-I388 HydrophobicContact CB-CD1 4.14Å; L386-I388 HydrophobicContact CB-CG1 4.32Å; L386-Q400 HydrophobicContact CD2-CB 4.09Å; L386-F401 HydrophobicContact CD1-CE1 3.8Å; L386-F406 HydrophobicContact CD2-CD2 4.15Å; L386-F406 HydrophobicContact CD2-CE2 4.07Å; L386-I412 HydrophobicContact CD1-CG1 4.5Å; L386-I412 HydrophobicContact CD1-CG2 3.48Å; L386-I412 VanDerWaalsContact CD1-CG2 3.48Å; L386-I412 HydrophobicContact CG-CG2 4.07Å; L386-E413 PolarHBondContact N-O 3.45Å; L386-M415 PolarHBondContact O-N 3.11Å; L386-F434 HydrophobicContact CD1-CE1 4.13Å; L386-F434 HydrophobicContact CD1-CZ 4.35Å
387	H	89.6	Confident	87.8	Confident	65 Å²	65	72.3 Å²	72.3	30%	0.301	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	111.4	176.3	-63.8	-112.5	0	0	0	107.4	M415 V417 E426	H387-M415 CarbonylContact C-O 3.45Å; H387-M415 WeakPolarHBondContact CA-O 3.5Å; H387-V417 HydrophobicContact CB-CG2 4.22Å; H387-E426 IonicContact CE1-OE1 2.91Å; H387-E426 PolarHBondContact CE1-OE1 3.35Å; H387-E426 IonicContact CE1-OE2 3.3Å; H387-E426 IonicContact ND1-OE1 2.9Å; H387-E426 PolarHBondContact ND1-OE1 2.94Å
388	I	89.8	Confident	87.9	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	123.8	-172.8	-55.9	-57.3	0	0	0	108.8	L386 V393 Q400 V414 M415 Y416 V417 F434	L386-I388 HydrophobicContact CB-CD1 4.14Å; L386-I388 HydrophobicContact CB-CG1 4.32Å; I388-V393 HydrophobicContact CG2-CB 4.24Å; I388-V393 HydrophobicContact CG2-CG1 3.88Å; I388-V393 HydrophobicContact CG2-CG2 4.13Å; I388-Q400 HydrophobicContact CD1-CG 4.38Å; I388-V414 HydrophobicContact CG1-CG1 4.04Å; I388-M415 PolarHBondContact N-O 2.98Å; I388-Y416 HydrophobicContact CB-CD1 4.09Å; I388-Y416 HydrophobicContact CB-CE1 4.13Å; I388-Y416 HydrophobicContact CG2-CD1 4.12Å; I388-Y416 HydrophobicContact CG2-CE1 3.85Å; I388-Y416 WeakPolarHBondContact O-CA 3.45Å; I388-V417 PolarHBondContact O-N 3.18Å; I388-F434 HydrophobicContact CD1-CE2 3.75Å; I388-F434 HydrophobicContact CD1-CZ 4.2Å; I388-F434 HydrophobicContact CG1-CD2 4.08Å; I388-F434 HydrophobicContact CG1-CE2 3.8Å; I388-F434 HydrophobicContact CG2-CD2 4.49Å; I388-F434 HydrophobicContact CG2-CE2 4.38Å
389	N	85.2	Confident	87.8	Confident	33 Å²	33	66.4 Å²	66.4	18%	0.176	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	120.2	176.1	-177.4	-21.4	0	0	0	108.8	A391 N392 V393 S396 E419	N389-A391 PolarHBondContact O-N 2.86Å; N389-A391 WeakPolarHBondContact OD1-CB 3.08Å; N389-A391 PolarHBondContact OD1-N 2.86Å; N389-N392 CarbonylContact O-C 3.53Å; N389-N392 PolarHBondContact O-N 3.43Å; N389-N392 VanDerWaalsContact O-N 3.13Å; N389-V393 WeakPolarHBondContact O-CA 3.33Å; N389-V393 PolarHBondContact O-N 3.27Å; N389-S396 PolarHBondContact N-OG 3.03Å; N389-S396 VanDerWaalsContact N-OG 3.1Å; N389-E419 PolarHBondContact ND2-OE1 3.49Å
390	K	76.4	Confident	87.7	Confident	71 Å²	71	66.4 Å²	66.4	31%	0.309	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-60.1	-34.2	179.4	-76.7	-172.3	171.3	-172.5	0	112.6	N392 Y416 V417 E721	K390-N392 VanDerWaalsContact C-N 3.31Å; K390-N392 PolarHBondContact O-N 3.19Å; K390-Y416 HydrophobicContact CG-CD1 3.62Å; K390-Y416 HydrophobicContact CG-CE1 4.39Å; K390-Y416 HydrophobicContact CG-CG 4.07Å; K390-V417 PolarHBondContact N-O 3.24Å; K390-E721 IonicContact NZ-OE2 3.8Å; K390-E721 PolarHBondContact NZ-OE2 2.91Å; K390-E721 VanDerWaalsContact NZ-OE2 3.09Å
391	A	77.1	Confident	87.7	Confident	71 Å²	71	61.4 Å²	61.4	59%	0.587	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-73.3	-23.1	179.3	0	0	0	0	0	112.9	N389	N389-A391 PolarHBondContact O-N 2.86Å; N389-A391 WeakPolarHBondContact OD1-CB 3.08Å; N389-A391 PolarHBondContact OD1-N 2.86Å
392	N	81.8	Confident	87.8	Confident	72 Å²	72	56.1 Å²	56.1	39%	0.385	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-147.3	70.4	178.3	-161.3	-19.1	0	0	0	112	N389 K390 W394 R395 S396	N389-N392 CarbonylContact O-C 3.53Å; N389-N392 PolarHBondContact O-N 3.43Å; N389-N392 VanDerWaalsContact O-N 3.13Å; K390-N392 VanDerWaalsContact C-N 3.31Å; K390-N392 PolarHBondContact O-N 3.19Å; N392-W394 VanDerWaalsContact C-N 3.32Å; N392-W394 PolarHBondContact O-N 3.48Å; N392-R395 WeakPolarHBondContact OD1-CB 3.17Å; N392-R395 PolarHBondContact OD1-N 3.26Å; N392-S396 WeakPolarHBondContact O-CB 3.48Å; N392-S396 PolarHBondContact O-N 3.36Å; N392-S396 VanDerWaalsContact O-N 3.13Å; N392-S396 PolarHBondContact O-OG 2.86Å
393	V	83.3	Confident	87.7	Confident	12 Å²	12	52.3 Å²	52.3	7%	0.073	26%	0.257	C	S	.	.	H	α-helix	trans	-60.1	-42.3	-177.2	175.6	0	0	0	0	111.3	I388 N389 S396 T397 Y441	I388-V393 HydrophobicContact CG2-CB 4.24Å; I388-V393 HydrophobicContact CG2-CG1 3.88Å; I388-V393 HydrophobicContact CG2-CG2 4.13Å; N389-V393 WeakPolarHBondContact O-CA 3.33Å; N389-V393 PolarHBondContact O-N 3.27Å; V393-S396 PolarHBondContact O-OG 3.45Å; V393-T397 VanDerWaalsContact O-CB 3.25Å; V393-T397 WeakPolarHBondContact O-CB 3.31Å; V393-T397 PolarHBondContact O-N 3.37Å; V393-T397 PolarHBondContact O-OG1 2.75Å; V393-Y441 HydrophobicContact CB-CE2 3.71Å; V393-Y441 HydrophobicContact CG1-CD2 4.32Å; V393-Y441 HydrophobicContact CG1-CE2 3.75Å; V393-Y441 HydrophobicContact CG2-CE2 4.39Å
394	W	85.2	Confident	87.3	Confident	55 Å²	55	60 Å²	60	21%	0.208	29%	0.286	C	S	.	.	H	α-helix	trans	-62.5	-53.9	-177.7	176.8	-107.5	0	0	0	112.3	N392 T397 L398 L438 L442 M474	N392-W394 VanDerWaalsContact C-N 3.32Å; N392-W394 PolarHBondContact O-N 3.48Å; W394-T397 PolarHBondContact O-N 3.01Å; W394-L398 HydrophobicContact CD2-CD1 4.32Å; W394-L398 HydrophobicContact CG-CD1 4.47Å; W394-L398 HydrophobicContact CZ2-CD1 3.92Å; W394-L398 HydrophobicContact CZ2-CD2 4.21Å; W394-L398 HydrophobicContact CZ2-CG 4.25Å; W394-L398 VanDerWaalsContact NE1-CD1 3.28Å; W394-L398 PolarHBondContact O-N 2.76Å; W394-L438 HydrophobicContact CE3-CD1 4.4Å; W394-L438 HydrophobicContact CZ3-CD1 4.25Å; W394-L442 HydrophobicContact CH2-CD2 3.66Å; W394-L442 HydrophobicContact CZ3-CD2 3.68Å; W394-L442 HydrophobicContact CZ3-CG 4.35Å; W394-M474 HydrophobicContact CE3-CE 4.48Å; W394-M474 HydrophobicContact CE3-SD 4.5Å; W394-M474 HydrophobicContact CH2-CE 4.01Å; W394-M474 HydrophobicContact CH2-SD 3.69Å; W394-M474 HydrophobicContact CZ3-CE 3.89Å; W394-M474 HydrophobicContact CZ3-SD 3.49Å; W394-M474 WeakPolarHBondContact CZ3-SD 3.5Å
395	R	87.1	Confident	86.8	Confident	156 Å²	156	66.1 Å²	66.1	59%	0.589	31%	0.313	S	S	*	.	H	α-helix	trans	-64.1	-46.5	-177.9	-173.6	-178.4	-179.8	127.5	0.9	111.7	N392 T397 L398 E399	N392-R395 WeakPolarHBondContact OD1-CB 3.17Å; N392-R395 PolarHBondContact OD1-N 3.26Å; R395-T397 VanDerWaalsContact C-N 3.27Å; R395-T397 PolarHBondContact O-N 3.43Å; R395-L398 PolarHBondContact O-N 3.45Å; R395-E399 IonicContact NE-OE1 3.68Å; R395-E399 PolarHBondContact NE-OE1 3.06Å; R395-E399 WeakPolarHBondContact O-CG 3.49Å; R395-E399 PolarHBondContact O-N 3.5Å
396	S	89	Confident	86.8	Confident	11 Å²	11	60 Å²	60	8%	0.077	29%	0.291	C	S	.	.	H	α-helix	trans	-62.3	-36.4	178	56.7	0	0	0	0	111.8	N389 N392 V393 E399 Q400	N389-S396 PolarHBondContact N-OG 3.03Å; N389-S396 VanDerWaalsContact N-OG 3.1Å; N392-S396 WeakPolarHBondContact O-CB 3.48Å; N392-S396 PolarHBondContact O-N 3.36Å; N392-S396 VanDerWaalsContact O-N 3.13Å; N392-S396 PolarHBondContact O-OG 2.86Å; V393-S396 PolarHBondContact O-OG 3.45Å; S396-E399 PolarHBondContact O-N 2.9Å; S396-Q400 VanDerWaalsContact O-CG 3.29Å; S396-Q400 WeakPolarHBondContact O-CG 3.34Å; S396-Q400 PolarHBondContact O-N 2.98Å; S396-Q400 VanDerWaalsContact O-N 3.11Å
397	T	90.5	Very high	86.8	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-63.7	-46.8	173.7	-58.1	0	0	0	0	112.1	V393 W394 R395 E399 Q400 F401 F434 L438 M474	V393-T397 VanDerWaalsContact O-CB 3.25Å; V393-T397 WeakPolarHBondContact O-CB 3.31Å; V393-T397 PolarHBondContact O-N 3.37Å; V393-T397 PolarHBondContact O-OG1 2.75Å; W394-T397 PolarHBondContact O-N 3.01Å; R395-T397 VanDerWaalsContact C-N 3.27Å; R395-T397 PolarHBondContact O-N 3.43Å; T397-E399 VanDerWaalsContact C-N 3.34Å; T397-E399 PolarHBondContact O-N 3.12Å; T397-Q400 PolarHBondContact O-N 3.01Å; T397-F401 HydrophobicContact CG2-CD1 4.19Å; T397-F401 HydrophobicContact CG2-CD2 4.33Å; T397-F401 HydrophobicContact CG2-CE1 4.14Å; T397-F401 HydrophobicContact CG2-CE2 4.28Å; T397-F401 HydrophobicContact CG2-CG 4.29Å; T397-F401 HydrophobicContact CG2-CZ 4.19Å; T397-F401 WeakPolarHBondContact O-CB 3.3Å; T397-F401 PolarHBondContact O-N 3.19Å; T397-F434 HydrophobicContact CG2-CE2 4.25Å; T397-F434 HydrophobicContact CG2-CZ 3.76Å; T397-F434 WeakPolarHBondContact OG1-CE2 3.14Å; T397-L438 HydrophobicContact CG2-CD1 4.08Å; T397-M474 HydrophobicContact CG2-CE 3.97Å
398	L	90.8	Very high	87	Confident	16 Å²	16	60.8 Å²	60.8	8%	0.084	30%	0.299	C	S	.	.	H	α-helix	trans	-57.6	-47.3	177.6	-76.3	172.3	0	0	0	111.3	W394 R395 Q400 F401 Q402 L467 E470 M474	W394-L398 HydrophobicContact CD2-CD1 4.32Å; W394-L398 HydrophobicContact CG-CD1 4.47Å; W394-L398 HydrophobicContact CZ2-CD1 3.92Å; W394-L398 HydrophobicContact CZ2-CD2 4.21Å; W394-L398 HydrophobicContact CZ2-CG 4.25Å; W394-L398 VanDerWaalsContact NE1-CD1 3.28Å; W394-L398 PolarHBondContact O-N 2.76Å; R395-L398 PolarHBondContact O-N 3.45Å; L398-Q400 VanDerWaalsContact C-N 3.29Å; L398-Q400 PolarHBondContact O-N 3.01Å; L398-F401 PolarHBondContact O-N 2.78Å; L398-Q402 VanDerWaalsContact O-CB 3.27Å; L398-Q402 WeakPolarHBondContact O-CB 3.27Å; L398-Q402 WeakPolarHBondContact O-CG 3.35Å; L398-Q402 PolarHBondContact O-N 3.32Å; L398-L467 HydrophobicContact CD1-CD2 3.8Å; L398-L467 HydrophobicContact CD2-CD2 4.13Å; L398-E470 HydrophobicContact CD2-CB 3.69Å; L398-E470 HydrophobicContact CD2-CG 3.91Å; L398-M474 HydrophobicContact CD2-CE 3.5Å; L398-M474 HydrophobicContact CG-CE 4.04Å
399	E	90.1	Very high	87.3	Confident	105 Å²	105	61.9 Å²	61.9	49%	0.491	31%	0.306	S	S	.	.	H	α-helix	trans	-58.5	-40.8	177.9	-70.9	170.9	-174.5	0	0	111.9	R395 S396 T397 S403	R395-E399 IonicContact NE-OE1 3.68Å; R395-E399 PolarHBondContact NE-OE1 3.06Å; R395-E399 WeakPolarHBondContact O-CG 3.49Å; R395-E399 PolarHBondContact O-N 3.5Å; S396-E399 PolarHBondContact O-N 2.9Å; T397-E399 VanDerWaalsContact C-N 3.34Å; T397-E399 PolarHBondContact O-N 3.12Å; E399-S403 PolarHBondContact O-N 3.05Å
400	Q	91	Very high	87.7	Confident	42 Å²	42	62.5 Å²	62.5	20%	0.196	31%	0.306	C	S	.	.	H	α-helix	trans	-68.1	-42	176.1	-66.2	-60.5	-41.7	0	0	112.5	L386 I388 S396 T397 L398 S403 F406	L386-Q400 HydrophobicContact CD2-CB 4.09Å; I388-Q400 HydrophobicContact CD1-CG 4.38Å; S396-Q400 VanDerWaalsContact O-CG 3.29Å; S396-Q400 WeakPolarHBondContact O-CG 3.34Å; S396-Q400 PolarHBondContact O-N 2.98Å; S396-Q400 VanDerWaalsContact O-N 3.11Å; T397-Q400 PolarHBondContact O-N 3.01Å; L398-Q400 VanDerWaalsContact C-N 3.29Å; L398-Q400 PolarHBondContact O-N 3.01Å; Q400-S403 VanDerWaalsContact O-CB 3.3Å; Q400-S403 WeakPolarHBondContact O-CB 3.35Å; Q400-S403 PolarHBondContact O-N 3.08Å; Q400-F406 WeakPolarHBondContact O-CB 3.44Å
401	F	91.4	Very high	88.5	Confident	5 Å²	5	61.3 Å²	61.3	2%	0.022	31%	0.305	C	S	.	.	H	α-helix	trans	-77.8	-27.3	-174.9	-83.5	25.3	0	0	0	113.2	L386 T397 L398 S403 F406 F434 L438 K473 M474 I477	L386-F401 HydrophobicContact CD1-CE1 3.8Å; T397-F401 HydrophobicContact CG2-CD1 4.19Å; T397-F401 HydrophobicContact CG2-CD2 4.33Å; T397-F401 HydrophobicContact CG2-CE1 4.14Å; T397-F401 HydrophobicContact CG2-CE2 4.28Å; T397-F401 HydrophobicContact CG2-CG 4.29Å; T397-F401 HydrophobicContact CG2-CZ 4.19Å; T397-F401 WeakPolarHBondContact O-CB 3.3Å; T397-F401 PolarHBondContact O-N 3.19Å; L398-F401 PolarHBondContact O-N 2.78Å; F401-S403 VanDerWaalsContact C-N 3.32Å; F401-F406 HydrophobicContact CD1-CD2 4.42Å; F401-F406 HydrophobicContact CD1-CE1 4.15Å; F401-F406 HydrophobicContact CD1-CE2 4.03Å; F401-F406 AromaticContact CD1-CZ 3.88Å; F401-F406 HydrophobicContact CD1-CZ 3.88Å; F401-F406 HydrophobicContact CE1-CE1 4.45Å; F401-F406 AromaticContact CE1-CE2 3.97Å; F401-F406 HydrophobicContact CE1-CE2 3.97Å; F401-F406 AromaticContact CE1-CZ 3.79Å; F401-F406 HydrophobicContact CE1-CZ 3.79Å; F401-F406 HydrophobicContact CG-CE1 4.24Å; F401-F406 HydrophobicContact CG-CZ 4.38Å; F401-F406 HydrophobicContact CZ-CZ 4.23Å; F401-F434 HydrophobicContact CZ-CE1 4.46Å; F401-L438 HydrophobicContact CE2-CD2 4.46Å; F401-K473 PolarHBondContact O-NZ 3.4Å; F401-M474 HydrophobicContact CD2-CE 4.27Å; F401-M474 HydrophobicContact CD2-CG 3.82Å; F401-M474 HydrophobicContact CE2-CG 3.72Å; F401-I477 HydrophobicContact CD2-CD1 4.01Å; F401-I477 HydrophobicContact CE2-CD1 3.5Å; F401-I477 HydrophobicContact CZ-CD1 3.93Å; F401-I477 HydrophobicContact CZ-CG2 4.26Å
402	Q	89.8	Confident	89.3	Confident	99 Å²	99	58.3 Å²	58.3	46%	0.463	28%	0.279	S	S	.	.	H	α-helix	trans	-82.1	-12.1	175	-68.8	174.8	-6.5	0	0	112.5	L398 Q404 E470	L398-Q402 VanDerWaalsContact O-CB 3.27Å; L398-Q402 WeakPolarHBondContact O-CB 3.27Å; L398-Q402 WeakPolarHBondContact O-CG 3.35Å; L398-Q402 PolarHBondContact O-N 3.32Å; Q402-Q404 PolarHBondContact O-N 3.38Å; Q402-E470 HydrophobicContact CG-CG 4.27Å
403	S	88	Confident	89.8	Confident	48 Å²	48	58.6 Å²	58.6	34%	0.336	28%	0.278	S	S	.	.	S	Bend	trans	-59.6	131.4	176.4	-173.7	0	0	0	0	111.6	E399 Q400 F401 K405 F406	E399-S403 PolarHBondContact O-N 3.05Å; Q400-S403 VanDerWaalsContact O-CB 3.3Å; Q400-S403 WeakPolarHBondContact O-CB 3.35Å; Q400-S403 PolarHBondContact O-N 3.08Å; F401-S403 VanDerWaalsContact C-N 3.32Å; S403-K405 PolarHBondContact O-N 3.34Å; S403-K405 PolarHBondContact OG-N 3.36Å; S403-F406 WeakPolarHBondContact O-CB 3.37Å; S403-F406 PolarHBondContact O-N 3.15Å
404	Q	81.1	Confident	90.1	Very high	203 Å²	203	58.3 Å²	58.3	95%	0.949	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-19.9	175.4	-66.3	-176.9	-0.6	0	0	113.8	Q402	Q402-Q404 PolarHBondContact O-N 3.38Å
405	K	83.3	Confident	90.3	Very high	174 Å²	174	57 Å²	57	76%	0.757	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-9.2	178.8	-63.4	-179.8	-177.9	175.4	0	112.9	S403	S403-K405 PolarHBondContact O-N 3.34Å; S403-K405 PolarHBondContact OG-N 3.36Å
406	F	90.5	Very high	90.2	Very high	23 Å²	23	50.5 Å²	50.5	10%	0.101	25%	0.248	C	C	.	.			trans	-75.5	132	178.8	-178.4	-106.2	0	0	0	110.2	K384 L386 Q400 F401 S403 P408 I477	K384-F406 HydrophobicContact CG-CD2 4.08Å; K384-F406 HydrophobicContact CG-CE2 4.47Å; L386-F406 HydrophobicContact CD2-CD2 4.15Å; L386-F406 HydrophobicContact CD2-CE2 4.07Å; Q400-F406 WeakPolarHBondContact O-CB 3.44Å; F401-F406 HydrophobicContact CD1-CD2 4.42Å; F401-F406 HydrophobicContact CD1-CE1 4.15Å; F401-F406 HydrophobicContact CD1-CE2 4.03Å; F401-F406 AromaticContact CD1-CZ 3.88Å; F401-F406 HydrophobicContact CD1-CZ 3.88Å; F401-F406 HydrophobicContact CE1-CE1 4.45Å; F401-F406 AromaticContact CE1-CE2 3.97Å; F401-F406 HydrophobicContact CE1-CE2 3.97Å; F401-F406 AromaticContact CE1-CZ 3.79Å; F401-F406 HydrophobicContact CE1-CZ 3.79Å; F401-F406 HydrophobicContact CG-CE1 4.24Å; F401-F406 HydrophobicContact CG-CZ 4.38Å; F401-F406 HydrophobicContact CZ-CZ 4.23Å; S403-F406 WeakPolarHBondContact O-CB 3.37Å; S403-F406 PolarHBondContact O-N 3.15Å; F406-P408 HydrophobicContact CE1-CB 4.15Å; F406-I477 HydrophobicContact CE1-CD1 3.79Å; F406-I477 HydrophobicContact CZ-CD1 3.84Å
407	N	92.4	Very high	89.9	Confident	49 Å²	49	52.3 Å²	52.3	26%	0.262	26%	0.259	S	S	.	.			trans	-127	119.6	172.9	-173	-51.7	0	0	0	107.8	S409 Y410	N407-S409 PolarHBondContact O-N 2.81Å; N407-S409 VanDerWaalsContact O-N 3.13Å; N407-S409 VanDerWaalsContact OD1-CB 3.3Å; N407-S409 WeakPolarHBondContact OD1-CB 3.2Å; N407-S409 PolarHBondContact OD1-N 3.41Å; N407-Y410 HydrophobicContact CB-CD1 4.13Å; N407-Y410 HydrophobicContact CB-CD2 3.78Å; N407-Y410 HydrophobicContact CB-CE1 4.18Å; N407-Y410 HydrophobicContact CB-CE2 3.8Å; N407-Y410 HydrophobicContact CB-CG 3.94Å; N407-Y410 PolarHBondContact O-N 3.32Å
408	P	94.3	Very high	89	Confident	32 Å²	32	54.4 Å²	54.4	21%	0.208	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-17.3	-175.8	27	-35.1	0	0	0	113.2	F406 I477 H481 T587 L588	F406-P408 HydrophobicContact CE1-CB 4.15Å; P408-I477 HydrophobicContact CB-CD1 4.14Å; P408-I477 HydrophobicContact CB-CG1 4.08Å; P408-H481 PolarHBondContact O-NE2 3.04Å; P408-T587 HydrophobicContact CB-CG2 3.67Å; P408-T587 HydrophobicContact CG-CG2 3.83Å; P408-L588 HydrophobicContact CB-CD1 4.24Å; P408-L588 HydrophobicContact CB-CD2 4.3Å; P408-L588 HydrophobicContact CB-CG 4.17Å
409	S	94.9	Very high	87.5	Confident	22 Å²	22	60.3 Å²	60.3	15%	0.154	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	0	175.8	-49.3	0	0	0	0	113.6	I379 K380 N407 L588	I379-S409 CarbonylContact C-O 3.48Å; I379-S409 WeakPolarHBondContact CA-O 3.28Å; K380-S409 WeakPolarHBondContact CB-O 3.48Å; K380-S409 PolarHBondContact N-O 2.67Å; N407-S409 PolarHBondContact O-N 2.81Å; N407-S409 VanDerWaalsContact O-N 3.13Å; N407-S409 VanDerWaalsContact OD1-CB 3.3Å; N407-S409 WeakPolarHBondContact OD1-CB 3.2Å; N407-S409 PolarHBondContact OD1-N 3.41Å; S409-L588 WeakPolarHBondContact OG-CD2 3.35Å
410	Y	94.9	Very high	85.9	Confident	46 Å²	46	62.4 Å²	62.4	18%	0.18	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	143.6	174.2	-71.9	-7.5	0	0	0	111	K380 K382 K384 N407 I412 H481	K380-Y410 HydrophobicContact CB-CD1 4.23Å; K380-Y410 HydrophobicContact CD-CD1 4.08Å; K380-Y410 HydrophobicContact CD-CE1 3.89Å; K382-Y410 HydrophobicContact CB-CD1 4.23Å; K382-Y410 HydrophobicContact CB-CE1 4.33Å; K382-Y410 HydrophobicContact CD-CD1 4.5Å; K382-Y410 HydrophobicContact CD-CD2 4.46Å; K382-Y410 HydrophobicContact CD-CE1 3.94Å; K382-Y410 HydrophobicContact CD-CE2 3.94Å; K382-Y410 HydrophobicContact CG-CD1 4.46Å; K382-Y410 HydrophobicContact CG-CD2 4.44Å; K382-Y410 HydrophobicContact CG-CE1 4.38Å; K382-Y410 HydrophobicContact CG-CE2 4.4Å; K382-Y410 HydrophobicContact CG-CG 4.49Å; K382-Y410 PolarHBondContact NZ-OH 3.41Å; K382-Y410 WeakPolarHBondContact O-CA 3.45Å; K382-Y410 VanDerWaalsContact O-CB 3.25Å; K382-Y410 WeakPolarHBondContact O-CB 3.33Å; K384-Y410 HydrophobicContact CB-CD2 4.24Å; N407-Y410 HydrophobicContact CB-CD1 4.13Å; N407-Y410 HydrophobicContact CB-CD2 3.78Å; N407-Y410 HydrophobicContact CB-CE1 4.18Å; N407-Y410 HydrophobicContact CB-CE2 3.8Å; N407-Y410 HydrophobicContact CB-CG 3.94Å; N407-Y410 PolarHBondContact O-N 3.32Å; Y410-I412 PolarHBondContact O-N 2.98Å; Y410-H481 PolarHBondContact O-CE1 3.09Å; Y410-H481 VanDerWaalsContact O-CE1 3.22Å
411	T	92.8	Very high	84	Confident	47 Å²	47	62.8 Å²	62.8	29%	0.288	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	129.8	171.7	-60.9	0	0	0	0	109.8	K380 K382 A383 K384	K380-T411 PolarHBondContact O-N 3.16Å; K380-T411 PolarHBondContact O-OG1 3.34Å; K382-T411 PolarHBondContact O-N 3.48Å; A383-T411 CarbonylContact C-O 3.59Å; A383-T411 VanDerWaalsContact CA-O 3.25Å; A383-T411 WeakPolarHBondContact CA-O 3.19Å; K384-T411 PolarHBondContact N-O 3.33Å
412	I	92.8	Very high	81.8	Confident	7 Å²	7	70.7 Å²	70.7	4%	0.036	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	126.1	179.8	-66.1	171.4	0	0	0	109.9	L386 Y410 V414 K431 I477	L386-I412 HydrophobicContact CD1-CG1 4.5Å; L386-I412 HydrophobicContact CD1-CG2 3.48Å; L386-I412 VanDerWaalsContact CD1-CG2 3.48Å; L386-I412 HydrophobicContact CG-CG2 4.07Å; Y410-I412 PolarHBondContact O-N 2.98Å; I412-V414 HydrophobicContact CG2-CG2 3.96Å; I412-K431 HydrophobicContact CB-CD 4.11Å; I412-K431 HydrophobicContact CB-CG 4.34Å; I412-K431 HydrophobicContact CG2-CG 4.25Å; I412-I477 HydrophobicContact CD1-CG2 3.65Å
413	E	91.9	Very high	80	Confident	79 Å²	79	72.1 Å²	72.1	37%	0.369	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	128.8	167.8	-72.6	174	-174.5	0	0	108	A383 K384 R385 L386	A383-E413 VanDerWaalsContact CB-CD 3.48Å; A383-E413 HydrophobicContact CB-CG 4.02Å; A383-E413 WeakPolarHBondContact CB-OE1 3.42Å; K384-E413 PolarHBondContact O-N 3.47Å; R385-E413 CarbonylContact C-O 3.53Å; R385-E413 WeakPolarHBondContact CA-O 3Å; R385-E413 HydrophobicContact CG-CB 3.93Å; R385-E413 WeakPolarHBondContact CG-OE2 3.18Å; R385-E413 IonicContact NE-OE2 2.8Å; R385-E413 PolarHBondContact NE-OE2 3.31Å; L386-E413 PolarHBondContact N-O 3.45Å
414	V	90.8	Very high	78.4	Confident	5 Å²	5	72.4 Å²	72.4	3%	0.03	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	131	-176.9	-177.4	0	0	0	0	109.2	I388 I412 Y416 G429 F434	I388-V414 HydrophobicContact CG1-CG1 4.04Å; I412-V414 HydrophobicContact CG2-CG2 3.96Å; V414-Y416 HydrophobicContact CG1-CD2 4.34Å; V414-Y416 HydrophobicContact CG1-CE2 3.96Å; V414-G429 PolarHBondContact O-N 3.25Å; V414-F434 HydrophobicContact CG1-CB 4.15Å; V414-F434 HydrophobicContact CG1-CD2 4.42Å; V414-F434 HydrophobicContact CG1-CG 4.29Å; V414-F434 HydrophobicContact CG2-CB 3.81Å; V414-F434 HydrophobicContact CG2-CD1 3.87Å; V414-F434 HydrophobicContact CG2-CG 3.84Å
415	M	89	Confident	77.2	Confident	28 Å²	28	69 Å²	69	14%	0.138	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	119.7	172.7	-60.4	-56.1	-60.5	0	0	108.3	L386 H387 I388 E426 H427 P428	L386-M415 PolarHBondContact O-N 3.11Å; H387-M415 CarbonylContact C-O 3.45Å; H387-M415 WeakPolarHBondContact CA-O 3.5Å; I388-M415 PolarHBondContact N-O 2.98Å; M415-E426 HydrophobicContact CE-CB 3.59Å; M415-H427 WeakPolarHBondContact CA-O 3.45Å; M415-P428 HydrophobicContact CE-CB 4.33Å; M415-P428 HydrophobicContact SD-CB 4.14Å
416	Y	85.3	Confident	76.5	Confident	20 Å²	20	65.4 Å²	65.4	8%	0.078	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	136.4	174.6	-74.3	-71.8	0	0	0	110.6	I388 K390 V414 H427	I388-Y416 HydrophobicContact CB-CD1 4.09Å; I388-Y416 HydrophobicContact CB-CE1 4.13Å; I388-Y416 HydrophobicContact CG2-CD1 4.12Å; I388-Y416 HydrophobicContact CG2-CE1 3.85Å; I388-Y416 WeakPolarHBondContact O-CA 3.45Å; K390-Y416 HydrophobicContact CG-CD1 3.62Å; K390-Y416 HydrophobicContact CG-CE1 4.39Å; K390-Y416 HydrophobicContact CG-CG 4.07Å; V414-Y416 HydrophobicContact CG1-CD2 4.34Å; V414-Y416 HydrophobicContact CG1-CE2 3.96Å; Y416-H427 PolarHBondContact N-O 3.08Å; Y416-H427 PolarHBondContact O-N 2.83Å; Y416-H427 VanDerWaalsContact O-N 3.16Å
417	V	81.8	Confident	75.7	Confident	49 Å²	49	68.6 Å²	68.6	30%	0.297	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	130.1	176.9	-171.9	0	0	0	0	108.4	H387 I388 K390	H387-V417 HydrophobicContact CB-CG2 4.22Å; I388-V417 PolarHBondContact O-N 3.18Å; K390-V417 PolarHBondContact N-O 3.24Å
418	S	71.5	Confident	75.1	Confident	44 Å²	44	71 Å²	71	31%	0.308	38%	0.38	S	S	.	.			trans	-103.3	126.7	175.2	-65.4	0	0	0	0	109.7	N420 D421	S418-N420 PolarHBondContact O-N 3.34Å; S418-D421 PolarHBondContact O-N 3.41Å
419	E	61.1	Low	74.5	Confident	139 Å²	139	70.2 Å²	70.2	65%	0.65	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-25.3	179.6	-69.6	-175.1	169.6	0	0	113.3	N389	N389-E419 PolarHBondContact ND2-OE1 3.49Å
420	N	55.3	Low	74.1	Confident	149 Å²	149	69.4 Å²	69.4	80%	0.797	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-5.4	-174.1	-70.2	-18.1	0	0	0	114.7	S418 N422	S418-N420 PolarHBondContact O-N 3.34Å; N420-N422 PolarHBondContact O-N 2.89Å
421	D	52.1	Low	73.8	Confident	51 Å²	51	70.3 Å²	70.3	27%	0.273	38%	0.376	S	S	.	.			trans	-93.3	95	179	-139.3	17	0	0	0	108.1	S418 L423 G424 R425	S418-D421 PolarHBondContact O-N 3.41Å; D421-L423 PolarHBondContact O-N 2.85Å; D421-G424 PolarHBondContact O-N 3.22Å; D421-R425 IonicContact OD1-NH2 3.55Å; D421-R425 PolarHBondContact OD1-NH2 3.16Å; D421-R425 IonicContact OD2-CZ 3.4Å; D421-R425 IonicContact OD2-NE 3.52Å; D421-R425 PolarHBondContact OD2-NE 3.21Å; D421-R425 IonicContact OD2-NH2 2.77Å; D421-R425 PolarHBondContact OD2-NH2 3.15Å
422	N	44.8	Very low	73.7	Confident	170 Å²	170	68.7 Å²	68.7	91%	0.909	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-3.8	176.4	-73.6	-34.6	0	0	0	114	N420	N420-N422 PolarHBondContact O-N 2.89Å
423	L	52.2	Low	73.4	Confident	130 Å²	130	69.6 Å²	69.6	68%	0.681	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-4.6	176.7	-78.6	150.3	0	0	0	113.9	D421 R425	D421-L423 PolarHBondContact O-N 2.85Å; L423-R425 VanDerWaalsContact C-N 3.26Å; L423-R425 HydrophobicContact CB-CG 4.47Å; L423-R425 PolarHBondContact O-N 3.18Å
424	G	53.2	Low	73.4	Confident	54 Å²	54	65.9 Å²	65.9	56%	0.557	35%	0.352	S	S	*	.			trans	58.4	34.1	177.9	0	0	0	0	0	113.8	D421 E426	D421-G424 PolarHBondContact O-N 3.22Å; G424-E426 PolarHBondContact O-N 3.41Å; G424-E426 VanDerWaalsContact O-N 3.16Å
425	R	57.3	Low	73.5	Confident	131 Å²	131	65.6 Å²	65.6	49%	0.494	35%	0.351	S	S	.	.			trans	-68.1	115.1	-179.8	-81.8	-174.9	-79	-132.8	-4.2	110.4	D421 L423	D421-R425 IonicContact OD1-NH2 3.55Å; D421-R425 PolarHBondContact OD1-NH2 3.16Å; D421-R425 IonicContact OD2-CZ 3.4Å; D421-R425 IonicContact OD2-NE 3.52Å; D421-R425 PolarHBondContact OD2-NE 3.21Å; D421-R425 IonicContact OD2-NH2 2.77Å; D421-R425 PolarHBondContact OD2-NH2 3.15Å; L423-R425 VanDerWaalsContact C-N 3.26Å; L423-R425 HydrophobicContact CB-CG 4.47Å; L423-R425 PolarHBondContact O-N 3.18Å
426	E	67.1	Low	73.5	Confident	98 Å²	98	64.6 Å²	64.6	46%	0.458	35%	0.346	S	S	.	.			trans	-81.3	126.2	171.2	-56.2	-172.8	158.9	0	0	109.2	H387 M415 G424	H387-E426 IonicContact CE1-OE1 2.91Å; H387-E426 PolarHBondContact CE1-OE1 3.35Å; H387-E426 IonicContact CE1-OE2 3.3Å; H387-E426 IonicContact ND1-OE1 2.9Å; H387-E426 PolarHBondContact ND1-OE1 2.94Å; M415-E426 HydrophobicContact CE-CB 3.59Å; G424-E426 PolarHBondContact O-N 3.41Å; G424-E426 VanDerWaalsContact O-N 3.16Å
427	H	74	Confident	73.7	Confident	91 Å²	91	66.9 Å²	66.9	42%	0.421	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	126.8	176	-66.1	-74.2	0	0	0	110.1	M415 Y416 G429	M415-H427 WeakPolarHBondContact CA-O 3.45Å; Y416-H427 PolarHBondContact N-O 3.08Å; Y416-H427 PolarHBondContact O-N 2.83Å; Y416-H427 VanDerWaalsContact O-N 3.16Å; H427-G429 PolarHBondContact O-N 3.31Å
428	P	80	Confident	74.1	Confident	100 Å²	100	64.5 Å²	64.5	65%	0.649	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.5	128	174.8	25.5	-31.9	0	0	0	109.9	M415	M415-P428 HydrophobicContact CE-CB 4.33Å; M415-P428 HydrophobicContact SD-CB 4.14Å
429	G	82	Confident	75.2	Confident	14 Å²	14	62.8 Å²	62.8	14%	0.144	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	153.5	180	0	0	0	0	0	112.5	V414 H427 K431	V414-G429 PolarHBondContact O-N 3.25Å; H427-G429 PolarHBondContact O-N 3.31Å; G429-K431 PolarHBondContact O-N 3.13Å
430	S	86.2	Confident	76.5	Confident	6 Å²	6	59.3 Å²	59.3	4%	0.042	31%	0.314	C	S	.	.			trans	-70.5	125.3	172	175.3	0	0	0	0	110.2	Q432 E433 F434 K687	S430-Q432 PolarHBondContact O-N 2.91Å; S430-Q432 PolarHBondContact OG-N 3.13Å; S430-E433 PolarHBondContact O-N 3.13Å; S430-E433 PolarHBondContact OG-N 3.36Å; S430-F434 PolarHBondContact O-N 3.35Å; S430-K687 WeakPolarHBondContact CB-O 3.27Å; S430-K687 PolarHBondContact OG-O 3.18Å
431	K	89.8	Confident	78.2	Confident	65 Å²	65	56.5 Å²	56.5	28%	0.283	29%	0.293	S	S	.	.	H	α-helix	trans	-57.5	-38.8	172.6	-178.8	-171.4	60.6	161.3	0	111.1	I412 G429 L435 H481	I412-K431 HydrophobicContact CB-CD 4.11Å; I412-K431 HydrophobicContact CB-CG 4.34Å; I412-K431 HydrophobicContact CG2-CG 4.25Å; G429-K431 PolarHBondContact O-N 3.13Å; K431-L435 HydrophobicContact CG-CD1 4.12Å; K431-L435 VanDerWaalsContact O-CG 3.29Å; K431-L435 WeakPolarHBondContact O-CG 3.47Å; K431-L435 PolarHBondContact O-N 3.29Å; K431-H481 PolarHBondContact NZ-O 3.36Å
432	Q	89.1	Confident	80.2	Confident	12 Å²	12	54 Å²	54	6%	0.056	28%	0.28	C	S	.	.	H	α-helix	trans	-70	-41.8	-176.7	-68.2	-164	17.2	0	0	111.8	S430 L435 S436 N690	S430-Q432 PolarHBondContact O-N 2.91Å; S430-Q432 PolarHBondContact OG-N 3.13Å; Q432-L435 PolarHBondContact O-N 3.42Å; Q432-S436 WeakPolarHBondContact O-CB 3.44Å; Q432-S436 PolarHBondContact O-N 3.45Å; Q432-N690 PolarHBondContact NE2-ND2 3.5Å
433	E	87.9	Confident	82.4	Confident	27 Å²	27	48 Å²	48	13%	0.126	25%	0.246	C	C	.	.	H	α-helix	trans	-58.6	-49.8	172.7	-179.1	172.8	-143.7	0	0	111.7	S430 L435 S436 H437 G660 K687	S430-E433 PolarHBondContact O-N 3.13Å; S430-E433 PolarHBondContact OG-N 3.36Å; E433-L435 PolarHBondContact O-N 2.96Å; E433-S436 PolarHBondContact O-N 3.35Å; E433-S436 VanDerWaalsContact O-N 3.15Å; E433-H437 PolarHBondContact O-CD2 3.49Å; E433-H437 VanDerWaalsContact O-CD2 3.22Å; E433-H437 PolarHBondContact O-N 3.33Å; E433-G660 WeakPolarHBondContact CA-O 3.46Å; E433-K687 IonicContact OE1-NZ 3.67Å; E433-K687 PolarHBondContact OE1-NZ 3.4Å
434	F	91.1	Very high	84.3	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-55.3	-48.5	176.8	167.6	-105.8	0	0	0	112.5	L386 I388 T397 F401 V414 S430 S436 H437 L438	L386-F434 HydrophobicContact CD1-CE1 4.13Å; L386-F434 HydrophobicContact CD1-CZ 4.35Å; I388-F434 HydrophobicContact CD1-CE2 3.75Å; I388-F434 HydrophobicContact CD1-CZ 4.2Å; I388-F434 HydrophobicContact CG1-CD2 4.08Å; I388-F434 HydrophobicContact CG1-CE2 3.8Å; I388-F434 HydrophobicContact CG2-CD2 4.49Å; I388-F434 HydrophobicContact CG2-CE2 4.38Å; T397-F434 HydrophobicContact CG2-CE2 4.25Å; T397-F434 HydrophobicContact CG2-CZ 3.76Å; T397-F434 WeakPolarHBondContact OG1-CE2 3.14Å; F401-F434 HydrophobicContact CZ-CE1 4.46Å; V414-F434 HydrophobicContact CG1-CB 4.15Å; V414-F434 HydrophobicContact CG1-CD2 4.42Å; V414-F434 HydrophobicContact CG1-CG 4.29Å; V414-F434 HydrophobicContact CG2-CB 3.81Å; V414-F434 HydrophobicContact CG2-CD1 3.87Å; V414-F434 HydrophobicContact CG2-CG 3.84Å; S430-F434 PolarHBondContact O-N 3.35Å; F434-S436 VanDerWaalsContact C-N 3.34Å; F434-S436 PolarHBondContact O-N 3Å; F434-H437 PolarHBondContact O-N 2.85Å; F434-L438 WeakPolarHBondContact O-CB 3.13Å; F434-L438 PolarHBondContact O-N 3.03Å
435	L	92.8	Very high	86.1	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-66.2	-36.5	178.8	-67.3	175	0	0	0	112	K431 Q432 E433 L438 M439 I477 H481	K431-L435 HydrophobicContact CG-CD1 4.12Å; K431-L435 VanDerWaalsContact O-CG 3.29Å; K431-L435 WeakPolarHBondContact O-CG 3.47Å; K431-L435 PolarHBondContact O-N 3.29Å; Q432-L435 PolarHBondContact O-N 3.42Å; E433-L435 PolarHBondContact O-N 2.96Å; L435-L438 HydrophobicContact CD2-CD2 4.49Å; L435-L438 WeakPolarHBondContact O-CB 3.49Å; L435-L438 PolarHBondContact O-N 2.97Å; L435-M439 PolarHBondContact O-N 3.29Å; L435-M439 VanDerWaalsContact O-N 3.15Å; L435-I477 HydrophobicContact CD2-CG2 4.25Å; L435-H481 HydrophobicContact CD1-CB 3.87Å
436	S	89.9	Confident	87.9	Confident	7 Å²	7	42.8 Å²	42.8	5%	0.049	23%	0.228	C	C	.	.	H	α-helix	trans	-64.4	-44.1	175.8	-174.1	0	0	0	0	111.8	Q432 E433 F434 L438 M439 Q440 T484	Q432-S436 WeakPolarHBondContact O-CB 3.44Å; Q432-S436 PolarHBondContact O-N 3.45Å; E433-S436 PolarHBondContact O-N 3.35Å; E433-S436 VanDerWaalsContact O-N 3.15Å; F434-S436 VanDerWaalsContact C-N 3.34Å; F434-S436 PolarHBondContact O-N 3Å; S436-L438 VanDerWaalsContact C-N 3.32Å; S436-L438 PolarHBondContact O-N 3.37Å; S436-M439 PolarHBondContact O-N 3.5Å; S436-Q440 PolarHBondContact O-N 3.33Å; S436-T484 WeakPolarHBondContact CA-OG1 3.29Å
437	H	88.6	Confident	89.2	Confident	67 Å²	67	38.2 Å²	38.2	31%	0.31	21%	0.206	S	C	.	.	H	α-helix	trans	-62.5	-39.5	173.6	-79.1	-63.4	0	0	0	112.2	E433 F434 M439 Q440 Y441	E433-H437 PolarHBondContact O-CD2 3.49Å; E433-H437 VanDerWaalsContact O-CD2 3.22Å; E433-H437 PolarHBondContact O-N 3.33Å; F434-H437 PolarHBondContact O-N 2.85Å; H437-M439 VanDerWaalsContact C-N 3.32Å; H437-M439 PolarHBondContact O-N 2.97Å; H437-Q440 WeakPolarHBondContact O-CB 3.47Å; H437-Q440 PolarHBondContact O-N 2.84Å; H437-Q440 VanDerWaalsContact O-N 3.15Å; H437-Y441 HydrophobicContact CB-CD2 4.43Å; H437-Y441 HydrophobicContact CB-CE2 4.29Å; H437-Y441 WeakPolarHBondContact O-CD2 3.45Å; H437-Y441 PolarHBondContact O-N 3.15Å
438	L	91.1	Very high	90.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.1	-43.1	178.2	-170.1	61.1	0	0	0	112	W394 T397 F401 F434 L435 S436 Q440 Y441 L442 M474	W394-L438 HydrophobicContact CE3-CD1 4.4Å; W394-L438 HydrophobicContact CZ3-CD1 4.25Å; T397-L438 HydrophobicContact CG2-CD1 4.08Å; F401-L438 HydrophobicContact CE2-CD2 4.46Å; F434-L438 WeakPolarHBondContact O-CB 3.13Å; F434-L438 PolarHBondContact O-N 3.03Å; L435-L438 HydrophobicContact CD2-CD2 4.49Å; L435-L438 WeakPolarHBondContact O-CB 3.49Å; L435-L438 PolarHBondContact O-N 2.97Å; S436-L438 VanDerWaalsContact C-N 3.32Å; S436-L438 PolarHBondContact O-N 3.37Å; L438-Q440 VanDerWaalsContact C-N 3.34Å; L438-Y441 PolarHBondContact O-N 3.45Å; L438-L442 WeakPolarHBondContact O-CG 3.42Å; L438-L442 PolarHBondContact O-N 3.42Å; L438-L442 VanDerWaalsContact O-N 3.09Å; L438-M474 HydrophobicContact CD1-CE 4.27Å; L438-M474 HydrophobicContact CD1-CG 4.22Å; L438-M474 HydrophobicContact CD1-SD 3.75Å; L438-M474 HydrophobicContact CD2-CB 3.77Å; L438-M474 HydrophobicContact CD2-CG 3.87Å; L438-M474 HydrophobicContact CD2-SD 4.5Å; L438-M474 HydrophobicContact CG-CB 4.17Å; L438-M474 HydrophobicContact CG-CG 4.31Å; L438-M474 HydrophobicContact CG-SD 4.35Å
439	M	92.8	Very high	90.9	Very high	7 Å²	7	31.9 Å²	31.9	3%	0.034	17%	0.168	C	C	.	.	H	α-helix	trans	-64.7	-39.2	175.8	-64.1	-56.1	92.7	0	0	111.9	L435 S436 H437 L442 E443 V475 T484 P486	L435-M439 PolarHBondContact O-N 3.29Å; L435-M439 VanDerWaalsContact O-N 3.15Å; S436-M439 PolarHBondContact O-N 3.5Å; H437-M439 VanDerWaalsContact C-N 3.32Å; H437-M439 PolarHBondContact O-N 2.97Å; M439-L442 HydrophobicContact CE-CD1 3.65Å; M439-L442 PolarHBondContact O-N 3.3Å; M439-L442 HydrophobicContact SD-CD1 4.45Å; M439-E443 PolarHBondContact O-N 3.07Å; M439-V475 HydrophobicContact CE-CG2 4.43Å; M439-V475 HydrophobicContact SD-CG2 4.35Å; M439-T484 WeakPolarHBondContact CG-O 3.34Å; M439-P486 HydrophobicContact SD-CG 3.81Å
440	Q	89.3	Confident	91.1	Very high	67 Å²	67	32.3 Å²	32.3	31%	0.313	17%	0.173	S	C	.	.	H	α-helix	trans	-63.9	-43.4	175.9	-171	-177	-7.3	0	0	111.9	S436 H437 L438 L442 E443 T444 R662	S436-Q440 PolarHBondContact O-N 3.33Å; H437-Q440 WeakPolarHBondContact O-CB 3.47Å; H437-Q440 PolarHBondContact O-N 2.84Å; H437-Q440 VanDerWaalsContact O-N 3.15Å; L438-Q440 VanDerWaalsContact C-N 3.34Å; Q440-L442 VanDerWaalsContact C-N 3.33Å; Q440-L442 PolarHBondContact O-N 2.86Å; Q440-E443 WeakPolarHBondContact O-CB 3.41Å; Q440-E443 PolarHBondContact O-N 3.31Å; Q440-T444 PolarHBondContact O-N 3.01Å; Q440-T444 VanDerWaalsContact O-N 3.15Å; Q440-T444 PolarHBondContact O-OG1 3.4Å; Q440-R662 VanDerWaalsContact NE2-NH2 3.17Å
441	Y	90.5	Very high	91	Very high	89 Å²	89	36.8 Å²	36.8	35%	0.349	20%	0.204	S	C	.	.	H	α-helix	trans	-60.3	-44.3	176.1	-80.7	-64.3	0	0	0	111.5	V393 H437 L438 E443 T444 S445	V393-Y441 HydrophobicContact CB-CE2 3.71Å; V393-Y441 HydrophobicContact CG1-CD2 4.32Å; V393-Y441 HydrophobicContact CG1-CE2 3.75Å; V393-Y441 HydrophobicContact CG2-CE2 4.39Å; H437-Y441 HydrophobicContact CB-CD2 4.43Å; H437-Y441 HydrophobicContact CB-CE2 4.29Å; H437-Y441 WeakPolarHBondContact O-CD2 3.45Å; H437-Y441 PolarHBondContact O-N 3.15Å; L438-Y441 PolarHBondContact O-N 3.45Å; Y441-E443 VanDerWaalsContact C-N 3.34Å; Y441-E443 PolarHBondContact O-N 3.13Å; Y441-T444 CarbonylContact O-C 3.43Å; Y441-T444 PolarHBondContact O-N 3.06Å; Y441-T444 PolarHBondContact O-OG1 3.03Å; Y441-S445 WeakPolarHBondContact O-CB 3.46Å; Y441-S445 PolarHBondContact O-N 3.19Å
442	L	93.6	Very high	90.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.9	-43.8	176.1	-70.5	176.9	0	0	0	111.7	W394 L438 M439 Q440 T444 S445 F448 A471 M474 V475 F488	W394-L442 HydrophobicContact CH2-CD2 3.66Å; W394-L442 HydrophobicContact CZ3-CD2 3.68Å; W394-L442 HydrophobicContact CZ3-CG 4.35Å; L438-L442 WeakPolarHBondContact O-CG 3.42Å; L438-L442 PolarHBondContact O-N 3.42Å; L438-L442 VanDerWaalsContact O-N 3.09Å; M439-L442 HydrophobicContact CE-CD1 3.65Å; M439-L442 PolarHBondContact O-N 3.3Å; M439-L442 HydrophobicContact SD-CD1 4.45Å; Q440-L442 VanDerWaalsContact C-N 3.33Å; Q440-L442 PolarHBondContact O-N 2.86Å; L442-T444 VanDerWaalsContact C-N 3.26Å; L442-T444 PolarHBondContact O-N 2.88Å; L442-S445 WeakPolarHBondContact O-CB 3.42Å; L442-S445 PolarHBondContact O-N 3.48Å; L442-S445 VanDerWaalsContact O-N 3.15Å; L442-S445 PolarHBondContact O-OG 3.06Å; L442-F448 HydrophobicContact CB-CE2 4.41Å; L442-F448 WeakPolarHBondContact O-CD2 3.33Å; L442-A471 HydrophobicContact CD2-CB 3.67Å; L442-M474 HydrophobicContact CD1-CB 4.19Å; L442-M474 HydrophobicContact CD2-SD 4.33Å; L442-V475 HydrophobicContact CD1-CG2 3.71Å; L442-F488 HydrophobicContact CB-CZ 4.14Å
443	E	92.4	Very high	90.7	Very high	44 Å²	44	42.3 Å²	42.3	21%	0.206	24%	0.241	C	C	.	.	H	α-helix	trans	-57.1	-40.7	177.2	-170.5	175.7	-179.3	0	0	111.5	M439 Q440 Y441 K454 F488 K608	M439-E443 PolarHBondContact O-N 3.07Å; Q440-E443 WeakPolarHBondContact O-CB 3.41Å; Q440-E443 PolarHBondContact O-N 3.31Å; Y441-E443 VanDerWaalsContact C-N 3.34Å; Y441-E443 PolarHBondContact O-N 3.13Å; E443-K454 WeakPolarHBondContact O-CE 3.41Å; E443-K454 PolarHBondContact O-NZ 2.96Å; E443-F488 VanDerWaalsContact CA-CE1 3.46Å; E443-F488 HydrophobicContact CB-CD1 3.49Å; E443-F488 VanDerWaalsContact CB-CD1 3.49Å; E443-F488 HydrophobicContact CB-CE1 3.45Å; E443-F488 VanDerWaalsContact CB-CE1 3.45Å; E443-F488 HydrophobicContact CB-CG 4.2Å; E443-F488 HydrophobicContact CB-CZ 4.11Å; E443-F488 HydrophobicContact CG-CB 4.13Å; E443-F488 HydrophobicContact CG-CD1 3.51Å; E443-F488 HydrophobicContact CG-CD2 4.48Å; E443-F488 HydrophobicContact CG-CE1 4.02Å; E443-F488 HydrophobicContact CG-CG 3.8Å; E443-K608 WeakPolarHBondContact OE1-CE 3.44Å; E443-K608 IonicContact OE1-NZ 3.39Å; E443-K608 PolarHBondContact OE1-NZ 3.4Å
444	T	90.6	Very high	91	Very high	102 Å²	102	42.4 Å²	42.4	63%	0.626	24%	0.241	S	C	*	.	H	α-helix	trans	-90.2	-1.4	-179.3	59.2	0	0	0	0	114.8	Q440 Y441 L442	Q440-T444 PolarHBondContact O-N 3.01Å; Q440-T444 VanDerWaalsContact O-N 3.15Å; Q440-T444 PolarHBondContact O-OG1 3.4Å; Y441-T444 CarbonylContact O-C 3.43Å; Y441-T444 PolarHBondContact O-N 3.06Å; Y441-T444 PolarHBondContact O-OG1 3.03Å; L442-T444 VanDerWaalsContact C-N 3.26Å; L442-T444 PolarHBondContact O-N 2.88Å
445	S	92.9	Very high	91.2	Very high	23 Å²	23	43 Å²	43	16%	0.161	25%	0.245	C	C	.	.	S	Bend	trans	-74.2	159.2	-175.1	73.3	0	0	0	0	112.4	Y441 L442 L447 F448	Y441-S445 WeakPolarHBondContact O-CB 3.46Å; Y441-S445 PolarHBondContact O-N 3.19Å; L442-S445 WeakPolarHBondContact O-CB 3.42Å; L442-S445 PolarHBondContact O-N 3.48Å; L442-S445 VanDerWaalsContact O-N 3.15Å; L442-S445 PolarHBondContact O-OG 3.06Å; S445-L447 PolarHBondContact O-N 2.97Å; S445-L447 WeakPolarHBondContact OG-CB 3.42Å; S445-L447 PolarHBondContact OG-N 2.93Å; S445-F448 PolarHBondContact O-N 3.49Å
446	S	93.4	Very high	91.4	Very high	79 Å²	79	43.2 Å²	43.2	55%	0.552	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	2	173.2	60.3	0	0	0	0	114	F448 T457	S446-F448 VanDerWaalsContact C-N 3.31Å; S446-T457 PolarHBondContact O-OG1 3.47Å
447	L	96.1	Very high	91.6	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-18.3	175.9	-55.6	179.4	0	0	0	112.5	S445 T457 A462 L467 Y468 A471	S445-L447 PolarHBondContact O-N 2.97Å; S445-L447 WeakPolarHBondContact OG-CB 3.42Å; S445-L447 PolarHBondContact OG-N 2.93Å; L447-T457 WeakPolarHBondContact CA-OG1 3.47Å; L447-T457 PolarHBondContact O-N 3.34Å; L447-T457 PolarHBondContact O-OG1 3.05Å; L447-T457 VanDerWaalsContact O-OG1 3.09Å; L447-A462 HydrophobicContact CD2-CB 3.43Å; L447-A462 VanDerWaalsContact CD2-CB 3.43Å; L447-L467 HydrophobicContact CD1-CB 4.2Å; L447-L467 HydrophobicContact CD2-CB 3.87Å; L447-L467 HydrophobicContact CD2-CD1 4.45Å; L447-Y468 HydrophobicContact CB-CD1 4.45Å; L447-Y468 HydrophobicContact CB-CE1 4.05Å; L447-Y468 HydrophobicContact CD2-CD1 4.3Å; L447-Y468 HydrophobicContact CD2-CE1 3.97Å; L447-Y468 HydrophobicContact CD2-CE2 4.37Å; L447-A471 HydrophobicContact CD1-CB 3.69Å
448	F	95.8	Very high	91.9	Very high	9 Å²	9	44.7 Å²	44.7	4%	0.039	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	142.7	-177.6	-62.7	-86.3	0	0	0	110.4	L442 S445 S446 K454 N455 L456 F488 F489 L493 F581	L442-F448 HydrophobicContact CB-CE2 4.41Å; L442-F448 WeakPolarHBondContact O-CD2 3.33Å; S445-F448 PolarHBondContact O-N 3.49Å; S446-F448 VanDerWaalsContact C-N 3.31Å; F448-K454 HydrophobicContact CB-CB 3.98Å; F448-K454 HydrophobicContact CB-CD 3.99Å; F448-N455 CarbonylContact C-O 3.46Å; F448-N455 WeakPolarHBondContact CA-O 3.16Å; F448-L456 HydrophobicContact CD1-CD2 3.88Å; F448-L456 HydrophobicContact CE1-CD2 3.51Å; F448-L456 HydrophobicContact CE1-CG 4.42Å; F448-L456 HydrophobicContact CZ-CD2 4.02Å; F448-F488 AromaticContact CD1-CE2 3.99Å; F448-F488 HydrophobicContact CD1-CE2 3.99Å; F448-F488 HydrophobicContact CD2-CE2 4.1Å; F448-F488 HydrophobicContact CD2-CZ 4.42Å; F448-F488 HydrophobicContact CE1-CE2 4.16Å; F448-F488 HydrophobicContact CE2-CE2 4.28Å; F448-F488 HydrophobicContact CE2-CZ 4.35Å; F448-F488 AromaticContact CG-CE2 3.96Å; F448-F488 HydrophobicContact CG-CE2 3.96Å; F448-F488 HydrophobicContact CZ-CE2 4.3Å; F448-F489 HydrophobicContact CE1-CD1 4.34Å; F448-F489 AromaticContact CE1-CE1 3.89Å; F448-F489 HydrophobicContact CE1-CE1 3.89Å; F448-F489 HydrophobicContact CZ-CE1 4.13Å; F448-L493 HydrophobicContact CD1-CD2 4.32Å; F448-L493 HydrophobicContact CE1-CD2 4.03Å; F448-F581 HydrophobicContact CE1-CZ 4.49Å; F448-F581 AromaticContact CZ-CE2 3.79Å; F448-F581 HydrophobicContact CZ-CE2 3.79Å; F448-F581 HydrophobicContact CZ-CZ 4.07Å
449	E	92.1	Very high	92.1	Very high	49 Å²	49	46.8 Å²	46.8	23%	0.229	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	143.3	176.8	59.6	-180	-159.5	0	0	110.6	K454 N455 T457 L512 R573	E449-K454 CarbonylContact O-C 3.14Å; E449-K454 WeakPolarHBondContact O-CA 3.3Å; E449-K454 WeakPolarHBondContact O-CB 3.36Å; E449-N455 PolarHBondContact N-O 3.42Å; E449-N455 PolarHBondContact O-N 2.96Å; E449-T457 HydrophobicContact CB-CG2 3.39Å; E449-T457 HydrophobicContact CG-CG2 3.6Å; E449-L512 HydrophobicContact CB-CD1 3.36Å; E449-L512 HydrophobicContact CG-CD1 3.5Å; E449-R573 IonicContact OE1-NH2 3.73Å; E449-R573 PolarHBondContact OE1-NH2 2.9Å; E449-R573 VanDerWaalsContact OE1-NH2 3.14Å
450	G	88.2	Confident	92.2	Very high	24 Å²	24	50.3 Å²	50.3	25%	0.247	29%	0.292	C	S	.	.			trans	135.5	164.2	-177.5	0	0	0	0	0	111.3	K454 L512	G450-K454 WeakPolarHBondContact O-CE 3.35Å; G450-L512 VanDerWaalsContact N-CD1 3.28Å
451	S	82.2	Confident	92.4	Very high	100 Å²	100	51.6 Å²	51.6	70%	0.699	30%	0.298	S	S	*	.	S	Bend	trans	-82.2	-87.4	179	55.9	0	0	0	0	110.5	K454	S451-K454 WeakPolarHBondContact O-CE 3.35Å
452	L	81.8	Confident	92.7	Very high	129 Å²	129	47.4 Å²	47.4	68%	0.675	28%	0.282	S	S	*	.	S	Bend	trans	-87.7	-34.2	-179.6	-63.2	174.9	0	0	0	112.7
453	S	90.7	Very high	92.6	Very high	63 Å²	63	49.8 Å²	49.8	44%	0.441	29%	0.294	S	S	.	.	S	Bend	trans	-121.1	130.1	178.8	-66.8	0	0	0	0	108.3	F488	S453-F488 CarbonylContact C-O 3.54Å; S453-F488 WeakPolarHBondContact CA-O 3.41Å
454	K	94.5	Very high	92.7	Very high	29 Å²	29	55.5 Å²	55.5	13%	0.126	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-121.1	136.2	-166.9	-52.2	-166.7	175.9	-154.3	0	113.5	E443 F448 E449 G450 S451 F488 S490	E443-K454 WeakPolarHBondContact O-CE 3.41Å; E443-K454 PolarHBondContact O-NZ 2.96Å; F448-K454 HydrophobicContact CB-CB 3.98Å; F448-K454 HydrophobicContact CB-CD 3.99Å; E449-K454 CarbonylContact O-C 3.14Å; E449-K454 WeakPolarHBondContact O-CA 3.3Å; E449-K454 WeakPolarHBondContact O-CB 3.36Å; G450-K454 WeakPolarHBondContact O-CE 3.35Å; S451-K454 WeakPolarHBondContact O-CE 3.35Å; K454-F488 HydrophobicContact CB-CD2 4.1Å; K454-F488 HydrophobicContact CD-CD2 4.13Å; K454-F488 HydrophobicContact CG-CD2 4.19Å; K454-F488 PolarHBondContact N-O 3.34Å; K454-S490 PolarHBondContact O-N 2.68Å; K454-S490 PolarHBondContact O-OG 3.36Å
455	N	95.4	Very high	92.8	Very high	14 Å²	14	55.2 Å²	55.2	8%	0.075	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	168.2	167.6	-78.1	-55.8	0	0	0	110.1	F448 E449 S490 L493 D510	F448-N455 CarbonylContact C-O 3.46Å; F448-N455 WeakPolarHBondContact CA-O 3.16Å; E449-N455 PolarHBondContact N-O 3.42Å; E449-N455 PolarHBondContact O-N 2.96Å; N455-S490 VanDerWaalsContact CG-OG 3.22Å; N455-S490 PolarHBondContact OD1-OG 3.44Å; N455-L493 PolarHBondContact OD1-N 3.03Å; N455-D510 PolarHBondContact ND2-OD1 2.95Å
456	L	96.7	Very high	92.8	Very high	4 Å²	4	57.5 Å²	57.5	2%	0.021	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	143.3	170	-70.7	171.8	0	0	0	110.4	F448 Y468 L493 L578 F581	F448-L456 HydrophobicContact CD1-CD2 3.88Å; F448-L456 HydrophobicContact CE1-CD2 3.51Å; F448-L456 HydrophobicContact CE1-CG 4.42Å; F448-L456 HydrophobicContact CZ-CD2 4.02Å; L456-Y468 HydrophobicContact CD2-CD1 4Å; L456-Y468 HydrophobicContact CD2-CE1 4.13Å; L456-L493 HydrophobicContact CD1-CD1 3.85Å; L456-L493 HydrophobicContact CG-CD1 3.83Å; L456-L493 HydrophobicContact CG-CD2 4.28Å; L456-L578 HydrophobicContact CD1-CB 4.08Å; L456-L578 HydrophobicContact CD1-CD1 4Å; L456-F581 HydrophobicContact CD1-CB 4.09Å; L456-F581 HydrophobicContact CD1-CD1 4.48Å; L456-F581 HydrophobicContact CD1-CG 4.35Å; L456-F581 HydrophobicContact CD2-CD2 4.39Å; L456-F581 HydrophobicContact CD2-CG 4.38Å
457	T	95.5	Very high	92.9	Very high	16 Å²	16	54.7 Å²	54.7	10%	0.098	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-86.6	161.1	170	53.7	0	0	0	0	111.2	S446 L447 E449 Y468	S446-T457 PolarHBondContact O-OG1 3.47Å; L447-T457 WeakPolarHBondContact CA-OG1 3.47Å; L447-T457 PolarHBondContact O-N 3.34Å; L447-T457 PolarHBondContact O-OG1 3.05Å; L447-T457 VanDerWaalsContact O-OG1 3.09Å; E449-T457 HydrophobicContact CB-CG2 3.39Å; E449-T457 HydrophobicContact CG-CG2 3.6Å; T457-Y468 PolarHBondContact O-OH 3.04Å; T457-Y468 PolarHBondContact OG1-OH 3.18Å
458	L	94.8	Very high	93	Very high	89 Å²	89	54.6 Å²	54.6	47%	0.466	30%	0.299	S	S	.	.			trans	-95.3	93.1	161.3	-178.5	62.8	0	0	0	109.8	L463 R573 V574 P577	L458-L463 HydrophobicContact CD1-CD1 3.92Å; L458-R573 HydrophobicContact CB-CG 4.41Å; L458-R573 HydrophobicContact CD2-CG 3.77Å; L458-V574 HydrophobicContact CB-CG1 4.12Å; L458-P577 HydrophobicContact CD1-CG 3.8Å
459	N	95.4	Very high	93.1	Very high	43 Å²	43	57.2 Å²	57.2	23%	0.23	31%	0.309	C	S	.	.			trans	-109.9	112.4	174.8	-177.4	-31.9	0	0	0	110.5	Q461 A462 L463 Y468	N459-Q461 VanDerWaalsContact C-N 3.34Å; N459-Q461 PolarHBondContact O-N 3.01Å; N459-Q461 PolarHBondContact OD1-N 3.28Å; N459-A462 HydrophobicContact CB-CB 3.78Å; N459-A462 PolarHBondContact O-N 2.73Å; N459-A462 PolarHBondContact OD1-N 3.29Å; N459-L463 PolarHBondContact O-N 3.01Å; N459-Y468 WeakPolarHBondContact CB-OH 3.34Å; N459-Y468 PolarHBondContact N-OH 3.09Å
460	S	93.8	Very high	93.3	Very high	82 Å²	82	55.2 Å²	55.2	57%	0.573	30%	0.3	S	S	*	.	H	α-helix	trans	-66.2	-33.2	-175.8	62.8	0	0	0	0	113.4	K464	S460-K464 WeakPolarHBondContact O-CG 3.41Å; S460-K464 PolarHBondContact O-N 2.75Å
461	Q	94.9	Very high	93.7	Very high	93 Å²	93	54.1 Å²	54.1	44%	0.435	29%	0.288	S	S	.	.	H	α-helix	trans	-72.1	-43.2	176.4	-172.4	61.3	22	0	0	110.7	N459 L463 K464 E465	N459-Q461 VanDerWaalsContact C-N 3.34Å; N459-Q461 PolarHBondContact O-N 3.01Å; N459-Q461 PolarHBondContact OD1-N 3.28Å; Q461-L463 VanDerWaalsContact C-N 3.27Å; Q461-L463 PolarHBondContact O-N 2.95Å; Q461-K464 WeakPolarHBondContact O-CB 3.42Å; Q461-K464 PolarHBondContact O-N 3.43Å; Q461-K464 VanDerWaalsContact O-N 3.13Å; Q461-E465 PolarHBondContact NE2-OE1 3.11Å; Q461-E465 PolarHBondContact O-N 2.85Å
462	A	95.2	Very high	94.5	Very high	2 Å²	2	49.3 Å²	49.3	2%	0.017	26%	0.255	C	S	.	.	H	α-helix	trans	-61.1	-34.9	176.1	0	0	0	0	0	112.9	L447 N459 N466 L467 Y468	L447-A462 HydrophobicContact CD2-CB 3.43Å; L447-A462 VanDerWaalsContact CD2-CB 3.43Å; N459-A462 HydrophobicContact CB-CB 3.78Å; N459-A462 PolarHBondContact O-N 2.73Å; N459-A462 PolarHBondContact OD1-N 3.29Å; A462-N466 PolarHBondContact O-N 3.19Å; A462-N466 VanDerWaalsContact O-N 3.11Å; A462-L467 HydrophobicContact CB-CB 4.11Å; A462-L467 HydrophobicContact CB-CD1 4Å; A462-L467 HydrophobicContact CB-CG 4.35Å; A462-L467 PolarHBondContact O-N 3.49Å; A462-Y468 HydrophobicContact CB-CD2 4.29Å; A462-Y468 HydrophobicContact CB-CE2 3.64Å
463	L	93.1	Very high	95.2	Very high	49 Å²	49	43.8 Å²	43.8	26%	0.257	23%	0.225	S	C	.	.	H	α-helix	trans	-63.7	-46.7	172.2	-80.4	172.1	0	0	0	112.1	L458 N459 Q461 E465 N466 Y468 I576 P577	L458-L463 HydrophobicContact CD1-CD1 3.92Å; N459-L463 PolarHBondContact O-N 3.01Å; Q461-L463 VanDerWaalsContact C-N 3.27Å; Q461-L463 PolarHBondContact O-N 2.95Å; L463-E465 VanDerWaalsContact C-N 3.26Å; L463-E465 PolarHBondContact O-N 3.46Å; L463-N466 PolarHBondContact O-N 3.35Å; L463-N466 VanDerWaalsContact O-N 3.1Å; L463-Y468 HydrophobicContact CD2-CD2 3.81Å; L463-Y468 HydrophobicContact CD2-CE2 4.04Å; L463-Y468 HydrophobicContact CG-CD2 4.12Å; L463-Y468 HydrophobicContact CG-CE2 3.87Å; L463-I576 HydrophobicContact CD1-CG2 4.42Å; L463-I576 HydrophobicContact CD2-CB 4.48Å; L463-I576 HydrophobicContact CD2-CG2 3.74Å; L463-P577 HydrophobicContact CD1-CG 4.27Å; L463-P577 HydrophobicContact CD2-CG 4.09Å; L463-P577 HydrophobicContact CG-CG 4.35Å
464	K	93.5	Very high	95.5	Very high	165 Å²	165	40.8 Å²	40.8	72%	0.717	20%	0.204	S	C	*	.	H	α-helix	trans	-60.9	-37.4	178.5	-72.1	172.4	-177.2	176	0	112.2	S460 Q461 N466	S460-K464 WeakPolarHBondContact O-CG 3.41Å; S460-K464 PolarHBondContact O-N 2.75Å; Q461-K464 WeakPolarHBondContact O-CB 3.42Å; Q461-K464 PolarHBondContact O-N 3.43Å; Q461-K464 VanDerWaalsContact O-N 3.13Å; K464-N466 VanDerWaalsContact C-N 3.29Å
465	E	92.7	Very high	95.7	Very high	96 Å²	96	39.4 Å²	39.4	45%	0.449	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	3.2	179.1	-69.3	177.4	-164.2	0	0	113.4	Q461 L463 L467	Q461-E465 PolarHBondContact NE2-OE1 3.11Å; Q461-E465 PolarHBondContact O-N 2.85Å; L463-E465 VanDerWaalsContact C-N 3.26Å; L463-E465 PolarHBondContact O-N 3.46Å; E465-L467 HydrophobicContact CB-CD1 4.33Å; E465-L467 HydrophobicContact CB-CD2 3.98Å; E465-L467 HydrophobicContact CB-CG 3.77Å; E465-L467 PolarHBondContact O-N 3.07Å
466	N	93.5	Very high	95.8	Very high	71 Å²	71	38.8 Å²	38.8	38%	0.38	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	31.4	-179.4	-162	37.5	0	0	0	114	A462 L463 K464 Y468 Y469 E470 S580	A462-N466 PolarHBondContact O-N 3.19Å; A462-N466 VanDerWaalsContact O-N 3.11Å; L463-N466 PolarHBondContact O-N 3.35Å; L463-N466 VanDerWaalsContact O-N 3.1Å; K464-N466 VanDerWaalsContact C-N 3.29Å; N466-Y468 VanDerWaalsContact C-N 3.32Å; N466-Y468 PolarHBondContact O-N 3.41Å; N466-Y469 WeakPolarHBondContact ND2-CD1 3.43Å; N466-Y469 PolarHBondContact O-N 3.29Å; N466-Y469 VanDerWaalsContact OD1-CB 3.26Å; N466-Y469 WeakPolarHBondContact OD1-CB 3.41Å; N466-E470 PolarHBondContact O-N 3.25Å; N466-S580 PolarHBondContact OD1-OG 3.31Å
467	L	96.1	Very high	95.8	Very high	19 Å²	19	38.6 Å²	38.6	10%	0.099	19%	0.194	C	C	.	.	H	α-helix	trans	-69.7	-27	-174.1	-59.7	-175.4	0	0	0	113.2	L398 L447 A462 E465 E470 A471	L398-L467 HydrophobicContact CD1-CD2 3.8Å; L398-L467 HydrophobicContact CD2-CD2 4.13Å; L447-L467 HydrophobicContact CD1-CB 4.2Å; L447-L467 HydrophobicContact CD2-CB 3.87Å; L447-L467 HydrophobicContact CD2-CD1 4.45Å; A462-L467 HydrophobicContact CB-CB 4.11Å; A462-L467 HydrophobicContact CB-CD1 4Å; A462-L467 HydrophobicContact CB-CG 4.35Å; A462-L467 PolarHBondContact O-N 3.49Å; E465-L467 HydrophobicContact CB-CD1 4.33Å; E465-L467 HydrophobicContact CB-CD2 3.98Å; E465-L467 HydrophobicContact CB-CG 3.77Å; E465-L467 PolarHBondContact O-N 3.07Å; L467-E470 PolarHBondContact O-N 3.42Å; L467-A471 WeakPolarHBondContact O-CB 3.32Å; L467-A471 PolarHBondContact O-N 3.18Å
468	Y	97.9	Very high	95.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-66	-44.3	176	-67	-76.2	0	0	0	111.7	L447 L456 T457 N459 A462 L463 N466 E470 A471 G472 P577 F581	L447-Y468 HydrophobicContact CB-CD1 4.45Å; L447-Y468 HydrophobicContact CB-CE1 4.05Å; L447-Y468 HydrophobicContact CD2-CD1 4.3Å; L447-Y468 HydrophobicContact CD2-CE1 3.97Å; L447-Y468 HydrophobicContact CD2-CE2 4.37Å; L456-Y468 HydrophobicContact CD2-CD1 4Å; L456-Y468 HydrophobicContact CD2-CE1 4.13Å; T457-Y468 PolarHBondContact O-OH 3.04Å; T457-Y468 PolarHBondContact OG1-OH 3.18Å; N459-Y468 WeakPolarHBondContact CB-OH 3.34Å; N459-Y468 PolarHBondContact N-OH 3.09Å; A462-Y468 HydrophobicContact CB-CD2 4.29Å; A462-Y468 HydrophobicContact CB-CE2 3.64Å; L463-Y468 HydrophobicContact CD2-CD2 3.81Å; L463-Y468 HydrophobicContact CD2-CE2 4.04Å; L463-Y468 HydrophobicContact CG-CD2 4.12Å; L463-Y468 HydrophobicContact CG-CE2 3.87Å; N466-Y468 VanDerWaalsContact C-N 3.32Å; N466-Y468 PolarHBondContact O-N 3.41Å; Y468-E470 VanDerWaalsContact C-N 3.34Å; Y468-E470 PolarHBondContact O-N 2.9Å; Y468-A471 PolarHBondContact O-N 2.91Å; Y468-G472 PolarHBondContact O-N 3.32Å; Y468-P577 HydrophobicContact CD1-CB 3.89Å; Y468-P577 HydrophobicContact CD2-CB 4.06Å; Y468-P577 HydrophobicContact CE1-CB 3.78Å; Y468-P577 HydrophobicContact CE2-CB 3.96Å; Y468-P577 HydrophobicContact CE2-CG 4.11Å; Y468-P577 HydrophobicContact CG-CB 4.02Å; Y468-F581 WeakPolarHBondContact O-CA 3.37Å; Y468-F581 VanDerWaalsContact O-CD2 3.31Å; Y468-F581 WeakPolarHBondContact O-CD2 3.26Å
469	Y	97.5	Very high	95.9	Very high	65 Å²	65	33.6 Å²	33.6	26%	0.255	17%	0.167	S	C	.	.	H	α-helix	trans	-59	-46	172	171.8	-95.5	0	0	0	111.6	N466 A471 G472 K473 S580 Q583 G584	N466-Y469 WeakPolarHBondContact ND2-CD1 3.43Å; N466-Y469 PolarHBondContact O-N 3.29Å; N466-Y469 VanDerWaalsContact OD1-CB 3.26Å; N466-Y469 WeakPolarHBondContact OD1-CB 3.41Å; Y469-A471 PolarHBondContact O-N 3.15Å; Y469-G472 PolarHBondContact O-N 3.07Å; Y469-K473 HydrophobicContact CE1-CD 4.19Å; Y469-K473 WeakPolarHBondContact O-CB 3.31Å; Y469-K473 PolarHBondContact O-N 3.4Å; Y469-S580 VanDerWaalsContact CA-O 3.3Å; Y469-S580 WeakPolarHBondContact CA-O 3.43Å; Y469-S580 WeakPolarHBondContact CB-OG 3.38Å; Y469-S580 PolarHBondContact N-OG 3.26Å; Y469-Q583 HydrophobicContact CD2-CB 4.13Å; Y469-Q583 HydrophobicContact CD2-CG 4.06Å; Y469-Q583 HydrophobicContact CE2-CG 4.03Å; Y469-G584 VanDerWaalsContact O-CA 3.26Å; Y469-G584 WeakPolarHBondContact O-CA 3.37Å
470	E	96.3	Very high	96	Very high	7 Å²	7	32 Å²	32	3%	0.033	16%	0.159	C	C	.	.	H	α-helix	trans	-62.8	-42.3	178.4	-67.9	-61	133.4	0	0	111.8	L398 Q402 N466 L467 Y468 G472 K473 M474	L398-E470 HydrophobicContact CD2-CB 3.69Å; L398-E470 HydrophobicContact CD2-CG 3.91Å; Q402-E470 HydrophobicContact CG-CG 4.27Å; N466-E470 PolarHBondContact O-N 3.25Å; L467-E470 PolarHBondContact O-N 3.42Å; Y468-E470 VanDerWaalsContact C-N 3.34Å; Y468-E470 PolarHBondContact O-N 2.9Å; E470-G472 PolarHBondContact O-N 2.77Å; E470-K473 WeakPolarHBondContact O-CB 3.39Å; E470-K473 PolarHBondContact O-N 3.48Å; E470-K473 IonicContact OE1-NZ 3.52Å; E470-K473 PolarHBondContact OE1-NZ 2.91Å; E470-K473 WeakPolarHBondContact OE2-CE 3.48Å; E470-K473 IonicContact OE2-NZ 2.71Å; E470-K473 PolarHBondContact OE2-NZ 3.39Å; E470-M474 HydrophobicContact CB-CE 4.45Å; E470-M474 WeakPolarHBondContact O-CB 3.44Å; E470-M474 WeakPolarHBondContact O-CG 3.39Å; E470-M474 PolarHBondContact O-N 3.07Å
471	A	97.3	Very high	96	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-60.5	-46	174.9	0	0	0	0	0	112.1	L442 L447 L467 Y468 Y469 K473 M474 V475 F581	L442-A471 HydrophobicContact CD2-CB 3.67Å; L447-A471 HydrophobicContact CD1-CB 3.69Å; L467-A471 WeakPolarHBondContact O-CB 3.32Å; L467-A471 PolarHBondContact O-N 3.18Å; Y468-A471 PolarHBondContact O-N 2.91Å; Y469-A471 PolarHBondContact O-N 3.15Å; A471-K473 VanDerWaalsContact C-N 3.32Å; A471-K473 PolarHBondContact O-N 3.13Å; A471-M474 PolarHBondContact O-N 3.08Å; A471-V475 WeakPolarHBondContact O-CG2 3.4Å; A471-V475 PolarHBondContact O-N 2.9Å; A471-F581 HydrophobicContact CB-CD2 4.09Å; A471-F581 HydrophobicContact CB-CE2 3.93Å
472	G	98	Very high	95.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.1	-41.9	175.6	0	0	0	0	0	112	Y468 Y469 E470 V475 A476 F581 L585	Y468-G472 PolarHBondContact O-N 3.32Å; Y469-G472 PolarHBondContact O-N 3.07Å; E470-G472 PolarHBondContact O-N 2.77Å; G472-V475 PolarHBondContact O-N 3.4Å; G472-A476 PolarHBondContact O-N 3.5Å; G472-F581 VanDerWaalsContact CA-CE2 3.47Å; G472-F581 VanDerWaalsContact N-CE2 3.32Å; G472-L585 WeakPolarHBondContact O-CD2 3.43Å
473	K	97.4	Very high	95.7	Very high	12 Å²	12	24.9 Å²	24.9	5%	0.052	12%	0.12	C	C	.	.	H	α-helix	trans	-62.8	-41.8	176	-175.7	175.6	73.5	-170.9	0	111.9	F401 Y469 E470 A471 A476 I477 G584 T587	F401-K473 PolarHBondContact O-NZ 3.4Å; Y469-K473 HydrophobicContact CE1-CD 4.19Å; Y469-K473 WeakPolarHBondContact O-CB 3.31Å; Y469-K473 PolarHBondContact O-N 3.4Å; E470-K473 WeakPolarHBondContact O-CB 3.39Å; E470-K473 PolarHBondContact O-N 3.48Å; E470-K473 IonicContact OE1-NZ 3.52Å; E470-K473 PolarHBondContact OE1-NZ 2.91Å; E470-K473 WeakPolarHBondContact OE2-CE 3.48Å; E470-K473 IonicContact OE2-NZ 2.71Å; E470-K473 PolarHBondContact OE2-NZ 3.39Å; A471-K473 VanDerWaalsContact C-N 3.32Å; A471-K473 PolarHBondContact O-N 3.13Å; K473-A476 PolarHBondContact O-N 2.99Å; K473-I477 HydrophobicContact CG-CD1 3.84Å; K473-I477 WeakPolarHBondContact O-CB 3.45Å; K473-I477 VanDerWaalsContact O-CG1 3.26Å; K473-I477 WeakPolarHBondContact O-CG1 3.34Å; K473-I477 PolarHBondContact O-N 3.38Å; K473-G584 WeakPolarHBondContact CA-O 3.14Å; K473-G584 PolarHBondContact N-O 3.23Å; K473-T587 HydrophobicContact CG-CG2 4.04Å
474	M	96.7	Very high	95.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-64.1	-43.8	177.6	-72.1	166.2	176.1	0	0	112.2	W394 T397 L398 F401 L438 L442 E470 A471 A476 I477 S478	W394-M474 HydrophobicContact CE3-CE 4.48Å; W394-M474 HydrophobicContact CE3-SD 4.5Å; W394-M474 HydrophobicContact CH2-CE 4.01Å; W394-M474 HydrophobicContact CH2-SD 3.69Å; W394-M474 HydrophobicContact CZ3-CE 3.89Å; W394-M474 HydrophobicContact CZ3-SD 3.49Å; W394-M474 WeakPolarHBondContact CZ3-SD 3.5Å; T397-M474 HydrophobicContact CG2-CE 3.97Å; L398-M474 HydrophobicContact CD2-CE 3.5Å; L398-M474 HydrophobicContact CG-CE 4.04Å; F401-M474 HydrophobicContact CD2-CE 4.27Å; F401-M474 HydrophobicContact CD2-CG 3.82Å; F401-M474 HydrophobicContact CE2-CG 3.72Å; L438-M474 HydrophobicContact CD1-CE 4.27Å; L438-M474 HydrophobicContact CD1-CG 4.22Å; L438-M474 HydrophobicContact CD1-SD 3.75Å; L438-M474 HydrophobicContact CD2-CB 3.77Å; L438-M474 HydrophobicContact CD2-CG 3.87Å; L438-M474 HydrophobicContact CD2-SD 4.5Å; L438-M474 HydrophobicContact CG-CB 4.17Å; L438-M474 HydrophobicContact CG-CG 4.31Å; L438-M474 HydrophobicContact CG-SD 4.35Å; L442-M474 HydrophobicContact CD1-CB 4.19Å; L442-M474 HydrophobicContact CD2-SD 4.33Å; E470-M474 HydrophobicContact CB-CE 4.45Å; E470-M474 WeakPolarHBondContact O-CB 3.44Å; E470-M474 WeakPolarHBondContact O-CG 3.39Å; E470-M474 PolarHBondContact O-N 3.07Å; A471-M474 PolarHBondContact O-N 3.08Å; M474-A476 VanDerWaalsContact C-N 3.35Å; M474-I477 PolarHBondContact O-N 3.1Å; M474-S478 PolarHBondContact O-N 3.13Å
475	V	97.9	Very high	95.5	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.006	8%	0.08	C	C	.	.	H	α-helix	trans	-60	-47.1	174.7	172.9	0	0	0	0	110.5	M439 L442 A471 G472 I477 S478 L479 P486 F489 F581 L585	M439-V475 HydrophobicContact CE-CG2 4.43Å; M439-V475 HydrophobicContact SD-CG2 4.35Å; L442-V475 HydrophobicContact CD1-CG2 3.71Å; A471-V475 WeakPolarHBondContact O-CG2 3.4Å; A471-V475 PolarHBondContact O-N 2.9Å; G472-V475 PolarHBondContact O-N 3.4Å; V475-I477 PolarHBondContact O-N 2.86Å; V475-S478 PolarHBondContact O-N 3.43Å; V475-L479 HydrophobicContact CG1-CD1 4.09Å; V475-L479 WeakPolarHBondContact O-CG 3.12Å; V475-L479 PolarHBondContact O-N 3.37Å; V475-L479 VanDerWaalsContact O-N 3.08Å; V475-P486 HydrophobicContact CB-CG 4.41Å; V475-P486 HydrophobicContact CG1-CG 3.69Å; V475-P486 HydrophobicContact CG2-CG 3.85Å; V475-F489 HydrophobicContact CG2-CZ 4.45Å; V475-F581 HydrophobicContact CG2-CZ 4.43Å; V475-L585 HydrophobicContact CB-CD2 3.95Å; V475-L585 HydrophobicContact CG1-CD2 3.79Å
476	A	98	Very high	95.5	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-62.3	-43.8	178.8	0	0	0	0	0	112.8	G472 K473 M474 L479 V480 T587 V590	G472-A476 PolarHBondContact O-N 3.5Å; K473-A476 PolarHBondContact O-N 2.99Å; M474-A476 VanDerWaalsContact C-N 3.35Å; A476-L479 PolarHBondContact O-N 3.06Å; A476-V480 WeakPolarHBondContact O-CG2 3.39Å; A476-V480 PolarHBondContact O-N 2.95Å; A476-V480 VanDerWaalsContact O-N 3.11Å; A476-T587 HydrophobicContact CB-CG2 4.44Å; A476-T587 WeakPolarHBondContact CB-O 3.29Å; A476-V590 HydrophobicContact CB-CB 3.96Å; A476-V590 HydrophobicContact CB-CG1 4.47Å; A476-V590 HydrophobicContact CB-CG2 3.8Å
477	I	96.8	Very high	95.5	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-60.9	-46	175.5	-73	165.9	0	0	0	110.6	F401 F406 P408 I412 L435 K473 M474 V475 L479 V480 H481 T587 L588	F401-I477 HydrophobicContact CD2-CD1 4.01Å; F401-I477 HydrophobicContact CE2-CD1 3.5Å; F401-I477 HydrophobicContact CZ-CD1 3.93Å; F401-I477 HydrophobicContact CZ-CG2 4.26Å; F406-I477 HydrophobicContact CE1-CD1 3.79Å; F406-I477 HydrophobicContact CZ-CD1 3.84Å; P408-I477 HydrophobicContact CB-CD1 4.14Å; P408-I477 HydrophobicContact CB-CG1 4.08Å; I412-I477 HydrophobicContact CD1-CG2 3.65Å; L435-I477 HydrophobicContact CD2-CG2 4.25Å; K473-I477 HydrophobicContact CG-CD1 3.84Å; K473-I477 WeakPolarHBondContact O-CB 3.45Å; K473-I477 VanDerWaalsContact O-CG1 3.26Å; K473-I477 WeakPolarHBondContact O-CG1 3.34Å; K473-I477 PolarHBondContact O-N 3.38Å; M474-I477 PolarHBondContact O-N 3.1Å; V475-I477 PolarHBondContact O-N 2.86Å; I477-L479 PolarHBondContact O-N 3.43Å; I477-V480 PolarHBondContact O-N 3.34Å; I477-H481 VanDerWaalsContact O-CB 3.25Å; I477-H481 WeakPolarHBondContact O-CB 3.3Å; I477-H481 PolarHBondContact O-CD2 3.22Å; I477-H481 VanDerWaalsContact O-CD2 3.28Å; I477-H481 PolarHBondContact O-N 3.24Å; I477-T587 HydrophobicContact CG1-CG2 4.26Å; I477-L588 HydrophobicContact CG1-CD1 4.36Å
478	S	96.1	Very high	95.4	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-56.5	-51.4	178.6	-169.5	0	0	0	0	111.3	M474 V475 V480 G482 G483 T484	M474-S478 PolarHBondContact O-N 3.13Å; V475-S478 PolarHBondContact O-N 3.43Å; S478-V480 PolarHBondContact O-N 3.23Å; S478-G482 PolarHBondContact O-N 2.91Å; S478-G483 WeakPolarHBondContact O-CA 3.48Å; S478-G483 PolarHBondContact O-N 2.83Å; S478-T484 PolarHBondContact OG-O 3.25Å
479	L	96.4	Very high	95.4	Very high	1 Å²	1	7.3 Å²	7.3	1%	0.005	4%	0.04	C	C	.	.	H	α-helix	trans	-60.4	-44.3	-178	-68.2	174	0	0	0	113	L372 V475 A476 I477 V590 F601 I604 L605	L372-L479 HydrophobicContact CD1-CD2 4.46Å; L372-L479 HydrophobicContact CD2-CB 3.92Å; V475-L479 HydrophobicContact CG1-CD1 4.09Å; V475-L479 WeakPolarHBondContact O-CG 3.12Å; V475-L479 PolarHBondContact O-N 3.37Å; V475-L479 VanDerWaalsContact O-N 3.08Å; A476-L479 PolarHBondContact O-N 3.06Å; I477-L479 PolarHBondContact O-N 3.43Å; L479-V590 HydrophobicContact CD1-CG1 3.92Å; L479-F601 HydrophobicContact CD1-CE1 4.45Å; L479-I604 HydrophobicContact CD2-CD1 3.8Å; L479-L605 HydrophobicContact CD1-CD2 4.27Å
480	V	96.3	Very high	95.3	Very high	9 Å²	9	4.4 Å²	4.4	6%	0.055	3%	0.029	C	C	.	.	H	α-helix	trans	-81.1	-31.1	-174.7	179.7	0	0	0	0	112.6	L375 I379 A476 I477 S478 G482 L588 V590	L375-V480 HydrophobicContact CB-CG1 4.07Å; L375-V480 HydrophobicContact CB-CG2 3.82Å; L375-V480 HydrophobicContact CD1-CG2 3.91Å; L375-V480 WeakPolarHBondContact O-CG1 3.31Å; I379-V480 HydrophobicContact CD1-CG1 4.06Å; I379-V480 HydrophobicContact CG1-CG1 4.26Å; A476-V480 WeakPolarHBondContact O-CG2 3.39Å; A476-V480 PolarHBondContact O-N 2.95Å; A476-V480 VanDerWaalsContact O-N 3.11Å; I477-V480 PolarHBondContact O-N 3.34Å; S478-V480 PolarHBondContact O-N 3.23Å; V480-G482 PolarHBondContact O-N 3.49Å; V480-L588 HydrophobicContact CB-CB 4.34Å; V480-L588 HydrophobicContact CB-CD1 3.76Å; V480-L588 HydrophobicContact CG1-CB 4.33Å; V480-L588 HydrophobicContact CG1-CD1 3.85Å; V480-L588 HydrophobicContact CG2-CB 3.91Å; V480-L588 HydrophobicContact CG2-CD1 4.2Å; V480-V590 HydrophobicContact CG2-CG2 3.51Å
481	H	94	Very high	95.2	Very high	11 Å²	11	9.5 Å²	9.5	5%	0.051	5%	0.053	C	C	.	.	H	α-helix	trans	-81.4	1.6	176.9	-78.3	-92	0	0	0	114	I379 P408 Y410 K431 L435 I477	I379-H481 WeakPolarHBondContact CD1-NE2 3.45Å; P408-H481 PolarHBondContact O-NE2 3.04Å; Y410-H481 PolarHBondContact O-CE1 3.09Å; Y410-H481 VanDerWaalsContact O-CE1 3.22Å; K431-H481 PolarHBondContact NZ-O 3.36Å; L435-H481 HydrophobicContact CD1-CB 3.87Å; I477-H481 VanDerWaalsContact O-CB 3.25Å; I477-H481 WeakPolarHBondContact O-CB 3.3Å; I477-H481 PolarHBondContact O-CD2 3.22Å; I477-H481 VanDerWaalsContact O-CD2 3.28Å; I477-H481 PolarHBondContact O-N 3.24Å
482	G	91.3	Very high	95.1	Very high	15 Å²	15	9.9 Å²	9.9	16%	0.155	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.1	27.7	177.8	0	0	0	0	0	114.1	S478 V480 P665	S478-G482 PolarHBondContact O-N 2.91Å; V480-G482 PolarHBondContact O-N 3.49Å; G482-P665 WeakPolarHBondContact O-CB 3.26Å
483	G	92.1	Very high	95.1	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.01	6%	0.056	C	C	.	.			trans	-84.4	180	170.1	0	0	0	0	0	112.8	S478	S478-G483 WeakPolarHBondContact O-CA 3.48Å; S478-G483 PolarHBondContact O-N 2.83Å
484	T	90.9	Very high	95.1	Very high	6 Å²	6	9.6 Å²	9.6	4%	0.037	5%	0.054	C	C	.	.			trans	-72.2	156.8	176.8	53.8	0	0	0	0	111.5	S436 M439 S478 C661	S436-T484 WeakPolarHBondContact CA-OG1 3.29Å; M439-T484 WeakPolarHBondContact CG-O 3.34Å; S478-T484 PolarHBondContact OG-O 3.25Å; T484-C661 HydrophobicContact CG2-CB 4.1Å
485	S	92.2	Very high	95.1	Very high	13 Å²	13	11.1 Å²	11.1	9%	0.091	6%	0.062	C	C	.	.			trans	-87.9	157.8	172.7	59.4	0	0	0	0	111.6	I604	S485-I604 WeakPolarHBondContact CB-O 3.22Å; S485-I604 PolarHBondContact OG-O 2.95Å
486	P	92.4	Very high	95.1	Very high	11 Å²	11	11.3 Å²	11.3	7%	0.071	6%	0.064	C	C	.	.			trans	-56.3	-50.7	176.1	-27.4	34.2	0	0	0	114	M439 V475 F488 F489 L605	M439-P486 HydrophobicContact SD-CG 3.81Å; V475-P486 HydrophobicContact CB-CG 4.41Å; V475-P486 HydrophobicContact CG1-CG 3.69Å; V475-P486 HydrophobicContact CG2-CG 3.85Å; P486-F488 HydrophobicContact CB-CD1 3.9Å; P486-F488 HydrophobicContact CB-CE1 3.59Å; P486-F488 HydrophobicContact CB-CZ 4.02Å; P486-F488 WeakPolarHBondContact O-CD1 3.44Å; P486-F488 PolarHBondContact O-N 3.13Å; P486-F488 VanDerWaalsContact O-N 3.13Å; P486-F489 HydrophobicContact CB-CD1 4.4Å; P486-F489 HydrophobicContact CB-CE1 3.94Å; P486-F489 HydrophobicContact CB-CZ 4.26Å; P486-F489 HydrophobicContact CG-CE1 4.26Å; P486-F489 HydrophobicContact CG-CZ 4.1Å; P486-L605 HydrophobicContact CG-CD2 4.16Å
487	G	93.7	Very high	95.1	Very high	2 Å²	2	11.3 Å²	11.3	2%	0.021	6%	0.064	C	C	.	.			trans	64.5	10.7	178.9	0	0	0	0	0	116.4	I604 L605 C606 R607 K608	G487-I604 WeakPolarHBondContact CA-O 3.42Å; G487-I604 PolarHBondContact N-O 3.5Å; G487-I604 VanDerWaalsContact N-O 3.15Å; G487-L605 CarbonylContact C-O 3.59Å; G487-L605 VanDerWaalsContact C-O 3.27Å; G487-L605 VanDerWaalsContact CA-O 3.3Å; G487-L605 WeakPolarHBondContact CA-O 3.49Å; G487-L605 PolarHBondContact N-O 3.37Å; G487-C606 CarbonylContact O-C 3.37Å; G487-R607 VanDerWaalsContact CA-O 3.26Å; G487-R607 WeakPolarHBondContact CA-O 3.4Å; G487-R607 CarbonylContact O-C 3.56Å; G487-K608 PolarHBondContact O-N 3.1Å
488	F	94.3	Very high	95.1	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.067	C	C	.	.			trans	-124.8	3.6	-176	64	-106.7	0	0	0	114.6	L442 E443 F448 S453 K454 P486 L605	L442-F488 HydrophobicContact CB-CZ 4.14Å; E443-F488 VanDerWaalsContact CA-CE1 3.46Å; E443-F488 HydrophobicContact CB-CD1 3.49Å; E443-F488 VanDerWaalsContact CB-CD1 3.49Å; E443-F488 HydrophobicContact CB-CE1 3.45Å; E443-F488 VanDerWaalsContact CB-CE1 3.45Å; E443-F488 HydrophobicContact CB-CG 4.2Å; E443-F488 HydrophobicContact CB-CZ 4.11Å; E443-F488 HydrophobicContact CG-CB 4.13Å; E443-F488 HydrophobicContact CG-CD1 3.51Å; E443-F488 HydrophobicContact CG-CD2 4.48Å; E443-F488 HydrophobicContact CG-CE1 4.02Å; E443-F488 HydrophobicContact CG-CG 3.8Å; F448-F488 AromaticContact CD1-CE2 3.99Å; F448-F488 HydrophobicContact CD1-CE2 3.99Å; F448-F488 HydrophobicContact CD2-CE2 4.1Å; F448-F488 HydrophobicContact CD2-CZ 4.42Å; F448-F488 HydrophobicContact CE1-CE2 4.16Å; F448-F488 HydrophobicContact CE2-CE2 4.28Å; F448-F488 HydrophobicContact CE2-CZ 4.35Å; F448-F488 AromaticContact CG-CE2 3.96Å; F448-F488 HydrophobicContact CG-CE2 3.96Å; F448-F488 HydrophobicContact CZ-CE2 4.3Å; S453-F488 CarbonylContact C-O 3.54Å; S453-F488 WeakPolarHBondContact CA-O 3.41Å; K454-F488 HydrophobicContact CB-CD2 4.1Å; K454-F488 HydrophobicContact CD-CD2 4.13Å; K454-F488 HydrophobicContact CG-CD2 4.19Å; K454-F488 PolarHBondContact N-O 3.34Å; P486-F488 HydrophobicContact CB-CD1 3.9Å; P486-F488 HydrophobicContact CB-CE1 3.59Å; P486-F488 HydrophobicContact CB-CZ 4.02Å; P486-F488 WeakPolarHBondContact O-CD1 3.44Å; P486-F488 PolarHBondContact O-N 3.13Å; P486-F488 VanDerWaalsContact O-N 3.13Å; F488-L605 PolarHBondContact N-O 2.86Å
489	F	96.8	Very high	94.9	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.086	C	C	.	.	B	Isolated β-bridge	trans	-65.9	143.3	178.1	-67	-3.2	0	0	0	110.8	F448 V475 P486 L493 L497 F581 L605 C606	F448-F489 HydrophobicContact CE1-CD1 4.34Å; F448-F489 AromaticContact CE1-CE1 3.89Å; F448-F489 HydrophobicContact CE1-CE1 3.89Å; F448-F489 HydrophobicContact CZ-CE1 4.13Å; V475-F489 HydrophobicContact CG2-CZ 4.45Å; P486-F489 HydrophobicContact CB-CD1 4.4Å; P486-F489 HydrophobicContact CB-CE1 3.94Å; P486-F489 HydrophobicContact CB-CZ 4.26Å; P486-F489 HydrophobicContact CG-CE1 4.26Å; P486-F489 HydrophobicContact CG-CZ 4.1Å; F489-L493 HydrophobicContact CB-CD2 4.24Å; F489-L493 HydrophobicContact CD1-CD2 4.01Å; F489-L493 HydrophobicContact CD2-CD2 4.32Å; F489-L493 HydrophobicContact CG-CD2 3.93Å; F489-L497 HydrophobicContact CD2-CD1 4.23Å; F489-L497 HydrophobicContact CE2-CD1 4.11Å; F489-F581 HydrophobicContact CE1-CZ 4.46Å; F489-F581 HydrophobicContact CE2-CE1 4.28Å; F489-F581 HydrophobicContact CE2-CZ 4.32Å; F489-F581 HydrophobicContact CZ-CE1 4.11Å; F489-F581 AromaticContact CZ-CZ 3.72Å; F489-F581 HydrophobicContact CZ-CZ 3.72Å; F489-L605 WeakPolarHBondContact CB-O 3.2Å; F489-L605 HydrophobicContact CD2-CB 3.84Å; F489-L605 HydrophobicContact CD2-CD1 4.21Å; F489-L605 HydrophobicContact CD2-CG 4.42Å; F489-L605 HydrophobicContact CE2-CB 4.34Å; F489-L605 HydrophobicContact CE2-CD1 4.15Å; F489-L605 HydrophobicContact CE2-CD2 4.21Å; F489-L605 HydrophobicContact CE2-CG 4.47Å; F489-L605 HydrophobicContact CG-CB 4.42Å; F489-L605 PolarHBondContact N-O 3.45Å; F489-C606 VanDerWaalsContact O-CA 3.31Å; F489-C606 WeakPolarHBondContact O-CA 3.39Å; F489-C606 WeakPolarHBondContact O-CB 3.39Å
490	S	95.4	Very high	94.8	Very high	3 Å²	3	16.9 Å²	16.9	2%	0.021	9%	0.09	C	C	.	.			trans	-70.4	158.1	167.8	68.3	0	0	0	0	111.2	K454 N455 T492 L493 F494	K454-S490 PolarHBondContact O-N 2.68Å; K454-S490 PolarHBondContact O-OG 3.36Å; N455-S490 VanDerWaalsContact CG-OG 3.22Å; N455-S490 PolarHBondContact OD1-OG 3.44Å; S490-T492 VanDerWaalsContact C-N 3.25Å; S490-T492 PolarHBondContact O-N 3.38Å; S490-L493 PolarHBondContact O-N 3.35Å; S490-L493 VanDerWaalsContact OG-CB 3.27Å; S490-L493 WeakPolarHBondContact OG-CB 3.31Å; S490-L493 PolarHBondContact OG-N 2.51Å; S490-F494 WeakPolarHBondContact O-CB 3.31Å; S490-F494 PolarHBondContact O-N 3.05Å
491	E	95.2	Very high	94.6	Very high	115 Å²	115	17.1 Å²	17.1	54%	0.537	9%	0.092	S	C	.	.	H	α-helix	trans	-58.5	-40.8	171.8	-178.2	171.7	178.8	0	0	111.1	F494 N495 Y602	E491-F494 PolarHBondContact O-N 3.37Å; E491-N495 WeakPolarHBondContact O-CB 3.46Å; E491-N495 PolarHBondContact O-N 2.86Å; E491-N495 PolarHBondContact O-ND2 3.33Å; E491-Y602 HydrophobicContact CB-CE2 4.37Å; E491-Y602 HydrophobicContact CG-CE2 4.18Å
492	T	95.6	Very high	94.4	Very high	7 Å²	7	22.9 Å²	22.9	4%	0.043	12%	0.119	C	C	.	.	H	α-helix	trans	-60.1	-50.2	176.3	-59.1	0	0	0	0	112.3	S490 F494 N495 C496 T504 P506 D510 V570 I571	S490-T492 VanDerWaalsContact C-N 3.25Å; S490-T492 PolarHBondContact O-N 3.38Å; T492-F494 VanDerWaalsContact C-N 3.33Å; T492-F494 PolarHBondContact O-N 3.34Å; T492-N495 PolarHBondContact O-N 3.35Å; T492-C496 PolarHBondContact O-N 2.95Å; T492-C496 PolarHBondContact O-SG 3.27Å; T492-C496 VanDerWaalsContact O-SG 3.33Å; T492-T504 HydrophobicContact CG2-CG2 3.98Å; T492-P506 HydrophobicContact CG2-CB 4.05Å; T492-D510 WeakPolarHBondContact CB-OD1 3.35Å; T492-D510 PolarHBondContact OG1-OD1 3.41Å; T492-D510 PolarHBondContact OG1-OD2 3.16Å; T492-D510 VanDerWaalsContact OG1-OD2 3.08Å; T492-V570 HydrophobicContact CG2-CG1 3.78Å; T492-I571 HydrophobicContact CG2-CD1 4.26Å; T492-I571 HydrophobicContact CG2-CG1 4.16Å
493	L	97.3	Very high	94.3	Very high	5 Å²	5	27.6 Å²	27.6	3%	0.026	14%	0.14	C	C	.	.	H	α-helix	trans	-61.6	-44.4	177.8	175	58.2	0	0	0	110.7	F448 N455 L456 F489 S490 N495 C496 L497 L578	F448-L493 HydrophobicContact CD1-CD2 4.32Å; F448-L493 HydrophobicContact CE1-CD2 4.03Å; N455-L493 PolarHBondContact OD1-N 3.03Å; L456-L493 HydrophobicContact CD1-CD1 3.85Å; L456-L493 HydrophobicContact CG-CD1 3.83Å; L456-L493 HydrophobicContact CG-CD2 4.28Å; F489-L493 HydrophobicContact CB-CD2 4.24Å; F489-L493 HydrophobicContact CD1-CD2 4.01Å; F489-L493 HydrophobicContact CD2-CD2 4.32Å; F489-L493 HydrophobicContact CG-CD2 3.93Å; S490-L493 PolarHBondContact O-N 3.35Å; S490-L493 VanDerWaalsContact OG-CB 3.27Å; S490-L493 WeakPolarHBondContact OG-CB 3.31Å; S490-L493 PolarHBondContact OG-N 2.51Å; L493-N495 PolarHBondContact O-N 3.29Å; L493-C496 WeakPolarHBondContact O-CB 3.49Å; L493-C496 PolarHBondContact O-N 2.86Å; L493-L497 HydrophobicContact CD1-CG 4.46Å; L493-L497 HydrophobicContact CG-CD1 4.42Å; L493-L497 WeakPolarHBondContact O-CG 3.36Å; L493-L497 PolarHBondContact O-N 2.91Å; L493-L497 VanDerWaalsContact O-N 3.13Å; L493-L578 HydrophobicContact CD1-CD1 3.96Å
494	F	97.9	Very high	94.4	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.009	14%	0.141	C	C	.	.	H	α-helix	trans	-60.8	-46.3	178.3	-179.2	-86.8	0	0	0	112.2	S490 E491 T492 C496 L497 A498 I594 P598 F601 Y602 L605 C606	S490-F494 WeakPolarHBondContact O-CB 3.31Å; S490-F494 PolarHBondContact O-N 3.05Å; E491-F494 PolarHBondContact O-N 3.37Å; T492-F494 VanDerWaalsContact C-N 3.33Å; T492-F494 PolarHBondContact O-N 3.34Å; F494-C496 VanDerWaalsContact C-N 3.31Å; F494-C496 PolarHBondContact O-N 3.39Å; F494-L497 WeakPolarHBondContact O-CB 3.26Å; F494-L497 PolarHBondContact O-N 3.14Å; F494-A498 HydrophobicContact CD1-CB 4.23Å; F494-A498 HydrophobicContact CE1-CB 3.74Å; F494-A498 HydrophobicContact CZ-CB 4.12Å; F494-A498 WeakPolarHBondContact O-CB 3.42Å; F494-A498 PolarHBondContact O-N 3.42Å; F494-I594 HydrophobicContact CE2-CG2 4.16Å; F494-I594 HydrophobicContact CZ-CG2 4.32Å; F494-P598 HydrophobicContact CE1-CB 4Å; F494-P598 HydrophobicContact CZ-CB 3.95Å; F494-P598 WeakPolarHBondContact CZ-O 3.29Å; F494-F601 HydrophobicContact CE2-CB 3.98Å; F494-F601 HydrophobicContact CZ-CB 4.3Å; F494-Y602 HydrophobicContact CB-CD2 4.4Å; F494-Y602 AromaticContact CD1-CD2 3.51Å; F494-Y602 HydrophobicContact CD1-CD2 3.51Å; F494-Y602 HydrophobicContact CD1-CE2 4.23Å; F494-Y602 HydrophobicContact CD2-CD2 4.3Å; F494-Y602 AromaticContact CE1-CD2 3.82Å; F494-Y602 HydrophobicContact CE1-CD2 3.82Å; F494-Y602 HydrophobicContact CE1-CG 4.45Å; F494-Y602 AromaticContact CG-CD2 3.78Å; F494-Y602 HydrophobicContact CG-CD2 3.78Å; F494-Y602 HydrophobicContact CG-CE2 4.4Å; F494-Y602 HydrophobicContact CZ-CD2 4.36Å; F494-L605 HydrophobicContact CD2-CB 4.25Å; F494-L605 HydrophobicContact CD2-CD1 4.12Å; F494-L605 HydrophobicContact CE2-CD1 4.03Å; F494-C606 WeakPolarHBondContact CB-SG 3.34Å
495	N	97.1	Very high	94.4	Very high	32 Å²	32	33.5 Å²	33.5	17%	0.171	17%	0.171	C	C	.	.	H	α-helix	trans	-63	-38.8	179.1	-72.2	-17.9	0	0	0	111.4	E491 T492 L493 L497 A498 Y499 G500 T504	E491-N495 WeakPolarHBondContact O-CB 3.46Å; E491-N495 PolarHBondContact O-N 2.86Å; E491-N495 PolarHBondContact O-ND2 3.33Å; T492-N495 PolarHBondContact O-N 3.35Å; L493-N495 PolarHBondContact O-N 3.29Å; N495-L497 VanDerWaalsContact C-N 3.27Å; N495-L497 PolarHBondContact O-N 3.04Å; N495-A498 PolarHBondContact O-N 3.36Å; N495-Y499 HydrophobicContact CB-CD2 4.11Å; N495-Y499 WeakPolarHBondContact O-CA 3.3Å; N495-Y499 PolarHBondContact O-N 2.72Å; N495-Y499 WeakPolarHBondContact OD1-CE2 3.26Å; N495-G500 PolarHBondContact O-N 2.81Å; N495-T504 VanDerWaalsContact C-OG1 3.22Å; N495-T504 HydrophobicContact CB-CG2 3.69Å; N495-T504 WeakPolarHBondContact CB-OG1 3.49Å; N495-T504 PolarHBondContact O-OG1 3.29Å
496	C	97.4	Very high	94.5	Very high	5 Å²	5	33.6 Å²	33.6	3%	0.034	17%	0.171	C	C	.	.	H	α-helix	trans	-58.8	-36.3	171.7	-75.6	0	0	0	0	112.9	T492 L493 F494 G500 T504 L578	T492-C496 PolarHBondContact O-N 2.95Å; T492-C496 PolarHBondContact O-SG 3.27Å; T492-C496 VanDerWaalsContact O-SG 3.33Å; L493-C496 WeakPolarHBondContact O-CB 3.49Å; L493-C496 PolarHBondContact O-N 2.86Å; F494-C496 VanDerWaalsContact C-N 3.31Å; F494-C496 PolarHBondContact O-N 3.39Å; C496-G500 WeakPolarHBondContact O-CA 3.25Å; C496-G500 PolarHBondContact O-N 3.22Å; C496-T504 PolarHBondContact N-OG1 3.2Å; C496-L578 HydrophobicContact CB-CD1 4.21Å; C496-L578 HydrophobicContact CB-CD2 3.87Å
497	L	97.9	Very high	94.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-75.6	-44.6	177.5	-63.7	172.6	0	0	0	112.3	F489 L493 F494 N495 L578 F581 K582 L585 Q595	F489-L497 HydrophobicContact CD2-CD1 4.23Å; F489-L497 HydrophobicContact CE2-CD1 4.11Å; L493-L497 HydrophobicContact CD1-CG 4.46Å; L493-L497 HydrophobicContact CG-CD1 4.42Å; L493-L497 WeakPolarHBondContact O-CG 3.36Å; L493-L497 PolarHBondContact O-N 2.91Å; L493-L497 VanDerWaalsContact O-N 3.13Å; F494-L497 WeakPolarHBondContact O-CB 3.26Å; F494-L497 PolarHBondContact O-N 3.14Å; N495-L497 VanDerWaalsContact C-N 3.27Å; N495-L497 PolarHBondContact O-N 3.04Å; L497-L578 HydrophobicContact CD2-CD1 3.93Å; L497-F581 HydrophobicContact CD1-CE1 4.19Å; L497-F581 HydrophobicContact CD2-CD1 4.13Å; L497-F581 HydrophobicContact CD2-CE1 4.45Å; L497-K582 HydrophobicContact CD2-CD 4.23Å; L497-K582 HydrophobicContact CD2-CG 3.45Å; L497-K582 VanDerWaalsContact CD2-CG 3.45Å; L497-L585 HydrophobicContact CD1-CD1 3.96Å; L497-L585 HydrophobicContact CD2-CD1 3.98Å; L497-Q595 WeakPolarHBondContact O-CG 3.29Å; L497-Q595 PolarHBondContact O-NE2 3.04Å
498	A	96	Very high	94.4	Very high	9 Å²	9	38.9 Å²	38.9	7%	0.074	20%	0.202	C	C	.	.	H	α-helix	trans	-78.7	-43.4	-173.3	0	0	0	0	0	113.4	F494 N495 I594 P598	F494-A498 HydrophobicContact CD1-CB 4.23Å; F494-A498 HydrophobicContact CE1-CB 3.74Å; F494-A498 HydrophobicContact CZ-CB 4.12Å; F494-A498 WeakPolarHBondContact O-CB 3.42Å; F494-A498 PolarHBondContact O-N 3.42Å; N495-A498 PolarHBondContact O-N 3.36Å; A498-I594 HydrophobicContact CB-CG2 4.36Å; A498-P598 HydrophobicContact CB-CB 3.85Å
499	Y	93.6	Very high	94.1	Very high	99 Å²	99	43.2 Å²	43.2	39%	0.388	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.9	-10.4	-169	-51.1	-60.6	0	0	0	113.6	N495 N503 P598	N495-Y499 HydrophobicContact CB-CD2 4.11Å; N495-Y499 WeakPolarHBondContact O-CA 3.3Å; N495-Y499 PolarHBondContact O-N 2.72Å; N495-Y499 WeakPolarHBondContact OD1-CE2 3.26Å; Y499-N503 PolarHBondContact O-ND2 3.08Å; Y499-P598 HydrophobicContact CE1-CB 4.14Å; Y499-P598 HydrophobicContact CE1-CG 3.8Å; Y499-P598 WeakPolarHBondContact OH-CB 3.48Å; Y499-P598 WeakPolarHBondContact OH-CG 3.49Å
500	G	93.1	Very high	93.8	Very high	9 Å²	9	44.3 Å²	44.3	9%	0.093	24%	0.244	C	C	.	.			trans	95.3	150.4	-176.9	0	0	0	0	0	113	N495 C496 E502 N503 T504	N495-G500 PolarHBondContact O-N 2.81Å; C496-G500 WeakPolarHBondContact O-CA 3.25Å; C496-G500 PolarHBondContact O-N 3.22Å; G500-E502 VanDerWaalsContact C-N 3.26Å; G500-E502 PolarHBondContact O-N 3.26Å; G500-N503 PolarHBondContact O-N 3.3Å; G500-T504 PolarHBondContact O-OG1 3.34Å
501	P	92.6	Very high	93.6	Very high	14 Å²	14	44.8 Å²	44.8	9%	0.091	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-60	-36	-179.6	23.8	-33.1	0	0	0	112.6	N503 T504 F567 I571 L578	P501-N503 PolarHBondContact O-N 3.06Å; P501-T504 PolarHBondContact O-N 3.21Å; P501-F567 WeakPolarHBondContact O-CE2 3.44Å; P501-I571 HydrophobicContact CB-CG2 3.4Å; P501-L578 HydrophobicContact CB-CD2 4.34Å
502	E	89.3	Confident	93.3	Very high	133 Å²	133	43.5 Å²	43.5	62%	0.621	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-64.4	-24.9	179.8	66	-78	-179.2	0	0	114	G500	G500-E502 VanDerWaalsContact C-N 3.26Å; G500-E502 PolarHBondContact O-N 3.26Å
503	N	90.1	Very high	93.1	Very high	114 Å²	114	46.1 Å²	46.1	61%	0.61	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-99.9	8.7	-179.9	-63.1	-49.8	0	0	0	112.7	Y499 G500 P501	Y499-N503 PolarHBondContact O-ND2 3.08Å; G500-N503 PolarHBondContact O-N 3.3Å; P501-N503 PolarHBondContact O-N 3.06Å
504	T	93.4	Very high	92.8	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.018	29%	0.286	C	S	.	.			trans	-108.8	135.9	-175	-59.3	0	0	0	0	111.4	T492 N495 C496 G500 P501 I571	T492-T504 HydrophobicContact CG2-CG2 3.98Å; N495-T504 VanDerWaalsContact C-OG1 3.22Å; N495-T504 HydrophobicContact CB-CG2 3.69Å; N495-T504 WeakPolarHBondContact CB-OG1 3.49Å; N495-T504 PolarHBondContact O-OG1 3.29Å; C496-T504 PolarHBondContact N-OG1 3.2Å; G500-T504 PolarHBondContact O-OG1 3.34Å; P501-T504 PolarHBondContact O-N 3.21Å; T504-I571 HydrophobicContact CG2-CD1 3.85Å
505	L	90.7	Very high	92.6	Very high	127 Å²	127	58 Å²	58	67%	0.665	31%	0.314	S	S	*	.			trans	-113.8	103.1	178.2	-68.3	172.3	0	0	0	110.1
506	P	93.9	Very high	92.5	Very high	15 Å²	15	56.7 Å²	56.7	10%	0.097	31%	0.307	C	S	.	.			trans	-72.1	155.7	176.3	24	-25.4	0	0	0	111.7	T492 L566 V570 I571	T492-P506 HydrophobicContact CG2-CB 4.05Å; P506-L566 HydrophobicContact CG-CB 4.03Å; P506-L566 WeakPolarHBondContact CG-O 3.41Å; P506-V570 HydrophobicContact CB-CB 3.79Å; P506-V570 HydrophobicContact CB-CG1 3.85Å; P506-V570 HydrophobicContact CB-CG2 4.04Å; P506-V570 HydrophobicContact CG-CB 4.2Å; P506-I571 HydrophobicContact CB-CD1 4.49Å; P506-I571 HydrophobicContact CG-CD1 3.88Å; P506-I571 HydrophobicContact CG-CG1 4.19Å
507	S	91.8	Very high	92.4	Very high	54 Å²	54	57.1 Å²	57.1	38%	0.378	31%	0.311	S	S	.	.			trans	-112.9	168.7	179.8	77.6	0	0	0	0	111.9	A509 D510 L566	S507-A509 PolarHBondContact O-N 3.38Å; S507-A509 PolarHBondContact OG-N 3.01Å; S507-D510 WeakPolarHBondContact CA-OD2 3.49Å; S507-D510 WeakPolarHBondContact CB-OD2 3.34Å; S507-D510 PolarHBondContact N-OD2 2.96Å; S507-D510 WeakPolarHBondContact O-CB 3.08Å; S507-D510 PolarHBondContact O-N 3.46Å; S507-D510 PolarHBondContact OG-OD2 3.03Å; S507-L566 WeakPolarHBondContact O-CD2 3.44Å
508	L	92.1	Very high	92.3	Very high	71 Å²	71	60.3 Å²	60.3	37%	0.372	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-59.3	-28.4	173.2	-178.3	62.3	0	0	0	112.5	D510 V511 A517 I520 I521	L508-D510 PolarHBondContact O-N 3.41Å; L508-V511 PolarHBondContact O-N 2.89Å; L508-A517 HydrophobicContact CD1-CB 4.04Å; L508-I520 HydrophobicContact CD1-CB 4.07Å; L508-I520 HydrophobicContact CD1-CD1 4.22Å; L508-I520 HydrophobicContact CD1-CG2 3.9Å; L508-I521 HydrophobicContact CD2-CD1 4.16Å; L508-I521 HydrophobicContact CD2-CG1 3.72Å
509	A	89.8	Confident	92.3	Very high	91 Å²	91	61.4 Å²	61.4	75%	0.752	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-68.8	-18.2	178.2	0	0	0	0	0	113	S507 V511	S507-A509 PolarHBondContact O-N 3.38Å; S507-A509 PolarHBondContact OG-N 3.01Å; A509-V511 VanDerWaalsContact C-N 3.32Å
510	D	90.1	Very high	92.4	Very high	22 Å²	22	56.9 Å²	56.9	12%	0.118	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-83.1	-9.4	176.4	-60.8	-81.5	0	0	0	113	N455 T492 S507 L508 V570	N455-D510 PolarHBondContact ND2-OD1 2.95Å; T492-D510 WeakPolarHBondContact CB-OD1 3.35Å; T492-D510 PolarHBondContact OG1-OD1 3.41Å; T492-D510 PolarHBondContact OG1-OD2 3.16Å; T492-D510 VanDerWaalsContact OG1-OD2 3.08Å; S507-D510 WeakPolarHBondContact CA-OD2 3.49Å; S507-D510 WeakPolarHBondContact CB-OD2 3.34Å; S507-D510 PolarHBondContact N-OD2 2.96Å; S507-D510 WeakPolarHBondContact O-CB 3.08Å; S507-D510 PolarHBondContact O-N 3.46Å; S507-D510 PolarHBondContact OG-OD2 3.03Å; L508-D510 PolarHBondContact O-N 3.41Å; D510-V570 HydrophobicContact CB-CG1 3.79Å; D510-V570 HydrophobicContact CB-CG2 3.99Å
511	V	91.6	Very high	92.6	Very high	14 Å²	14	59.4 Å²	59.4	9%	0.085	32%	0.323	C	S	.	.			trans	-92	109.5	-178.6	-176.5	0	0	0	0	109.8	L508 A509 V516 A517 I520 L566 V570	L508-V511 PolarHBondContact O-N 2.89Å; A509-V511 VanDerWaalsContact C-N 3.32Å; V511-V516 HydrophobicContact CG1-CB 4Å; V511-V516 HydrophobicContact CG1-CG1 3.87Å; V511-A517 HydrophobicContact CG1-CB 4.11Å; V511-I520 HydrophobicContact CG2-CD1 3.95Å; V511-L566 HydrophobicContact CG2-CD2 3.58Å; V511-V570 HydrophobicContact CG2-CG2 3.95Å
512	L	87.9	Confident	92.7	Very high	87 Å²	87	63.7 Å²	63.7	46%	0.455	34%	0.341	S	S	.	.			trans	-88.5	-23.8	178.1	-62.8	175.5	0	0	0	113.5	E449 G450 F514	E449-L512 HydrophobicContact CB-CD1 3.36Å; E449-L512 HydrophobicContact CG-CD1 3.5Å; G450-L512 VanDerWaalsContact N-CD1 3.28Å; L512-F514 PolarHBondContact O-N 2.9Å
513	D	90.4	Very high	93	Very high	63 Å²	63	57.4 Å²	57.4	34%	0.337	31%	0.311	S	S	.	.			trans	-69.4	112.2	175.7	-173.8	-52	0	0	0	109.3	D515 V516 A517	D513-D515 VanDerWaalsContact C-N 3.3Å; D513-D515 PolarHBondContact O-N 3.38Å; D513-D515 PolarHBondContact OD1-N 3.11Å; D513-V516 HydrophobicContact CB-CB 4Å; D513-V516 HydrophobicContact CB-CG2 3.98Å; D513-V516 PolarHBondContact O-N 3.39Å; D513-V516 WeakPolarHBondContact OD1-CG2 3.4Å; D513-V516 PolarHBondContact OD1-N 3.41Å; D513-A517 WeakPolarHBondContact O-CB 3.39Å; D513-A517 PolarHBondContact O-N 3.29Å
514	F	92.2	Very high	93.2	Very high	144 Å²	144	55.5 Å²	55.5	63%	0.632	30%	0.301	S	S	*	.	H	α-helix	trans	-59.9	-41.2	-176.2	177.7	-95.9	0	0	0	111.9	L512 A517 Q518	L512-F514 PolarHBondContact O-N 2.9Å; F514-A517 PolarHBondContact O-N 3.48Å; F514-Q518 HydrophobicContact CD1-CG 4.1Å; F514-Q518 HydrophobicContact CE1-CG 3.67Å; F514-Q518 HydrophobicContact CE2-CG 4.27Å; F514-Q518 HydrophobicContact CZ-CG 3.76Å; F514-Q518 VanDerWaalsContact O-CG 3.32Å; F514-Q518 WeakPolarHBondContact O-CG 3.44Å; F514-Q518 PolarHBondContact O-N 3.4Å
515	D	93.8	Very high	93.3	Very high	112 Å²	112	60.2 Å²	60.2	60%	0.599	33%	0.33	S	S	*	.	H	α-helix	trans	-68.7	-42	-176.8	-65.7	-38.5	0	0	0	110.5	D513 Q518 I519	D513-D515 VanDerWaalsContact C-N 3.3Å; D513-D515 PolarHBondContact O-N 3.38Å; D513-D515 PolarHBondContact OD1-N 3.11Å; D515-Q518 PolarHBondContact O-N 2.91Å; D515-I519 WeakPolarHBondContact O-CG1 2.97Å; D515-I519 PolarHBondContact O-N 2.83Å
516	V	94.3	Very high	93.6	Very high	5 Å²	5	54.5 Å²	54.5	3%	0.03	30%	0.301	C	S	.	.	H	α-helix	trans	-64.3	-42.2	174.7	178.1	0	0	0	0	111.3	V511 D513 Q518 I519 I520 Y542 I565 H569	V511-V516 HydrophobicContact CG1-CB 4Å; V511-V516 HydrophobicContact CG1-CG1 3.87Å; D513-V516 HydrophobicContact CB-CB 4Å; D513-V516 HydrophobicContact CB-CG2 3.98Å; D513-V516 PolarHBondContact O-N 3.39Å; D513-V516 WeakPolarHBondContact OD1-CG2 3.4Å; D513-V516 PolarHBondContact OD1-N 3.41Å; V516-Q518 VanDerWaalsContact C-N 3.32Å; V516-Q518 PolarHBondContact O-N 3.44Å; V516-I519 PolarHBondContact O-N 3.44Å; V516-I520 HydrophobicContact CG1-CD1 4Å; V516-I520 WeakPolarHBondContact O-CG1 3.18Å; V516-I520 PolarHBondContact O-N 3.08Å; V516-Y542 HydrophobicContact CG1-CE1 4.46Å; V516-Y542 VanDerWaalsContact CG1-OH 3.31Å; V516-Y542 WeakPolarHBondContact CG1-OH 3.39Å; V516-Y542 HydrophobicContact CG2-CE1 4.45Å; V516-Y542 HydrophobicContact CG2-CE2 3.97Å; V516-Y542 WeakPolarHBondContact CG2-OH 3.37Å; V516-I565 HydrophobicContact CG1-CG2 4.3Å; V516-H569 HydrophobicContact CG1-CB 4.5Å
517	A	95.1	Very high	93.6	Very high	14 Å²	14	57.6 Å²	57.6	12%	0.116	33%	0.328	C	S	.	.	H	α-helix	trans	-60.4	-42.3	175.3	0	0	0	0	0	111.6	L508 V511 D513 F514 I520 I521	L508-A517 HydrophobicContact CD1-CB 4.04Å; V511-A517 HydrophobicContact CG1-CB 4.11Å; D513-A517 WeakPolarHBondContact O-CB 3.39Å; D513-A517 PolarHBondContact O-N 3.29Å; F514-A517 PolarHBondContact O-N 3.48Å; A517-I520 PolarHBondContact O-N 2.6Å; A517-I521 VanDerWaalsContact O-CG1 3.26Å; A517-I521 WeakPolarHBondContact O-CG1 3.5Å; A517-I521 PolarHBondContact O-N 3.34Å
518	Q	95.9	Very high	93.8	Very high	66 Å²	66	58.5 Å²	58.5	31%	0.308	33%	0.331	S	S	.	.	H	α-helix	trans	-63.5	-40.4	175.2	-70.9	-54.8	-46.2	0	0	112.5	F514 D515 V516 I521 K522	F514-Q518 HydrophobicContact CD1-CG 4.1Å; F514-Q518 HydrophobicContact CE1-CG 3.67Å; F514-Q518 HydrophobicContact CE2-CG 4.27Å; F514-Q518 HydrophobicContact CZ-CG 3.76Å; F514-Q518 VanDerWaalsContact O-CG 3.32Å; F514-Q518 WeakPolarHBondContact O-CG 3.44Å; F514-Q518 PolarHBondContact O-N 3.4Å; D515-Q518 PolarHBondContact O-N 2.91Å; V516-Q518 VanDerWaalsContact C-N 3.32Å; V516-Q518 PolarHBondContact O-N 3.44Å; Q518-I521 PolarHBondContact O-N 2.93Å; Q518-K522 WeakPolarHBondContact O-CB 3.33Å; Q518-K522 VanDerWaalsContact O-CG 3.3Å; Q518-K522 WeakPolarHBondContact O-CG 3.49Å; Q518-K522 PolarHBondContact O-N 2.99Å
519	I	95.6	Very high	94.1	Very high	32 Å²	32	58.2 Å²	58.2	16%	0.164	33%	0.329	C	S	.	.	H	α-helix	trans	-58.8	-49	174.5	-70.2	166	0	0	0	110.2	D515 V516 I521 K522 I523 C539 Y542	D515-I519 WeakPolarHBondContact O-CG1 2.97Å; D515-I519 PolarHBondContact O-N 2.83Å; V516-I519 PolarHBondContact O-N 3.44Å; I519-I521 PolarHBondContact O-N 3.43Å; I519-K522 PolarHBondContact O-N 3.23Å; I519-I523 HydrophobicContact CG2-CD1 3.74Å; I519-I523 HydrophobicContact CG2-CG1 4.48Å; I519-I523 VanDerWaalsContact O-CG1 3.31Å; I519-I523 WeakPolarHBondContact O-CG1 3.08Å; I519-I523 PolarHBondContact O-N 3.03Å; I519-C539 HydrophobicContact CD1-CB 4.18Å; I519-C539 HydrophobicContact CG1-CB 4.21Å; I519-C539 HydrophobicContact CG2-CB 4.04Å; I519-Y542 HydrophobicContact CD1-CD1 3.9Å; I519-Y542 HydrophobicContact CD1-CE1 4.37Å; I519-Y542 HydrophobicContact CD1-CG 4.27Å
520	I	96.5	Very high	94.3	Very high	4 Å²	4	59.9 Å²	59.9	2%	0.021	33%	0.326	C	S	.	.	H	α-helix	trans	-60.8	-45.6	179.8	-67.4	162.7	0	0	0	111.1	L508 V511 V516 A517 I523 N524 V562 I565 L566	L508-I520 HydrophobicContact CD1-CB 4.07Å; L508-I520 HydrophobicContact CD1-CD1 4.22Å; L508-I520 HydrophobicContact CD1-CG2 3.9Å; V511-I520 HydrophobicContact CG2-CD1 3.95Å; V516-I520 HydrophobicContact CG1-CD1 4Å; V516-I520 WeakPolarHBondContact O-CG1 3.18Å; V516-I520 PolarHBondContact O-N 3.08Å; A517-I520 PolarHBondContact O-N 2.6Å; I520-I523 PolarHBondContact O-N 3.32Å; I520-N524 WeakPolarHBondContact O-CB 3.31Å; I520-N524 PolarHBondContact O-N 3.22Å; I520-V562 HydrophobicContact CG2-CG1 3.81Å; I520-V562 HydrophobicContact CG2-CG2 4.3Å; I520-I565 HydrophobicContact CD1-CG2 3.94Å; I520-I565 HydrophobicContact CG1-CB 4.47Å; I520-I565 HydrophobicContact CG1-CG2 3.79Å; I520-L566 HydrophobicContact CD1-CD2 3.73Å; I520-L566 HydrophobicContact CD1-CG 4.15Å
521	I	96.4	Very high	94.6	Very high	62 Å²	62	61 Å²	61	32%	0.318	34%	0.335	S	S	.	.	H	α-helix	trans	-58.8	-51.4	178.1	-70	164	0	0	0	110.1	L508 A517 Q518 I519 I523 N524 T525	L508-I521 HydrophobicContact CD2-CD1 4.16Å; L508-I521 HydrophobicContact CD2-CG1 3.72Å; A517-I521 VanDerWaalsContact O-CG1 3.26Å; A517-I521 WeakPolarHBondContact O-CG1 3.5Å; A517-I521 PolarHBondContact O-N 3.34Å; Q518-I521 PolarHBondContact O-N 2.93Å; I519-I521 PolarHBondContact O-N 3.43Å; I521-I523 PolarHBondContact O-N 3Å; I521-N524 PolarHBondContact O-N 3.28Å; I521-N524 VanDerWaalsContact O-N 3.15Å; I521-T525 HydrophobicContact CG2-CG2 4.19Å; I521-T525 WeakPolarHBondContact O-CG2 3.21Å; I521-T525 PolarHBondContact O-N 3.22Å; I521-T525 PolarHBondContact O-OG1 2.96Å
522	K	96.1	Very high	94.8	Very high	105 Å²	105	60.3 Å²	60.3	46%	0.457	33%	0.331	S	S	.	.	H	α-helix	trans	-57.6	-45	-179.6	-74.1	176.4	178.7	-176.3	0	112.4	Q518 I519 T525 A526 V535	Q518-K522 WeakPolarHBondContact O-CB 3.33Å; Q518-K522 VanDerWaalsContact O-CG 3.3Å; Q518-K522 WeakPolarHBondContact O-CG 3.49Å; Q518-K522 PolarHBondContact O-N 2.99Å; I519-K522 PolarHBondContact O-N 3.23Å; K522-T525 PolarHBondContact O-OG1 2.91Å; K522-A526 PolarHBondContact O-N 3.38Å; K522-V535 HydrophobicContact CB-CG1 3.83Å; K522-V535 HydrophobicContact CB-CG2 4.39Å
523	I	95.7	Very high	95.3	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-61.6	-46.2	177.2	-68.1	169.7	0	0	0	110.2	I519 I520 I521 T525 A526 L532 V535 K558 L561 V562 I565	I519-I523 HydrophobicContact CG2-CD1 3.74Å; I519-I523 HydrophobicContact CG2-CG1 4.48Å; I519-I523 VanDerWaalsContact O-CG1 3.31Å; I519-I523 WeakPolarHBondContact O-CG1 3.08Å; I519-I523 PolarHBondContact O-N 3.03Å; I520-I523 PolarHBondContact O-N 3.32Å; I521-I523 PolarHBondContact O-N 3Å; I523-T525 PolarHBondContact O-N 2.84Å; I523-A526 WeakPolarHBondContact O-CB 3.31Å; I523-A526 PolarHBondContact O-N 3.07Å; I523-L532 HydrophobicContact CG2-CD1 3.91Å; I523-V535 HydrophobicContact CG1-CG1 3.58Å; I523-K558 HydrophobicContact CG2-CB 3.97Å; I523-L561 HydrophobicContact CD1-CD2 3.97Å; I523-L561 HydrophobicContact CD1-CG 4.36Å; I523-L561 HydrophobicContact CG2-CD2 4.12Å; I523-V562 HydrophobicContact CB-CG2 4.17Å; I523-V562 HydrophobicContact CG2-CG2 3.67Å; I523-I565 HydrophobicContact CD1-CD1 3.58Å
524	N	94.3	Very high	95.5	Very high	75 Å²	75	59.9 Å²	59.9	40%	0.401	33%	0.329	S	S	.	.	H	α-helix	trans	-68.6	-36.7	-176.6	-162.2	24.3	0	0	0	112.5	I520 I521 A526 K558 V562	I520-N524 WeakPolarHBondContact O-CB 3.31Å; I520-N524 PolarHBondContact O-N 3.22Å; I521-N524 PolarHBondContact O-N 3.28Å; I521-N524 VanDerWaalsContact O-N 3.15Å; N524-A526 VanDerWaalsContact C-N 3.28Å; N524-A526 PolarHBondContact O-N 2.9Å; N524-K558 PolarHBondContact O-NZ 3.39Å; N524-V562 HydrophobicContact CB-CG2 4.33Å
525	T	95.4	Very high	95.7	Very high	102 Å²	102	54.1 Å²	54.1	63%	0.626	31%	0.306	S	S	*	.	H	α-helix	trans	-77.6	-8.6	179.6	56.8	0	0	0	0	114.1	I521 K522 I523 A527	I521-T525 HydrophobicContact CG2-CG2 4.19Å; I521-T525 WeakPolarHBondContact O-CG2 3.21Å; I521-T525 PolarHBondContact O-N 3.22Å; I521-T525 PolarHBondContact O-OG1 2.96Å; K522-T525 PolarHBondContact O-OG1 2.91Å; I523-T525 PolarHBondContact O-N 2.84Å; T525-A527 PolarHBondContact O-N 3.42Å
526	A	96.3	Very high	95.8	Very high	7 Å²	7	49 Å²	49	6%	0.058	28%	0.278	C	S	.	.			trans	-59.1	122.5	178.1	0	0	0	0	0	111.2	K522 I523 N524 L532 K558	K522-A526 PolarHBondContact O-N 3.38Å; I523-A526 WeakPolarHBondContact O-CB 3.31Å; I523-A526 PolarHBondContact O-N 3.07Å; N524-A526 VanDerWaalsContact C-N 3.28Å; N524-A526 PolarHBondContact O-N 2.9Å; A526-L532 HydrophobicContact CB-CB 3.85Å; A526-L532 HydrophobicContact CB-CD1 4.13Å; A526-K558 PolarHBondContact O-NZ 2.88Å
527	A	95.1	Very high	95.8	Very high	79 Å²	79	54 Å²	54	65%	0.653	31%	0.305	S	S	*	.			trans	-95.6	-16.1	-176.9	0	0	0	0	0	113.9	T525	T525-A527 PolarHBondContact O-N 3.42Å
528	T	96.3	Very high	95.8	Very high	73 Å²	73	59.6 Å²	59.6	45%	0.448	33%	0.329	S	S	.	.	S	Bend	trans	-133.7	157.6	-179.7	73.6	0	0	0	0	111.2	N530 S531 L532	T528-N530 PolarHBondContact O-N 3.14Å; T528-S531 PolarHBondContact N-OG 3.01Å; T528-S531 PolarHBondContact O-N 2.99Å; T528-S531 PolarHBondContact O-OG 3.37Å; T528-S531 VanDerWaalsContact O-OG 3.07Å; T528-S531 PolarHBondContact OG1-N 3.26Å; T528-S531 VanDerWaalsContact OG1-N 3.16Å; T528-S531 PolarHBondContact OG1-OG 3.43Å; T528-L532 WeakPolarHBondContact O-CB 3.35Å; T528-L532 PolarHBondContact O-N 3.28Å
529	I	96.5	Very high	95.7	Very high	65 Å²	65	57.1 Å²	57.1	33%	0.333	32%	0.318	S	S	.	.	H	α-helix	trans	-59.9	-36.7	177.1	-67.1	173.6	0	0	0	110.9	K533 L555	I529-K533 HydrophobicContact CG2-CD 4.08Å; I529-K533 HydrophobicContact CG2-CG 4.47Å; I529-K533 WeakPolarHBondContact O-CB 3.38Å; I529-K533 VanDerWaalsContact O-CG 3.31Å; I529-K533 WeakPolarHBondContact O-CG 3.31Å; I529-K533 PolarHBondContact O-N 2.85Å; I529-L555 HydrophobicContact CG1-CB 4.2Å
530	N	95.8	Very high	95.7	Very high	127 Å²	127	57.4 Å²	57.4	68%	0.679	32%	0.324	S	S	*	.	H	α-helix	trans	-69.6	-42.3	179.7	-68.1	-15.1	0	0	0	111.9	T528 K533 S534	T528-N530 PolarHBondContact O-N 3.14Å; N530-K533 PolarHBondContact O-N 3.33Å; N530-S534 PolarHBondContact O-N 3.14Å
531	S	95.9	Very high	95.6	Very high	44 Å²	44	61.7 Å²	61.7	31%	0.308	35%	0.354	S	S	.	.	H	α-helix	trans	-67.3	-38.6	176	64.4	0	0	0	0	111.7	T528 S534 V535	T528-S531 PolarHBondContact N-OG 3.01Å; T528-S531 PolarHBondContact O-N 2.99Å; T528-S531 PolarHBondContact O-OG 3.37Å; T528-S531 VanDerWaalsContact O-OG 3.07Å; T528-S531 PolarHBondContact OG1-N 3.26Å; T528-S531 VanDerWaalsContact OG1-N 3.16Å; T528-S531 PolarHBondContact OG1-OG 3.43Å; S531-S534 WeakPolarHBondContact O-CB 3.38Å; S531-S534 PolarHBondContact O-N 3.49Å; S531-V535 WeakPolarHBondContact O-CG2 3.45Å; S531-V535 PolarHBondContact O-N 3.35Å
532	L	96.4	Very high	95.5	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-60.9	-45.4	173.8	-180	58.3	0	0	0	112	I523 A526 T528 S534 V535 V536 I552 L555 K558	I523-L532 HydrophobicContact CG2-CD1 3.91Å; A526-L532 HydrophobicContact CB-CB 3.85Å; A526-L532 HydrophobicContact CB-CD1 4.13Å; T528-L532 WeakPolarHBondContact O-CB 3.35Å; T528-L532 PolarHBondContact O-N 3.28Å; L532-S534 VanDerWaalsContact C-N 3.35Å; L532-S534 PolarHBondContact O-N 3.03Å; L532-V535 PolarHBondContact O-N 3.31Å; L532-V536 HydrophobicContact CD1-CG2 4.22Å; L532-V536 VanDerWaalsContact O-CG2 3.31Å; L532-V536 WeakPolarHBondContact O-CG2 3.46Å; L532-V536 PolarHBondContact O-N 3.36Å; L532-I552 HydrophobicContact CD2-CD1 4.39Å; L532-I552 HydrophobicContact CD2-CG2 3.56Å; L532-I552 HydrophobicContact CG-CD1 4.48Å; L532-I552 HydrophobicContact CG-CG1 4.39Å; L532-I552 HydrophobicContact CG-CG2 3.94Å; L532-L555 HydrophobicContact CD2-CD1 4.27Å; L532-K558 HydrophobicContact CD1-CB 3.76Å; L532-K558 HydrophobicContact CD2-CB 3.79Å; L532-K558 HydrophobicContact CG-CB 4.46Å
533	K	96.6	Very high	95.5	Very high	86 Å²	86	56.1 Å²	56.1	37%	0.374	33%	0.326	S	S	.	.	H	α-helix	trans	-61	-40.3	175.2	-76.7	175.5	178.8	-178.8	0	112.6	I529 N530 V536 N537 I552	I529-K533 HydrophobicContact CG2-CD 4.08Å; I529-K533 HydrophobicContact CG2-CG 4.47Å; I529-K533 WeakPolarHBondContact O-CB 3.38Å; I529-K533 VanDerWaalsContact O-CG 3.31Å; I529-K533 WeakPolarHBondContact O-CG 3.31Å; I529-K533 PolarHBondContact O-N 2.85Å; N530-K533 PolarHBondContact O-N 3.33Å; K533-V536 PolarHBondContact O-N 3.04Å; K533-N537 WeakPolarHBondContact O-CB 3.3Å; K533-N537 PolarHBondContact O-N 2.83Å; K533-N537 PolarHBondContact O-ND2 3.24Å; K533-I552 WeakPolarHBondContact CE-O 3.25Å; K533-I552 HydrophobicContact CG-CB 3.95Å; K533-I552 HydrophobicContact CG-CG2 4.2Å
534	S	96.1	Very high	95.5	Very high	56 Å²	56	62.7 Å²	62.7	39%	0.392	36%	0.357	S	S	.	.	H	α-helix	trans	-59.4	-51.1	175.2	-166.8	0	0	0	0	111.1	N530 S531 L532 V536 N537 E538	N530-S534 PolarHBondContact O-N 3.14Å; S531-S534 WeakPolarHBondContact O-CB 3.38Å; S531-S534 PolarHBondContact O-N 3.49Å; L532-S534 VanDerWaalsContact C-N 3.35Å; L532-S534 PolarHBondContact O-N 3.03Å; S534-V536 PolarHBondContact O-N 3.25Å; S534-N537 PolarHBondContact O-N 3.17Å; S534-E538 WeakPolarHBondContact O-CG 3.37Å; S534-E538 PolarHBondContact O-N 2.98Å; S534-E538 PolarHBondContact OG-OE1 2.98Å
535	V	95.6	Very high	95.4	Very high	22 Å²	22	66.8 Å²	66.8	13%	0.133	37%	0.372	C	S	.	.	H	α-helix	trans	-60.7	-44.7	179.9	176	0	0	0	0	111.1	K522 I523 S531 L532 N537 E538 C539	K522-V535 HydrophobicContact CB-CG1 3.83Å; K522-V535 HydrophobicContact CB-CG2 4.39Å; I523-V535 HydrophobicContact CG1-CG1 3.58Å; S531-V535 WeakPolarHBondContact O-CG2 3.45Å; S531-V535 PolarHBondContact O-N 3.35Å; L532-V535 PolarHBondContact O-N 3.31Å; V535-N537 VanDerWaalsContact C-N 3.31Å; V535-N537 PolarHBondContact O-N 2.83Å; V535-E538 WeakPolarHBondContact O-CB 3.35Å; V535-E538 PolarHBondContact O-N 3.48Å; V535-C539 PolarHBondContact O-N 3.09Å; V535-C539 VanDerWaalsContact O-N 3.07Å; V535-C539 PolarHBondContact O-SG 2.86Å
536	V	95.7	Very high	95.4	Very high	4 Å²	4	62.5 Å²	62.5	2%	0.024	34%	0.344	C	S	.	.	H	α-helix	trans	-62.6	-37.5	178	169.7	0	0	0	0	112	L532 K533 S534 S540 L543 L549 I552 L561	L532-V536 HydrophobicContact CD1-CG2 4.22Å; L532-V536 VanDerWaalsContact O-CG2 3.31Å; L532-V536 WeakPolarHBondContact O-CG2 3.46Å; L532-V536 PolarHBondContact O-N 3.36Å; K533-V536 PolarHBondContact O-N 3.04Å; S534-V536 PolarHBondContact O-N 3.25Å; V536-S540 WeakPolarHBondContact O-CA 3.49Å; V536-S540 PolarHBondContact O-N 3.38Å; V536-L543 HydrophobicContact CB-CD1 4.48Å; V536-L543 HydrophobicContact CG1-CD1 3.94Å; V536-L549 HydrophobicContact CG1-CD1 4.2Å; V536-I552 HydrophobicContact CB-CG1 4.45Å; V536-I552 HydrophobicContact CG1-CG1 4.42Å; V536-I552 HydrophobicContact CG2-CD1 4.14Å; V536-I552 HydrophobicContact CG2-CG1 4.02Å; V536-L561 HydrophobicContact CG2-CD2 3.62Å
537	N	95.1	Very high	95.2	Very high	112 Å²	112	65.3 Å²	65.3	60%	0.599	38%	0.375	S	S	*	.	H	α-helix	trans	-68.8	-41.7	175.2	-73	-16	0	0	0	111.7	K533 S534 V535 C539 S540	K533-N537 WeakPolarHBondContact O-CB 3.3Å; K533-N537 PolarHBondContact O-N 2.83Å; K533-N537 PolarHBondContact O-ND2 3.24Å; S534-N537 PolarHBondContact O-N 3.17Å; V535-N537 VanDerWaalsContact C-N 3.31Å; V535-N537 PolarHBondContact O-N 2.83Å; N537-C539 VanDerWaalsContact C-N 3.3Å; N537-C539 PolarHBondContact O-N 2.67Å; N537-S540 VanDerWaalsContact O-CB 3.31Å; N537-S540 WeakPolarHBondContact O-CB 3.4Å; N537-S540 PolarHBondContact O-N 2.84Å; N537-S540 PolarHBondContact O-OG 2.72Å
538	E	94.9	Very high	95.2	Very high	131 Å²	131	62 Å²	62	61%	0.612	35%	0.346	S	S	*	.	H	α-helix	trans	-59.9	-38	177	-74.3	166.1	-143.4	0	0	112.3	S534 V535	S534-E538 WeakPolarHBondContact O-CG 3.37Å; S534-E538 PolarHBondContact O-N 2.98Å; S534-E538 PolarHBondContact OG-OE1 2.98Å; V535-E538 WeakPolarHBondContact O-CB 3.35Å; V535-E538 PolarHBondContact O-N 3.48Å
539	C	94.5	Very high	95	Very high	13 Å²	13	62.2 Å²	62.2	9%	0.088	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	15.5	178.2	66.7	0	0	0	0	114.5	I519 V535 N537 S541 Y542 L543	I519-C539 HydrophobicContact CD1-CB 4.18Å; I519-C539 HydrophobicContact CG1-CB 4.21Å; I519-C539 HydrophobicContact CG2-CB 4.04Å; V535-C539 PolarHBondContact O-N 3.09Å; V535-C539 VanDerWaalsContact O-N 3.07Å; V535-C539 PolarHBondContact O-SG 2.86Å; N537-C539 VanDerWaalsContact C-N 3.3Å; N537-C539 PolarHBondContact O-N 2.67Å; C539-S541 PolarHBondContact O-N 3Å; C539-Y542 PolarHBondContact O-N 2.92Å; C539-Y542 VanDerWaalsContact O-N 3.09Å; C539-L543 WeakPolarHBondContact O-CG 3.27Å; C539-L543 PolarHBondContact O-N 3.44Å; C539-L543 VanDerWaalsContact SG-CD1 3.56Å
540	S	94.1	Very high	94.8	Very high	39 Å²	39	62.8 Å²	62.8	27%	0.273	34%	0.342	S	S	.	.	H	α-helix	trans	-55.4	-44.3	-173	53.1	0	0	0	0	113.9	V536 N537 Y542 L543 E544	V536-S540 WeakPolarHBondContact O-CA 3.49Å; V536-S540 PolarHBondContact O-N 3.38Å; N537-S540 VanDerWaalsContact O-CB 3.31Å; N537-S540 WeakPolarHBondContact O-CB 3.4Å; N537-S540 PolarHBondContact O-N 2.84Å; N537-S540 PolarHBondContact O-OG 2.72Å; S540-Y542 VanDerWaalsContact C-N 3.29Å; S540-Y542 PolarHBondContact O-N 2.91Å; S540-L543 PolarHBondContact O-N 2.64Å; S540-E544 WeakPolarHBondContact O-CB 3.37Å; S540-E544 PolarHBondContact O-N 3.25Å
541	S	94.7	Very high	94.6	Very high	94 Å²	94	63.6 Å²	63.6	66%	0.657	35%	0.346	S	S	*	.	H	α-helix	trans	-59.1	-39.1	178.7	-47.3	0	0	0	0	112.9	C539 F545	C539-S541 PolarHBondContact O-N 3Å; S541-F545 WeakPolarHBondContact O-CB 3.3Å; S541-F545 PolarHBondContact O-N 3.33Å; S541-F545 VanDerWaalsContact O-N 3.14Å
542	Y	94.5	Very high	94.5	Very high	50 Å²	50	61.9 Å²	61.9	20%	0.196	33%	0.333	C	S	.	.	H	α-helix	trans	-70.1	-46.6	176.3	172.1	-105.6	0	0	0	110.9	V516 I519 C539 S540 E544 F545 I546 I565 H569	V516-Y542 HydrophobicContact CG1-CE1 4.46Å; V516-Y542 VanDerWaalsContact CG1-OH 3.31Å; V516-Y542 WeakPolarHBondContact CG1-OH 3.39Å; V516-Y542 HydrophobicContact CG2-CE1 4.45Å; V516-Y542 HydrophobicContact CG2-CE2 3.97Å; V516-Y542 WeakPolarHBondContact CG2-OH 3.37Å; I519-Y542 HydrophobicContact CD1-CD1 3.9Å; I519-Y542 HydrophobicContact CD1-CE1 4.37Å; I519-Y542 HydrophobicContact CD1-CG 4.27Å; C539-Y542 PolarHBondContact O-N 2.92Å; C539-Y542 VanDerWaalsContact O-N 3.09Å; S540-Y542 VanDerWaalsContact C-N 3.29Å; S540-Y542 PolarHBondContact O-N 2.91Å; Y542-E544 VanDerWaalsContact C-N 3.28Å; Y542-E544 PolarHBondContact O-N 2.87Å; Y542-F545 WeakPolarHBondContact O-CB 3.46Å; Y542-F545 PolarHBondContact O-N 3.04Å; Y542-I546 HydrophobicContact CD1-CD1 4.28Å; Y542-I546 HydrophobicContact CD2-CG2 4.34Å; Y542-I546 HydrophobicContact CE1-CD1 3.68Å; Y542-I546 HydrophobicContact CE2-CG2 3.87Å; Y542-I546 WeakPolarHBondContact O-CG1 3.44Å; Y542-I546 PolarHBondContact O-N 3.11Å; Y542-I546 VanDerWaalsContact O-N 3.11Å; Y542-I565 HydrophobicContact CE1-CG2 4.22Å; Y542-H569 PolarHBondContact OH-ND1 3.17Å
543	L	95.8	Very high	94.4	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-61.8	-35.7	179	-64.7	-178.5	0	0	0	112.5	V536 C539 S540 I546 G547 C548 L549 L561 I565	V536-L543 HydrophobicContact CB-CD1 4.48Å; V536-L543 HydrophobicContact CG1-CD1 3.94Å; C539-L543 WeakPolarHBondContact O-CG 3.27Å; C539-L543 PolarHBondContact O-N 3.44Å; C539-L543 VanDerWaalsContact SG-CD1 3.56Å; S540-L543 PolarHBondContact O-N 2.64Å; L543-I546 HydrophobicContact CD2-CD1 4.35Å; L543-I546 WeakPolarHBondContact O-CG1 3.26Å; L543-G547 PolarHBondContact O-N 2.73Å; L543-G547 VanDerWaalsContact O-N 3.15Å; L543-C548 HydrophobicContact CD2-CB 4.38Å; L543-C548 PolarHBondContact O-N 3Å; L543-L549 HydrophobicContact CB-CB 4Å; L543-L549 HydrophobicContact CB-CD1 4.15Å; L543-L549 HydrophobicContact CD1-CD1 4.35Å; L543-L549 PolarHBondContact O-N 3.37Å; L543-L549 VanDerWaalsContact O-N 3.09Å; L543-L561 HydrophobicContact CD1-CD1 4.38Å; L543-L561 HydrophobicContact CD1-CD2 4.27Å; L543-L561 HydrophobicContact CD2-CD1 4.16Å; L543-I565 HydrophobicContact CD2-CD1 3.58Å; L543-I565 HydrophobicContact CD2-CG1 3.78Å
544	E	95.3	Very high	94.3	Very high	137 Å²	137	64.8 Å²	64.8	64%	0.64	36%	0.36	S	S	*	.	H	α-helix	trans	-67.3	-47.4	174.9	-173.2	173.8	-169	0	0	111	S540 Y542 I546 G547 L549	S540-E544 WeakPolarHBondContact O-CB 3.37Å; S540-E544 PolarHBondContact O-N 3.25Å; Y542-E544 VanDerWaalsContact C-N 3.28Å; Y542-E544 PolarHBondContact O-N 2.87Å; E544-I546 VanDerWaalsContact C-N 3.26Å; E544-I546 PolarHBondContact O-N 3.04Å; E544-G547 PolarHBondContact O-N 3.33Å; E544-L549 HydrophobicContact CB-CD2 4.18Å
545	F	93.6	Very high	94.2	Very high	162 Å²	162	64.5 Å²	64.5	71%	0.711	35%	0.354	S	S	*	.	H	α-helix	trans	-56.1	-39.5	178.1	175	-102.9	0	0	0	112.9	S541 Y542	S541-F545 WeakPolarHBondContact O-CB 3.3Å; S541-F545 PolarHBondContact O-N 3.33Å; S541-F545 VanDerWaalsContact O-N 3.14Å; Y542-F545 WeakPolarHBondContact O-CB 3.46Å; Y542-F545 PolarHBondContact O-N 3.04Å
546	I	93.9	Very high	94.1	Very high	11 Å²	11	68.5 Å²	68.5	6%	0.056	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	1.8	178.7	70.6	171.1	0	0	0	113.8	Y542 L543 E544 C548 I565 Y568	Y542-I546 HydrophobicContact CD1-CD1 4.28Å; Y542-I546 HydrophobicContact CD2-CG2 4.34Å; Y542-I546 HydrophobicContact CE1-CD1 3.68Å; Y542-I546 HydrophobicContact CE2-CG2 3.87Å; Y542-I546 WeakPolarHBondContact O-CG1 3.44Å; Y542-I546 PolarHBondContact O-N 3.11Å; Y542-I546 VanDerWaalsContact O-N 3.11Å; L543-I546 HydrophobicContact CD2-CD1 4.35Å; L543-I546 WeakPolarHBondContact O-CG1 3.26Å; E544-I546 VanDerWaalsContact C-N 3.26Å; E544-I546 PolarHBondContact O-N 3.04Å; I546-C548 VanDerWaalsContact C-N 3.31Å; I546-C548 HydrophobicContact CD1-CB 3.85Å; I546-C548 HydrophobicContact CG1-CB 3.8Å; I546-C548 PolarHBondContact O-N 3.42Å; I546-I565 HydrophobicContact CD1-CB 4.36Å; I546-I565 HydrophobicContact CD1-CG1 3.98Å; I546-I565 HydrophobicContact CD1-CG2 4.27Å; I546-Y568 HydrophobicContact CB-CD1 3.47Å; I546-Y568 VanDerWaalsContact CB-CD1 3.47Å; I546-Y568 HydrophobicContact CB-CD2 4.22Å; I546-Y568 HydrophobicContact CB-CE1 3.53Å; I546-Y568 HydrophobicContact CB-CE2 4.26Å; I546-Y568 HydrophobicContact CB-CG 3.83Å; I546-Y568 HydrophobicContact CD1-CD1 4.46Å; I546-Y568 HydrophobicContact CG2-CD1 3.49Å; I546-Y568 VanDerWaalsContact CG2-CD1 3.49Å; I546-Y568 HydrophobicContact CG2-CE1 3.24Å; I546-Y568 HydrophobicContact CG2-CG 4.36Å
547	G	93.3	Very high	94	Very high	67 Å²	67	70 Å²	70	69%	0.691	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	20.3	179.7	0	0	0	0	0	115.4	L543 E544	L543-G547 PolarHBondContact O-N 2.73Å; L543-G547 VanDerWaalsContact O-N 3.15Å; E544-G547 PolarHBondContact O-N 3.33Å
548	C	94.4	Very high	94	Very high	8 Å²	8	65.5 Å²	65.5	5%	0.054	36%	0.358	C	S	.	.			trans	-99.7	-9.4	-178.6	-67.4	0	0	0	0	113.9	L543 I546 R550 L561 I565	L543-C548 HydrophobicContact CD2-CB 4.38Å; L543-C548 PolarHBondContact O-N 3Å; I546-C548 VanDerWaalsContact C-N 3.31Å; I546-C548 HydrophobicContact CD1-CB 3.85Å; I546-C548 HydrophobicContact CG1-CB 3.8Å; I546-C548 PolarHBondContact O-N 3.42Å; C548-R550 PolarHBondContact O-N 3.34Å; C548-R550 PolarHBondContact O-NE 3.02Å; C548-L561 HydrophobicContact CB-CD1 4.1Å; C548-L561 VanDerWaalsContact O-CD1 3.31Å; C548-L561 WeakPolarHBondContact O-CD1 2.97Å; C548-I565 HydrophobicContact CB-CG1 4.35Å
549	L	93.4	Very high	94	Very high	79 Å²	79	65.5 Å²	65.5	41%	0.414	35%	0.353	S	S	.	.			trans	-56.1	129.7	-179.6	-175.1	65.2	0	0	0	111	V536 L543 E544	V536-L549 HydrophobicContact CG1-CD1 4.2Å; L543-L549 HydrophobicContact CB-CB 4Å; L543-L549 HydrophobicContact CB-CD1 4.15Å; L543-L549 HydrophobicContact CD1-CD1 4.35Å; L543-L549 PolarHBondContact O-N 3.37Å; L543-L549 VanDerWaalsContact O-N 3.09Å; E544-L549 HydrophobicContact CB-CD2 4.18Å
550	R	90.7	Very high	94	Very high	77 Å²	77	68.1 Å²	68.1	29%	0.291	37%	0.369	S	S	.	.			trans	-148.8	158.3	-179.2	68.2	-169.9	57.7	-170	-16.6	112.8	C548 I552 D564	C548-R550 PolarHBondContact O-N 3.34Å; C548-R550 PolarHBondContact O-NE 3.02Å; R550-I552 HydrophobicContact CG-CD1 4.1Å; R550-D564 IonicContact CZ-OD2 2.71Å; R550-D564 IonicContact NH1-OD2 2.75Å; R550-D564 PolarHBondContact NH1-OD2 2.76Å; R550-D564 IonicContact NH2-OD2 2.8Å; R550-D564 PolarHBondContact NH2-OD2 3.19Å
551	L	91.9	Very high	94	Very high	144 Å²	144	66.3 Å²	66.3	75%	0.754	36%	0.356	S	S	*	.			trans	-71.3	128.1	170.4	-174.3	67.9	0	0	0	110.2	T553	L551-T553 HydrophobicContact CD2-CG2 4.03Å; L551-T553 HydrophobicContact CG-CG2 4.14Å
552	I	94.6	Very high	94.1	Very high	7 Å²	7	62.6 Å²	62.6	4%	0.036	33%	0.329	C	S	.	.			trans	-90.8	111.3	175.4	-56	-58.7	0	0	0	109.4	L532 K533 V536 R550 D557	L532-I552 HydrophobicContact CD2-CD1 4.39Å; L532-I552 HydrophobicContact CD2-CG2 3.56Å; L532-I552 HydrophobicContact CG-CD1 4.48Å; L532-I552 HydrophobicContact CG-CG1 4.39Å; L532-I552 HydrophobicContact CG-CG2 3.94Å; K533-I552 WeakPolarHBondContact CE-O 3.25Å; K533-I552 HydrophobicContact CG-CB 3.95Å; K533-I552 HydrophobicContact CG-CG2 4.2Å; V536-I552 HydrophobicContact CB-CG1 4.45Å; V536-I552 HydrophobicContact CG1-CG1 4.42Å; V536-I552 HydrophobicContact CG2-CD1 4.14Å; V536-I552 HydrophobicContact CG2-CG1 4.02Å; R550-I552 HydrophobicContact CG-CD1 4.1Å; I552-D557 HydrophobicContact CD1-CB 3.96Å
553	T	93.4	Very high	94.1	Very high	102 Å²	102	65.8 Å²	65.8	63%	0.626	34%	0.344	S	S	*	.			trans	-107.1	-27.2	-180	63.4	0	0	0	0	112.2	L551 D557	L551-T553 HydrophobicContact CD2-CG2 4.03Å; L551-T553 HydrophobicContact CG-CG2 4.14Å; T553-D557 PolarHBondContact N-OD2 2.78Å; T553-D557 PolarHBondContact OG1-OD2 2.98Å; T553-D557 VanDerWaalsContact OG1-OD2 3.05Å
554	S	95.3	Very high	94.1	Very high	46 Å²	46	68 Å²	68	32%	0.322	36%	0.356	S	S	.	.	S	Bend	trans	-138.2	157.4	-179.5	177.7	0	0	0	0	111.1	N556 D557	S554-N556 PolarHBondContact O-N 3.49Å; S554-N556 PolarHBondContact OG-N 2.98Å; S554-D557 PolarHBondContact N-OD2 3.3Å; S554-D557 WeakPolarHBondContact O-CB 3.44Å; S554-D557 PolarHBondContact O-N 3.12Å
555	L	93.5	Very high	94.1	Very high	50 Å²	50	61.5 Å²	61.5	26%	0.262	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-27.6	173.6	-171.8	62.3	0	0	0	111.9	I529 L532 D557 K558	I529-L555 HydrophobicContact CG1-CB 4.2Å; L532-L555 HydrophobicContact CD2-CD1 4.27Å; L555-D557 PolarHBondContact O-N 3.49Å; L555-K558 HydrophobicContact CD1-CD 4.42Å; L555-K558 VanDerWaalsContact O-CG 3.25Å; L555-K558 WeakPolarHBondContact O-CG 3.5Å; L555-K558 PolarHBondContact O-N 3.47Å
556	N	94.4	Very high	94.2	Very high	106 Å²	106	54.5 Å²	54.5	57%	0.567	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-18.7	178.9	-74.5	-3.4	0	0	0	113.3	S554 K558 Y559	S554-N556 PolarHBondContact O-N 3.49Å; S554-N556 PolarHBondContact OG-N 2.98Å; N556-K558 PolarHBondContact O-N 3.14Å; N556-K558 VanDerWaalsContact O-N 3.08Å; N556-Y559 HydrophobicContact CB-CD2 4.39Å; N556-Y559 WeakPolarHBondContact O-CD2 3.34Å; N556-Y559 PolarHBondContact O-N 2.83Å
557	D	93.3	Very high	94.3	Very high	35 Å²	35	56.9 Å²	56.9	19%	0.187	31%	0.306	C	S	.	.	H	α-helix	trans	-61.1	-22.5	179.9	-63	-18.6	0	0	0	111.9	I552 T553 S554 L555 Y559 T560 L561	I552-D557 HydrophobicContact CD1-CB 3.96Å; T553-D557 PolarHBondContact N-OD2 2.78Å; T553-D557 PolarHBondContact OG1-OD2 2.98Å; T553-D557 VanDerWaalsContact OG1-OD2 3.05Å; S554-D557 PolarHBondContact N-OD2 3.3Å; S554-D557 WeakPolarHBondContact O-CB 3.44Å; S554-D557 PolarHBondContact O-N 3.12Å; L555-D557 PolarHBondContact O-N 3.49Å; D557-Y559 VanDerWaalsContact C-N 3.28Å; D557-Y559 PolarHBondContact O-N 3.04Å; D557-T560 PolarHBondContact O-N 3.15Å; D557-L561 WeakPolarHBondContact O-CB 3.31Å; D557-L561 PolarHBondContact O-N 3.32Å
558	K	94.8	Very high	94.4	Very high	17 Å²	17	56.7 Å²	56.7	7%	0.074	29%	0.285	C	S	.	.	H	α-helix	trans	-59.8	-35.2	175.1	76.6	-174	179	164.9	0	113	I523 N524 A526 L532 L555 N556 L561 V562	I523-K558 HydrophobicContact CG2-CB 3.97Å; N524-K558 PolarHBondContact O-NZ 3.39Å; A526-K558 PolarHBondContact O-NZ 2.88Å; L532-K558 HydrophobicContact CD1-CB 3.76Å; L532-K558 HydrophobicContact CD2-CB 3.79Å; L532-K558 HydrophobicContact CG-CB 4.46Å; L555-K558 HydrophobicContact CD1-CD 4.42Å; L555-K558 VanDerWaalsContact O-CG 3.25Å; L555-K558 WeakPolarHBondContact O-CG 3.5Å; L555-K558 PolarHBondContact O-N 3.47Å; N556-K558 PolarHBondContact O-N 3.14Å; N556-K558 VanDerWaalsContact O-N 3.08Å; K558-L561 PolarHBondContact O-N 2.85Å; K558-V562 WeakPolarHBondContact O-CB 3.4Å; K558-V562 VanDerWaalsContact O-CG2 3.25Å; K558-V562 WeakPolarHBondContact O-CG2 3.22Å; K558-V562 PolarHBondContact O-N 2.76Å
559	Y	94.9	Very high	94.3	Very high	131 Å²	131	56.9 Å²	56.9	51%	0.514	28%	0.284	S	S	.	.	H	α-helix	trans	-69.5	-43.1	-178.2	-62.2	-66.1	0	0	0	111.1	N556 D557 K563	N556-Y559 HydrophobicContact CB-CD2 4.39Å; N556-Y559 WeakPolarHBondContact O-CD2 3.34Å; N556-Y559 PolarHBondContact O-N 2.83Å; D557-Y559 VanDerWaalsContact C-N 3.28Å; D557-Y559 PolarHBondContact O-N 3.04Å; Y559-K563 WeakPolarHBondContact O-CB 3.13Å; Y559-K563 PolarHBondContact O-N 2.77Å
560	T	94	Very high	94.3	Very high	69 Å²	69	53.6 Å²	53.6	42%	0.423	27%	0.268	S	S	.	.	H	α-helix	trans	-66	-43.4	175.2	-40.6	0	0	0	0	110.5	D557 V562 K563 D564	D557-T560 PolarHBondContact O-N 3.15Å; T560-V562 PolarHBondContact O-N 2.77Å; T560-K563 WeakPolarHBondContact O-CB 3.42Å; T560-K563 PolarHBondContact O-N 3.13Å; T560-D564 PolarHBondContact O-N 3.25Å; T560-D564 VanDerWaalsContact O-OD2 3.07Å
561	L	95.5	Very high	94.6	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60.7	-47	177.5	-179.5	58.5	0	0	0	112.2	I523 V536 L543 C548 D557 K558 K563 D564 I565	I523-L561 HydrophobicContact CD1-CD2 3.97Å; I523-L561 HydrophobicContact CD1-CG 4.36Å; I523-L561 HydrophobicContact CG2-CD2 4.12Å; V536-L561 HydrophobicContact CG2-CD2 3.62Å; L543-L561 HydrophobicContact CD1-CD1 4.38Å; L543-L561 HydrophobicContact CD1-CD2 4.27Å; L543-L561 HydrophobicContact CD2-CD1 4.16Å; C548-L561 HydrophobicContact CB-CD1 4.1Å; C548-L561 VanDerWaalsContact O-CD1 3.31Å; C548-L561 WeakPolarHBondContact O-CD1 2.97Å; D557-L561 WeakPolarHBondContact O-CB 3.31Å; D557-L561 PolarHBondContact O-N 3.32Å; K558-L561 PolarHBondContact O-N 2.85Å; L561-K563 VanDerWaalsContact C-N 3.33Å; L561-K563 PolarHBondContact O-N 3.29Å; L561-D564 PolarHBondContact O-N 3.31Å; L561-I565 HydrophobicContact CD1-CD1 4.1Å; L561-I565 HydrophobicContact CD1-CG1 4.28Å; L561-I565 HydrophobicContact CG-CD1 3.92Å; L561-I565 WeakPolarHBondContact O-CD1 3.4Å; L561-I565 VanDerWaalsContact O-CG1 3.24Å; L561-I565 WeakPolarHBondContact O-CG1 3.25Å; L561-I565 PolarHBondContact O-N 3Å
562	V	96.1	Very high	94.7	Very high	16 Å²	16	46.9 Å²	46.9	10%	0.097	24%	0.236	C	C	.	.	H	α-helix	trans	-60.2	-44.4	176.1	165.3	0	0	0	0	111.1	I520 I523 N524 K558 T560 D564 I565 L566	I520-V562 HydrophobicContact CG2-CG1 3.81Å; I520-V562 HydrophobicContact CG2-CG2 4.3Å; I523-V562 HydrophobicContact CB-CG2 4.17Å; I523-V562 HydrophobicContact CG2-CG2 3.67Å; N524-V562 HydrophobicContact CB-CG2 4.33Å; K558-V562 WeakPolarHBondContact O-CB 3.4Å; K558-V562 VanDerWaalsContact O-CG2 3.25Å; K558-V562 WeakPolarHBondContact O-CG2 3.22Å; K558-V562 PolarHBondContact O-N 2.76Å; T560-V562 PolarHBondContact O-N 2.77Å; V562-D564 VanDerWaalsContact C-N 3.31Å; V562-D564 PolarHBondContact O-N 3.15Å; V562-I565 PolarHBondContact O-N 3.39Å; V562-L566 HydrophobicContact CG1-CD1 3.72Å; V562-L566 HydrophobicContact CG1-CG 4.34Å; V562-L566 WeakPolarHBondContact O-CB 3.38Å; V562-L566 VanDerWaalsContact O-CG 3.3Å; V562-L566 WeakPolarHBondContact O-CG 3.32Å; V562-L566 PolarHBondContact O-N 2.76Å
563	K	94.6	Very high	94.6	Very high	118 Å²	118	49.8 Å²	49.8	51%	0.513	25%	0.246	S	C	.	.	H	α-helix	trans	-57.7	-44.6	176.7	-176.7	-176	175.3	-177.3	0	111.5	Y559 T560 L561 L566 F567	Y559-K563 WeakPolarHBondContact O-CB 3.13Å; Y559-K563 PolarHBondContact O-N 2.77Å; T560-K563 WeakPolarHBondContact O-CB 3.42Å; T560-K563 PolarHBondContact O-N 3.13Å; L561-K563 VanDerWaalsContact C-N 3.33Å; L561-K563 PolarHBondContact O-N 3.29Å; K563-L566 PolarHBondContact O-N 2.92Å; K563-F567 WeakPolarHBondContact O-CB 3.44Å; K563-F567 PolarHBondContact O-N 3.48Å
564	D	94.8	Very high	94.7	Very high	47 Å²	47	45.3 Å²	45.3	25%	0.251	22%	0.219	S	C	.	.	H	α-helix	trans	-71.6	-38.3	-176.9	-62.1	-27.3	0	0	0	111.9	R550 T560 L561 V562 F567 Y568	R550-D564 IonicContact CZ-OD2 2.71Å; R550-D564 IonicContact NH1-OD2 2.75Å; R550-D564 PolarHBondContact NH1-OD2 2.76Å; R550-D564 IonicContact NH2-OD2 2.8Å; R550-D564 PolarHBondContact NH2-OD2 3.19Å; T560-D564 PolarHBondContact O-N 3.25Å; T560-D564 VanDerWaalsContact O-OD2 3.07Å; L561-D564 PolarHBondContact O-N 3.31Å; V562-D564 VanDerWaalsContact C-N 3.31Å; V562-D564 PolarHBondContact O-N 3.15Å; D564-F567 PolarHBondContact O-N 3.2Å; D564-Y568 WeakPolarHBondContact O-CB 3.33Å; D564-Y568 PolarHBondContact O-N 3.21Å
565	I	96	Very high	94.7	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.9	-48.6	172.6	-64.1	162.3	0	0	0	110.5	V516 I520 I523 Y542 L543 I546 C548 L561 V562 Y568 H569	V516-I565 HydrophobicContact CG1-CG2 4.3Å; I520-I565 HydrophobicContact CD1-CG2 3.94Å; I520-I565 HydrophobicContact CG1-CB 4.47Å; I520-I565 HydrophobicContact CG1-CG2 3.79Å; I523-I565 HydrophobicContact CD1-CD1 3.58Å; Y542-I565 HydrophobicContact CE1-CG2 4.22Å; L543-I565 HydrophobicContact CD2-CD1 3.58Å; L543-I565 HydrophobicContact CD2-CG1 3.78Å; I546-I565 HydrophobicContact CD1-CB 4.36Å; I546-I565 HydrophobicContact CD1-CG1 3.98Å; I546-I565 HydrophobicContact CD1-CG2 4.27Å; C548-I565 HydrophobicContact CB-CG1 4.35Å; L561-I565 HydrophobicContact CD1-CD1 4.1Å; L561-I565 HydrophobicContact CD1-CG1 4.28Å; L561-I565 HydrophobicContact CG-CD1 3.92Å; L561-I565 WeakPolarHBondContact O-CD1 3.4Å; L561-I565 VanDerWaalsContact O-CG1 3.24Å; L561-I565 WeakPolarHBondContact O-CG1 3.25Å; L561-I565 PolarHBondContact O-N 3Å; V562-I565 PolarHBondContact O-N 3.39Å; I565-Y568 PolarHBondContact O-N 3.11Å; I565-H569 VanDerWaalsContact O-CB 3.32Å; I565-H569 WeakPolarHBondContact O-CB 3.34Å; I565-H569 PolarHBondContact O-N 3.05Å
566	L	95.9	Very high	94.9	Very high	15 Å²	15	50.4 Å²	50.4	8%	0.079	24%	0.239	C	C	.	.	H	α-helix	trans	-60.5	-48.5	179.3	-76.7	169.6	0	0	0	111.2	P506 S507 V511 I520 V562 K563 Y568 H569 V570	P506-L566 HydrophobicContact CG-CB 4.03Å; P506-L566 WeakPolarHBondContact CG-O 3.41Å; S507-L566 WeakPolarHBondContact O-CD2 3.44Å; V511-L566 HydrophobicContact CG2-CD2 3.58Å; I520-L566 HydrophobicContact CD1-CD2 3.73Å; I520-L566 HydrophobicContact CD1-CG 4.15Å; V562-L566 HydrophobicContact CG1-CD1 3.72Å; V562-L566 HydrophobicContact CG1-CG 4.34Å; V562-L566 WeakPolarHBondContact O-CB 3.38Å; V562-L566 VanDerWaalsContact O-CG 3.3Å; V562-L566 WeakPolarHBondContact O-CG 3.32Å; V562-L566 PolarHBondContact O-N 2.76Å; K563-L566 PolarHBondContact O-N 2.92Å; L566-Y568 PolarHBondContact O-N 3.49Å; L566-H569 PolarHBondContact O-N 3.42Å; L566-V570 WeakPolarHBondContact O-CB 3.21Å; L566-V570 WeakPolarHBondContact O-CG2 3.27Å; L566-V570 PolarHBondContact O-N 3.19Å
567	F	95.4	Very high	95.1	Very high	61 Å²	61	45.4 Å²	45.4	27%	0.268	21%	0.212	S	C	.	.	H	α-helix	trans	-59.1	-46.9	178.1	-176	-94.4	0	0	0	111.5	P501 K563 D564 I571 Q572	P501-F567 WeakPolarHBondContact O-CE2 3.44Å; K563-F567 WeakPolarHBondContact O-CB 3.44Å; K563-F567 PolarHBondContact O-N 3.48Å; D564-F567 PolarHBondContact O-N 3.2Å; F567-I571 HydrophobicContact CD2-CD1 4.1Å; F567-I571 HydrophobicContact CE2-CD1 4.23Å; F567-I571 HydrophobicContact CE2-CG2 4.32Å; F567-I571 HydrophobicContact CZ-CG2 4.46Å; F567-I571 WeakPolarHBondContact O-CA 3.44Å; F567-I571 WeakPolarHBondContact O-CB 3.43Å; F567-I571 PolarHBondContact O-N 3.44Å; F567-Q572 HydrophobicContact CE1-CB 4.41Å; F567-Q572 PolarHBondContact O-N 3Å
568	Y	95.1	Very high	95.3	Very high	63 Å²	63	43.9 Å²	43.9	25%	0.247	20%	0.204	C	C	.	.	H	α-helix	trans	-62.8	-53.4	179.5	179.2	-88.1	0	0	0	111.9	I546 D564 I565 L566 V570 Q572 R573	I546-Y568 HydrophobicContact CB-CD1 3.47Å; I546-Y568 VanDerWaalsContact CB-CD1 3.47Å; I546-Y568 HydrophobicContact CB-CD2 4.22Å; I546-Y568 HydrophobicContact CB-CE1 3.53Å; I546-Y568 HydrophobicContact CB-CE2 4.26Å; I546-Y568 HydrophobicContact CB-CG 3.83Å; I546-Y568 HydrophobicContact CD1-CD1 4.46Å; I546-Y568 HydrophobicContact CG2-CD1 3.49Å; I546-Y568 VanDerWaalsContact CG2-CD1 3.49Å; I546-Y568 HydrophobicContact CG2-CE1 3.24Å; I546-Y568 HydrophobicContact CG2-CG 4.36Å; D564-Y568 WeakPolarHBondContact O-CB 3.33Å; D564-Y568 PolarHBondContact O-N 3.21Å; I565-Y568 PolarHBondContact O-N 3.11Å; L566-Y568 PolarHBondContact O-N 3.49Å; Y568-V570 PolarHBondContact O-N 2.82Å; Y568-Q572 HydrophobicContact CD2-CB 3.97Å; Y568-Q572 HydrophobicContact CD2-CG 3.95Å; Y568-Q572 HydrophobicContact CE2-CG 4.31Å; Y568-Q572 HydrophobicContact CG-CB 4.38Å; Y568-Q572 WeakPolarHBondContact O-CB 3.3Å; Y568-Q572 PolarHBondContact O-N 3.33Å; Y568-R573 WeakPolarHBondContact O-CB 3.3Å; Y568-R573 PolarHBondContact O-N 3.37Å
569	H	93.2	Very high	95.4	Very high	11 Å²	11	46.9 Å²	46.9	5%	0.051	22%	0.218	C	C	.	.	H	α-helix	trans	-68.7	-39.5	-169.2	-168.3	80.5	0	0	0	112.5	V516 Y542 I565 L566 R573	V516-H569 HydrophobicContact CG1-CB 4.5Å; Y542-H569 PolarHBondContact OH-ND1 3.17Å; I565-H569 VanDerWaalsContact O-CB 3.32Å; I565-H569 WeakPolarHBondContact O-CB 3.34Å; I565-H569 PolarHBondContact O-N 3.05Å; L566-H569 PolarHBondContact O-N 3.42Å; H569-R573 PolarHBondContact CE1-NH1 2.73Å; H569-R573 PolarHBondContact NE2-NH1 3.21Å; H569-R573 PolarHBondContact O-NE 3.01Å
570	V	93.8	Very high	95.6	Very high	10 Å²	10	41.8 Å²	41.8	6%	0.061	20%	0.202	C	C	.	.	H	α-helix	trans	-89.8	-35.8	-174.9	-176.8	0	0	0	0	112.2	T492 P506 D510 V511 L566 Y568 V574	T492-V570 HydrophobicContact CG2-CG1 3.78Å; P506-V570 HydrophobicContact CB-CB 3.79Å; P506-V570 HydrophobicContact CB-CG1 3.85Å; P506-V570 HydrophobicContact CB-CG2 4.04Å; P506-V570 HydrophobicContact CG-CB 4.2Å; D510-V570 HydrophobicContact CB-CG1 3.79Å; D510-V570 HydrophobicContact CB-CG2 3.99Å; V511-V570 HydrophobicContact CG2-CG2 3.95Å; L566-V570 WeakPolarHBondContact O-CB 3.21Å; L566-V570 WeakPolarHBondContact O-CG2 3.27Å; L566-V570 PolarHBondContact O-N 3.19Å; Y568-V570 PolarHBondContact O-N 2.82Å; V570-V574 WeakPolarHBondContact O-CG2 3.42Å
571	I	95.3	Very high	95.8	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.015	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-59.9	-171.9	-59.1	178.4	0	0	0	111.5	T492 P501 T504 P506 F567 R573 V574 Q575	T492-I571 HydrophobicContact CG2-CD1 4.26Å; T492-I571 HydrophobicContact CG2-CG1 4.16Å; P501-I571 HydrophobicContact CB-CG2 3.4Å; T504-I571 HydrophobicContact CG2-CD1 3.85Å; P506-I571 HydrophobicContact CB-CD1 4.49Å; P506-I571 HydrophobicContact CG-CD1 3.88Å; P506-I571 HydrophobicContact CG-CG1 4.19Å; F567-I571 HydrophobicContact CD2-CD1 4.1Å; F567-I571 HydrophobicContact CE2-CD1 4.23Å; F567-I571 HydrophobicContact CE2-CG2 4.32Å; F567-I571 HydrophobicContact CZ-CG2 4.46Å; F567-I571 WeakPolarHBondContact O-CA 3.44Å; F567-I571 WeakPolarHBondContact O-CB 3.43Å; F567-I571 PolarHBondContact O-N 3.44Å; I571-R573 VanDerWaalsContact C-N 3.33Å; I571-R573 PolarHBondContact O-N 3.49Å; I571-V574 CarbonylContact O-C 3.47Å; I571-V574 VanDerWaalsContact O-CG2 3.3Å; I571-V574 WeakPolarHBondContact O-CG2 3.31Å; I571-V574 PolarHBondContact O-N 2.76Å; I571-V574 VanDerWaalsContact O-N 3.11Å; I571-Q575 PolarHBondContact O-N 3.29Å
572	Q	94.8	Very high	95.9	Very high	78 Å²	78	39.8 Å²	39.8	36%	0.364	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-60.5	-42.1	-171.7	-168.3	64	22.6	0	0	112.3	F567 Y568 V574 Q575	F567-Q572 HydrophobicContact CE1-CB 4.41Å; F567-Q572 PolarHBondContact O-N 3Å; Y568-Q572 HydrophobicContact CD2-CB 3.97Å; Y568-Q572 HydrophobicContact CD2-CG 3.95Å; Y568-Q572 HydrophobicContact CE2-CG 4.31Å; Y568-Q572 HydrophobicContact CG-CB 4.38Å; Y568-Q572 WeakPolarHBondContact O-CB 3.3Å; Y568-Q572 PolarHBondContact O-N 3.33Å; Q572-V574 PolarHBondContact O-N 3.07Å; Q572-Q575 VanDerWaalsContact O-CB 3.31Å; Q572-Q575 WeakPolarHBondContact O-CB 3.38Å; Q572-Q575 PolarHBondContact O-N 3.15Å
573	R	93.7	Very high	96	Very high	67 Å²	67	43.5 Å²	43.5	25%	0.253	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-56.8	-33.6	178.8	-178.9	-178.1	68.3	169.8	3.6	112.8	E449 L458 Y568 H569 I571	E449-R573 IonicContact OE1-NH2 3.73Å; E449-R573 PolarHBondContact OE1-NH2 2.9Å; E449-R573 VanDerWaalsContact OE1-NH2 3.14Å; L458-R573 HydrophobicContact CB-CG 4.41Å; L458-R573 HydrophobicContact CD2-CG 3.77Å; Y568-R573 WeakPolarHBondContact O-CB 3.3Å; Y568-R573 PolarHBondContact O-N 3.37Å; H569-R573 PolarHBondContact CE1-NH1 2.73Å; H569-R573 PolarHBondContact NE2-NH1 3.21Å; H569-R573 PolarHBondContact O-NE 3.01Å; I571-R573 VanDerWaalsContact C-N 3.33Å; I571-R573 PolarHBondContact O-N 3.49Å
574	V	95.3	Very high	96.2	Very high	8 Å²	8	37.9 Å²	37.9	5%	0.048	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-105.5	16.8	-175.4	-61.1	0	0	0	0	112.6	L458 V570 I571 Q572 I576 P577 L578	L458-V574 HydrophobicContact CB-CG1 4.12Å; V570-V574 WeakPolarHBondContact O-CG2 3.42Å; I571-V574 CarbonylContact O-C 3.47Å; I571-V574 VanDerWaalsContact O-CG2 3.3Å; I571-V574 WeakPolarHBondContact O-CG2 3.31Å; I571-V574 PolarHBondContact O-N 2.76Å; I571-V574 VanDerWaalsContact O-N 3.11Å; Q572-V574 PolarHBondContact O-N 3.07Å; V574-I576 VanDerWaalsContact C-N 3.33Å; V574-I576 PolarHBondContact O-N 3.38Å; V574-P577 HydrophobicContact CB-CG 4.41Å; V574-P577 VanDerWaalsContact O-CD 3.25Å; V574-P577 WeakPolarHBondContact O-CD 3.12Å; V574-L578 VanDerWaalsContact O-CB 3.29Å; V574-L578 WeakPolarHBondContact O-CB 3.26Å; V574-L578 PolarHBondContact O-N 3.39Å
575	Q	95.4	Very high	96.3	Very high	81 Å²	81	35.7 Å²	35.7	38%	0.379	17%	0.167	S	C	.	.	H	α-helix	trans	-57.6	-42.4	-178.3	-172.1	175.4	19.1	0	0	112.6	I571 Q572 L578 E579	I571-Q575 PolarHBondContact O-N 3.29Å; Q572-Q575 VanDerWaalsContact O-CB 3.31Å; Q572-Q575 WeakPolarHBondContact O-CB 3.38Å; Q572-Q575 PolarHBondContact O-N 3.15Å; Q575-L578 PolarHBondContact O-N 3.39Å; Q575-E579 WeakPolarHBondContact O-CG 3.3Å; Q575-E579 PolarHBondContact O-N 3.4Å
576	I	96.7	Very high	96.4	Very high	123 Å²	123	39.9 Å²	39.9	63%	0.631	19%	0.185	S	C	*	.	H	α-helix	trans	-67	-50.4	178.7	-56.5	173.6	0	0	0	111.4	L463 V574 L578 E579 S580	L463-I576 HydrophobicContact CD1-CG2 4.42Å; L463-I576 HydrophobicContact CD2-CB 4.48Å; L463-I576 HydrophobicContact CD2-CG2 3.74Å; V574-I576 VanDerWaalsContact C-N 3.33Å; V574-I576 PolarHBondContact O-N 3.38Å; I576-L578 VanDerWaalsContact C-N 3.3Å; I576-L578 PolarHBondContact O-N 2.99Å; I576-E579 PolarHBondContact O-N 3.37Å; I576-S580 PolarHBondContact O-N 3.15Å; I576-S580 VanDerWaalsContact O-N 3.09Å
577	P	98.2	Very high	96.5	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-51.3	-45.5	169.1	-30.1	33.5	0	0	0	114.1	L458 L463 Y468 V574 S580 F581	L458-P577 HydrophobicContact CD1-CG 3.8Å; L463-P577 HydrophobicContact CD1-CG 4.27Å; L463-P577 HydrophobicContact CD2-CG 4.09Å; L463-P577 HydrophobicContact CG-CG 4.35Å; Y468-P577 HydrophobicContact CD1-CB 3.89Å; Y468-P577 HydrophobicContact CD2-CB 4.06Å; Y468-P577 HydrophobicContact CE1-CB 3.78Å; Y468-P577 HydrophobicContact CE2-CB 3.96Å; Y468-P577 HydrophobicContact CE2-CG 4.11Å; Y468-P577 HydrophobicContact CG-CB 4.02Å; V574-P577 HydrophobicContact CB-CG 4.41Å; V574-P577 VanDerWaalsContact O-CD 3.25Å; V574-P577 WeakPolarHBondContact O-CD 3.12Å; P577-S580 PolarHBondContact O-N 3.46Å; P577-F581 WeakPolarHBondContact O-CB 3.31Å; P577-F581 PolarHBondContact O-N 2.88Å
578	L	98.1	Very high	96.5	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-61.6	-46.4	-178.8	177.3	64.5	0	0	0	111.9	L456 L493 C496 L497 P501 V574 Q575 I576 F581 K582	L456-L578 HydrophobicContact CD1-CB 4.08Å; L456-L578 HydrophobicContact CD1-CD1 4Å; L493-L578 HydrophobicContact CD1-CD1 3.96Å; C496-L578 HydrophobicContact CB-CD1 4.21Å; C496-L578 HydrophobicContact CB-CD2 3.87Å; L497-L578 HydrophobicContact CD2-CD1 3.93Å; P501-L578 HydrophobicContact CB-CD2 4.34Å; V574-L578 VanDerWaalsContact O-CB 3.29Å; V574-L578 WeakPolarHBondContact O-CB 3.26Å; V574-L578 PolarHBondContact O-N 3.39Å; Q575-L578 PolarHBondContact O-N 3.39Å; I576-L578 VanDerWaalsContact C-N 3.3Å; I576-L578 PolarHBondContact O-N 2.99Å; L578-F581 PolarHBondContact O-N 3.05Å; L578-K582 HydrophobicContact CD1-CD 4.23Å; L578-K582 HydrophobicContact CD1-CG 4.4Å; L578-K582 HydrophobicContact CG-CD 4.03Å; L578-K582 WeakPolarHBondContact O-CB 3.36Å; L578-K582 VanDerWaalsContact O-CG 3.32Å; L578-K582 WeakPolarHBondContact O-CG 3.4Å; L578-K582 PolarHBondContact O-N 2.89Å
579	E	97.5	Very high	96.5	Very high	80 Å²	80	35.8 Å²	35.8	37%	0.374	18%	0.177	S	C	.	.	H	α-helix	trans	-67.8	-38.4	178.8	-70.3	-53.5	136.7	0	0	112.4	Q575 I576 K582 Q583	Q575-E579 WeakPolarHBondContact O-CG 3.3Å; Q575-E579 PolarHBondContact O-N 3.4Å; I576-E579 PolarHBondContact O-N 3.37Å; E579-K582 PolarHBondContact O-N 3.2Å; E579-K582 IonicContact OE1-NZ 3.54Å; E579-K582 PolarHBondContact OE1-NZ 3.09Å; E579-K582 IonicContact OE2-NZ 2.71Å; E579-K582 PolarHBondContact OE2-NZ 3.38Å; E579-Q583 WeakPolarHBondContact O-CB 3.08Å; E579-Q583 PolarHBondContact O-N 3.26Å
580	S	97.8	Very high	96.7	Very high	23 Å²	23	35.2 Å²	35.2	16%	0.161	17%	0.174	C	C	.	.	H	α-helix	trans	-60.6	-46.1	172.7	-179.2	0	0	0	0	111.1	N466 Y469 I576 P577 Q583 G584	N466-S580 PolarHBondContact OD1-OG 3.31Å; Y469-S580 VanDerWaalsContact CA-O 3.3Å; Y469-S580 WeakPolarHBondContact CA-O 3.43Å; Y469-S580 WeakPolarHBondContact CB-OG 3.38Å; Y469-S580 PolarHBondContact N-OG 3.26Å; I576-S580 PolarHBondContact O-N 3.15Å; I576-S580 VanDerWaalsContact O-N 3.09Å; P577-S580 PolarHBondContact O-N 3.46Å; S580-Q583 PolarHBondContact O-N 3.15Å; S580-G584 PolarHBondContact O-N 3.02Å; S580-G584 VanDerWaalsContact O-N 3.08Å
581	F	98.6	Very high	96.9	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.1	-45	177.1	-173.3	-101.1	0	0	0	112.7	F448 L456 Y468 A471 G472 V475 F489 L497 P577 L578 Q583 G584 L585	F448-F581 HydrophobicContact CE1-CZ 4.49Å; F448-F581 AromaticContact CZ-CE2 3.79Å; F448-F581 HydrophobicContact CZ-CE2 3.79Å; F448-F581 HydrophobicContact CZ-CZ 4.07Å; L456-F581 HydrophobicContact CD1-CB 4.09Å; L456-F581 HydrophobicContact CD1-CD1 4.48Å; L456-F581 HydrophobicContact CD1-CG 4.35Å; L456-F581 HydrophobicContact CD2-CD2 4.39Å; L456-F581 HydrophobicContact CD2-CG 4.38Å; Y468-F581 WeakPolarHBondContact O-CA 3.37Å; Y468-F581 VanDerWaalsContact O-CD2 3.31Å; Y468-F581 WeakPolarHBondContact O-CD2 3.26Å; A471-F581 HydrophobicContact CB-CD2 4.09Å; A471-F581 HydrophobicContact CB-CE2 3.93Å; G472-F581 VanDerWaalsContact CA-CE2 3.47Å; G472-F581 VanDerWaalsContact N-CE2 3.32Å; V475-F581 HydrophobicContact CG2-CZ 4.43Å; F489-F581 HydrophobicContact CE1-CZ 4.46Å; F489-F581 HydrophobicContact CE2-CE1 4.28Å; F489-F581 HydrophobicContact CE2-CZ 4.32Å; F489-F581 HydrophobicContact CZ-CE1 4.11Å; F489-F581 AromaticContact CZ-CZ 3.72Å; F489-F581 HydrophobicContact CZ-CZ 3.72Å; L497-F581 HydrophobicContact CD1-CE1 4.19Å; L497-F581 HydrophobicContact CD2-CD1 4.13Å; L497-F581 HydrophobicContact CD2-CE1 4.45Å; P577-F581 WeakPolarHBondContact O-CB 3.31Å; P577-F581 PolarHBondContact O-N 2.88Å; L578-F581 PolarHBondContact O-N 3.05Å; F581-Q583 VanDerWaalsContact C-N 3.3Å; F581-Q583 PolarHBondContact O-N 3.25Å; F581-G584 WeakPolarHBondContact O-CA 3.43Å; F581-G584 PolarHBondContact O-N 3.15Å; F581-G584 VanDerWaalsContact O-N 3.11Å; F581-L585 HydrophobicContact CD1-CD1 3.77Å; F581-L585 HydrophobicContact CD1-CG 4.32Å; F581-L585 HydrophobicContact CE1-CD1 3.36Å; F581-L585 HydrophobicContact CE1-CG 3.95Å; F581-L585 HydrophobicContact CZ-CD1 4.11Å; F581-L585 HydrophobicContact CZ-CG 4.3Å; F581-L585 PolarHBondContact O-N 3.47Å
582	K	98.4	Very high	97	Very high	27 Å²	27	38.7 Å²	38.7	12%	0.117	19%	0.19	C	C	.	.	H	α-helix	trans	-56.5	-44.4	173.2	-78.4	168.3	65.8	-174.6	0	111.3	L497 L578 E579 G584 L585 K586 L591	L497-K582 HydrophobicContact CD2-CD 4.23Å; L497-K582 HydrophobicContact CD2-CG 3.45Å; L497-K582 VanDerWaalsContact CD2-CG 3.45Å; L578-K582 HydrophobicContact CD1-CD 4.23Å; L578-K582 HydrophobicContact CD1-CG 4.4Å; L578-K582 HydrophobicContact CG-CD 4.03Å; L578-K582 WeakPolarHBondContact O-CB 3.36Å; L578-K582 VanDerWaalsContact O-CG 3.32Å; L578-K582 WeakPolarHBondContact O-CG 3.4Å; L578-K582 PolarHBondContact O-N 2.89Å; E579-K582 PolarHBondContact O-N 3.2Å; E579-K582 IonicContact OE1-NZ 3.54Å; E579-K582 PolarHBondContact OE1-NZ 3.09Å; E579-K582 IonicContact OE2-NZ 2.71Å; E579-K582 PolarHBondContact OE2-NZ 3.38Å; K582-G584 VanDerWaalsContact C-N 3.27Å; K582-G584 PolarHBondContact O-N 3.46Å; K582-L585 PolarHBondContact O-N 3.37Å; K582-L585 VanDerWaalsContact O-N 3.14Å; K582-K586 PolarHBondContact O-N 3.21Å; K582-K586 VanDerWaalsContact O-N 3.09Å; K582-L591 HydrophobicContact CB-CD2 3.97Å; K582-L591 HydrophobicContact CG-CD2 4.33Å
583	Q	97.8	Very high	96.9	Very high	95 Å²	95	37.3 Å²	37.3	44%	0.444	18%	0.182	S	C	.	.	H	α-helix	trans	-63.4	-35.3	178.4	-171.5	56.8	32.6	0	0	112.1	Y469 E579 S580 F581	Y469-Q583 HydrophobicContact CD2-CB 4.13Å; Y469-Q583 HydrophobicContact CD2-CG 4.06Å; Y469-Q583 HydrophobicContact CE2-CG 4.03Å; E579-Q583 WeakPolarHBondContact O-CB 3.08Å; E579-Q583 PolarHBondContact O-N 3.26Å; S580-Q583 PolarHBondContact O-N 3.15Å; F581-Q583 VanDerWaalsContact C-N 3.3Å; F581-Q583 PolarHBondContact O-N 3.25Å
584	G	97.8	Very high	97	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.8	-47.3	170.2	0	0	0	0	0	112.6	Y469 K473 S580 F581 K582 K586 T587	Y469-G584 VanDerWaalsContact O-CA 3.26Å; Y469-G584 WeakPolarHBondContact O-CA 3.37Å; K473-G584 WeakPolarHBondContact CA-O 3.14Å; K473-G584 PolarHBondContact N-O 3.23Å; S580-G584 PolarHBondContact O-N 3.02Å; S580-G584 VanDerWaalsContact O-N 3.08Å; F581-G584 WeakPolarHBondContact O-CA 3.43Å; F581-G584 PolarHBondContact O-N 3.15Å; F581-G584 VanDerWaalsContact O-N 3.11Å; K582-G584 VanDerWaalsContact C-N 3.27Å; K582-G584 PolarHBondContact O-N 3.46Å; G584-K586 VanDerWaalsContact C-N 3.25Å; G584-K586 PolarHBondContact O-N 2.82Å; G584-T587 WeakPolarHBondContact O-CB 3.32Å; G584-T587 PolarHBondContact O-N 2.95Å; G584-T587 PolarHBondContact O-OG1 2.69Å
585	L	98.3	Very high	96.9	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-64.2	-21.9	-179.8	-82.4	175.7	0	0	0	114.5	G472 V475 L497 F581 K582 T587 V590 L591 I594	G472-L585 WeakPolarHBondContact O-CD2 3.43Å; V475-L585 HydrophobicContact CB-CD2 3.95Å; V475-L585 HydrophobicContact CG1-CD2 3.79Å; L497-L585 HydrophobicContact CD1-CD1 3.96Å; L497-L585 HydrophobicContact CD2-CD1 3.98Å; F581-L585 HydrophobicContact CD1-CD1 3.77Å; F581-L585 HydrophobicContact CD1-CG 4.32Å; F581-L585 HydrophobicContact CE1-CD1 3.36Å; F581-L585 HydrophobicContact CE1-CG 3.95Å; F581-L585 HydrophobicContact CZ-CD1 4.11Å; F581-L585 HydrophobicContact CZ-CG 4.3Å; F581-L585 PolarHBondContact O-N 3.47Å; K582-L585 PolarHBondContact O-N 3.37Å; K582-L585 VanDerWaalsContact O-N 3.14Å; L585-T587 PolarHBondContact O-N 3.16Å; L585-V590 HydrophobicContact CD2-CG1 4.4Å; L585-V590 WeakPolarHBondContact O-CB 3.16Å; L585-L591 HydrophobicContact CB-CB 4.07Å; L585-L591 PolarHBondContact O-N 3.17Å; L585-I594 HydrophobicContact CD1-CD1 4.44Å
586	K	97.6	Very high	96.6	Very high	88 Å²	88	38.1 Å²	38.1	38%	0.383	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-15.9	170.8	-69.6	-179	-173.4	165.5	0	113	K582 G584 L588 G589 L591	K582-K586 PolarHBondContact O-N 3.21Å; K582-K586 VanDerWaalsContact O-N 3.09Å; G584-K586 VanDerWaalsContact C-N 3.25Å; G584-K586 PolarHBondContact O-N 2.82Å; K586-L588 PolarHBondContact O-N 2.81Å; K586-G589 PolarHBondContact O-N 2.84Å; K586-L591 HydrophobicContact CD-CD2 4.48Å; K586-L591 HydrophobicContact CG-CB 4.01Å; K586-L591 HydrophobicContact CG-CD2 3.71Å; K586-L591 HydrophobicContact CG-CG 4.48Å
587	T	97.1	Very high	96.2	Very high	17 Å²	17	34.9 Å²	34.9	10%	0.104	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-51.6	129.6	173.3	-63.5	0	0	0	0	109.6	P408 K473 A476 I477 G584 L585 G589 V590	P408-T587 HydrophobicContact CB-CG2 3.67Å; P408-T587 HydrophobicContact CG-CG2 3.83Å; K473-T587 HydrophobicContact CG-CG2 4.04Å; A476-T587 HydrophobicContact CB-CG2 4.44Å; A476-T587 WeakPolarHBondContact CB-O 3.29Å; I477-T587 HydrophobicContact CG1-CG2 4.26Å; G584-T587 WeakPolarHBondContact O-CB 3.32Å; G584-T587 PolarHBondContact O-N 2.95Å; G584-T587 PolarHBondContact O-OG1 2.69Å; L585-T587 PolarHBondContact O-N 3.16Å; T587-G589 PolarHBondContact O-N 2.84Å; T587-G589 VanDerWaalsContact O-N 3.08Å; T587-V590 PolarHBondContact O-N 3.1Å
588	L	96.3	Very high	95.9	Very high	13 Å²	13	35.7 Å²	35.7	7%	0.068	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	59.9	17.4	179.5	-61.9	173.8	0	0	0	114.4	L375 Q378 I379 P408 S409 I477 V480 K586	L375-L588 WeakPolarHBondContact CD2-O 3.4Å; Q378-L588 HydrophobicContact CG-CD2 3.84Å; Q378-L588 PolarHBondContact NE2-O 3.14Å; I379-L588 HydrophobicContact CD1-CD1 4.33Å; I379-L588 HydrophobicContact CD1-CD2 4.33Å; P408-L588 HydrophobicContact CB-CD1 4.24Å; P408-L588 HydrophobicContact CB-CD2 4.3Å; P408-L588 HydrophobicContact CB-CG 4.17Å; S409-L588 WeakPolarHBondContact OG-CD2 3.35Å; I477-L588 HydrophobicContact CG1-CD1 4.36Å; V480-L588 HydrophobicContact CB-CB 4.34Å; V480-L588 HydrophobicContact CB-CD1 3.76Å; V480-L588 HydrophobicContact CG1-CB 4.33Å; V480-L588 HydrophobicContact CG1-CD1 3.85Å; V480-L588 HydrophobicContact CG2-CB 3.91Å; V480-L588 HydrophobicContact CG2-CD1 4.2Å; K586-L588 PolarHBondContact O-N 2.81Å
589	G	95.7	Very high	95.5	Very high	23 Å²	23	39.7 Å²	39.7	24%	0.237	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	77.2	18.1	174.4	0	0	0	0	0	115.2	K586 T587 E592 K593	K586-G589 PolarHBondContact O-N 2.84Å; T587-G589 PolarHBondContact O-N 2.84Å; T587-G589 VanDerWaalsContact O-N 3.08Å; G589-E592 WeakPolarHBondContact CA-OE2 3.45Å; G589-K593 WeakPolarHBondContact O-CG 3.49Å; G589-K593 PolarHBondContact O-N 3.28Å
590	V	97.4	Very high	95.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-71.2	-44.2	-172.8	170.5	0	0	0	0	111.8	L375 A476 L479 V480 L585 T587 E592 K593 I594 F601	L375-V590 HydrophobicContact CD1-CG2 3.85Å; A476-V590 HydrophobicContact CB-CB 3.96Å; A476-V590 HydrophobicContact CB-CG1 4.47Å; A476-V590 HydrophobicContact CB-CG2 3.8Å; L479-V590 HydrophobicContact CD1-CG1 3.92Å; V480-V590 HydrophobicContact CG2-CG2 3.51Å; L585-V590 HydrophobicContact CD2-CG1 4.4Å; L585-V590 WeakPolarHBondContact O-CB 3.16Å; T587-V590 PolarHBondContact O-N 3.1Å; V590-E592 VanDerWaalsContact C-N 3.31Å; V590-E592 PolarHBondContact O-N 2.77Å; V590-K593 PolarHBondContact O-N 2.93Å; V590-K593 VanDerWaalsContact O-N 3.14Å; V590-I594 HydrophobicContact CG1-CD1 3.9Å; V590-I594 HydrophobicContact CG1-CG1 4.33Å; V590-I594 WeakPolarHBondContact O-CG1 3.4Å; V590-I594 PolarHBondContact O-N 3.19Å; V590-F601 HydrophobicContact CG1-CE1 4.42Å
591	L	97.5	Very high	95	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-58.6	-43.6	179	-177.7	63.1	0	0	0	111.8	K582 L585 K586 K593 I594 Q595	K582-L591 HydrophobicContact CB-CD2 3.97Å; K582-L591 HydrophobicContact CG-CD2 4.33Å; L585-L591 HydrophobicContact CB-CB 4.07Å; L585-L591 PolarHBondContact O-N 3.17Å; K586-L591 HydrophobicContact CD-CD2 4.48Å; K586-L591 HydrophobicContact CG-CB 4.01Å; K586-L591 HydrophobicContact CG-CD2 3.71Å; K586-L591 HydrophobicContact CG-CG 4.48Å; L591-K593 VanDerWaalsContact C-N 3.27Å; L591-K593 PolarHBondContact O-N 3.37Å; L591-I594 WeakPolarHBondContact O-CB 3.49Å; L591-I594 PolarHBondContact O-N 3.4Å; L591-I594 VanDerWaalsContact O-N 3.13Å; L591-Q595 WeakPolarHBondContact O-CG 3.25Å; L591-Q595 PolarHBondContact O-N 3.13Å
592	E	96.4	Very high	94.8	Very high	81 Å²	81	37.8 Å²	37.8	38%	0.379	19%	0.186	S	C	.	.	H	α-helix	trans	-60.5	-39.5	178.7	-64.5	77.8	-176.2	0	0	110.7	G589 V590 Q595 T596	G589-E592 WeakPolarHBondContact CA-OE2 3.45Å; V590-E592 VanDerWaalsContact C-N 3.31Å; V590-E592 PolarHBondContact O-N 2.77Å; E592-Q595 PolarHBondContact O-N 2.65Å; E592-T596 WeakPolarHBondContact O-CB 3.41Å; E592-T596 PolarHBondContact O-N 3.24Å; E592-T596 PolarHBondContact O-OG1 3.19Å
593	K	93.5	Very high	94.4	Very high	49 Å²	49	39.3 Å²	39.3	21%	0.213	20%	0.196	C	C	.	.	H	α-helix	trans	-72.6	-33	175.5	-67.2	-64.5	-176.1	167.8	0	113.1	I371 E374 L375 G589 V590 L591 Q595 T596 Y597 F601	I371-K593 HydrophobicContact CG2-CB 4.01Å; I371-K593 HydrophobicContact CG2-CD 3.99Å; I371-K593 HydrophobicContact CG2-CG 4.01Å; E374-K593 IonicContact OE2-NZ 3.09Å; L375-K593 HydrophobicContact CD1-CB 4.44Å; L375-K593 HydrophobicContact CD1-CG 4.02Å; L375-K593 HydrophobicContact CD2-CG 3.87Å; L375-K593 HydrophobicContact CG-CG 4.18Å; G589-K593 WeakPolarHBondContact O-CG 3.49Å; G589-K593 PolarHBondContact O-N 3.28Å; V590-K593 PolarHBondContact O-N 2.93Å; V590-K593 VanDerWaalsContact O-N 3.14Å; L591-K593 VanDerWaalsContact C-N 3.27Å; L591-K593 PolarHBondContact O-N 3.37Å; K593-Q595 VanDerWaalsContact C-N 3.33Å; K593-T596 PolarHBondContact O-N 3.37Å; K593-Y597 HydrophobicContact CD-CD2 4.23Å; K593-Y597 HydrophobicContact CD-CE2 4Å; K593-Y597 PolarHBondContact O-N 3.37Å; K593-F601 HydrophobicContact CB-CE2 3.8Å; K593-F601 HydrophobicContact CB-CZ 3.83Å; K593-F601 WeakPolarHBondContact O-CE2 3.25Å
594	I	95.1	Very high	94.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.8	-47	170.8	-69	166.2	0	0	0	109.7	F494 A498 L585 V590 L591 Y597 P598 F601 L605	F494-I594 HydrophobicContact CE2-CG2 4.16Å; F494-I594 HydrophobicContact CZ-CG2 4.32Å; A498-I594 HydrophobicContact CB-CG2 4.36Å; L585-I594 HydrophobicContact CD1-CD1 4.44Å; V590-I594 HydrophobicContact CG1-CD1 3.9Å; V590-I594 HydrophobicContact CG1-CG1 4.33Å; V590-I594 WeakPolarHBondContact O-CG1 3.4Å; V590-I594 PolarHBondContact O-N 3.19Å; L591-I594 WeakPolarHBondContact O-CB 3.49Å; L591-I594 PolarHBondContact O-N 3.4Å; L591-I594 VanDerWaalsContact O-N 3.13Å; I594-Y597 CarbonylContact O-C 3.57Å; I594-Y597 PolarHBondContact O-N 3.46Å; I594-P598 WeakPolarHBondContact O-CA 3.46Å; I594-P598 WeakPolarHBondContact O-CD 3.34Å; I594-F601 HydrophobicContact CB-CG 4.33Å; I594-F601 HydrophobicContact CD1-CD1 4.38Å; I594-F601 HydrophobicContact CG1-CB 4.07Å; I594-F601 HydrophobicContact CG1-CD1 3.49Å; I594-F601 VanDerWaalsContact CG1-CD1 3.49Å; I594-F601 HydrophobicContact CG1-CD2 4.19Å; I594-F601 HydrophobicContact CG1-CE1 3.89Å; I594-F601 HydrophobicContact CG1-CG 3.65Å; I594-F601 HydrophobicContact CG1-CZ 4.4Å; I594-F601 HydrophobicContact CG2-CB 4.5Å; I594-L605 HydrophobicContact CD1-CD1 3.8Å; I594-L605 HydrophobicContact CG1-CD1 4.22Å
595	Q	93.2	Very high	94.1	Very high	90 Å²	90	35.7 Å²	35.7	42%	0.421	18%	0.179	S	C	.	.	H	α-helix	trans	-69.6	-35.1	-179.6	-67.4	175.5	-25.9	0	0	112.5	L497 L591 E592 K593	L497-Q595 WeakPolarHBondContact O-CG 3.29Å; L497-Q595 PolarHBondContact O-NE2 3.04Å; L591-Q595 WeakPolarHBondContact O-CG 3.25Å; L591-Q595 PolarHBondContact O-N 3.13Å; E592-Q595 PolarHBondContact O-N 2.65Å; K593-Q595 VanDerWaalsContact C-N 3.33Å
596	T	89.9	Confident	93.9	Very high	83 Å²	83	36.3 Å²	36.3	51%	0.509	18%	0.184	S	C	.	.	H	α-helix	trans	-73.5	-35.7	177.5	-50.7	0	0	0	0	112.1	E592 K593	E592-T596 WeakPolarHBondContact O-CB 3.41Å; E592-T596 PolarHBondContact O-N 3.24Å; E592-T596 PolarHBondContact O-OG1 3.19Å; K593-T596 PolarHBondContact O-N 3.37Å
597	Y	88.8	Confident	93.5	Very high	55 Å²	55	39 Å²	39	22%	0.216	19%	0.191	C	C	.	.	S	Bend	trans	-132.7	58.7	-174.4	-51.9	-66.6	0	0	0	112.8	R366 I371 K593 I594 E599 V600 F601	R366-Y597 HydrophobicContact CG-CE1 4.23Å; R366-Y597 PolarHBondContact NE-OH 3.4Å; R366-Y597 PolarHBondContact NH1-OH 3.28Å; R366-Y597 VanDerWaalsContact NH1-OH 3.14Å; R366-Y597 PolarHBondContact NH2-OH 3.26Å; I371-Y597 HydrophobicContact CD1-CD2 3.62Å; I371-Y597 HydrophobicContact CD1-CE2 4.33Å; I371-Y597 HydrophobicContact CD1-CG 3.82Å; I371-Y597 HydrophobicContact CG1-CD2 4.19Å; I371-Y597 HydrophobicContact CG1-CE2 4.48Å; K593-Y597 HydrophobicContact CD-CD2 4.23Å; K593-Y597 HydrophobicContact CD-CE2 4Å; K593-Y597 PolarHBondContact O-N 3.37Å; I594-Y597 CarbonylContact O-C 3.57Å; I594-Y597 PolarHBondContact O-N 3.46Å; Y597-E599 VanDerWaalsContact C-N 3.32Å; Y597-E599 PolarHBondContact O-N 3.05Å; Y597-V600 WeakPolarHBondContact O-CG2 3.41Å; Y597-V600 PolarHBondContact O-N 2.88Å; Y597-F601 WeakPolarHBondContact O-CD2 3.37Å; Y597-F601 PolarHBondContact O-N 3.45Å
598	P	90.8	Very high	92.8	Very high	18 Å²	18	43.7 Å²	43.7	12%	0.117	21%	0.21	C	C	.	.	H	α-helix	trans	-61.6	-39.9	-170	23.1	-33.9	0	0	0	112.8	F494 A498 Y499 I594 V600 F601 Y602	F494-P598 HydrophobicContact CE1-CB 4Å; F494-P598 HydrophobicContact CZ-CB 3.95Å; F494-P598 WeakPolarHBondContact CZ-O 3.29Å; A498-P598 HydrophobicContact CB-CB 3.85Å; Y499-P598 HydrophobicContact CE1-CB 4.14Å; Y499-P598 HydrophobicContact CE1-CG 3.8Å; Y499-P598 WeakPolarHBondContact OH-CB 3.48Å; Y499-P598 WeakPolarHBondContact OH-CG 3.49Å; I594-P598 WeakPolarHBondContact O-CA 3.46Å; I594-P598 WeakPolarHBondContact O-CD 3.34Å; P598-V600 PolarHBondContact O-N 3.15Å; P598-V600 VanDerWaalsContact O-N 3.11Å; P598-F601 PolarHBondContact O-N 3.3Å; P598-Y602 WeakPolarHBondContact O-CB 3.43Å; P598-Y602 PolarHBondContact O-N 3.27Å
599	E	89.7	Confident	91.9	Very high	88 Å²	88	46.4 Å²	46.4	41%	0.411	23%	0.228	S	C	.	.	H	α-helix	trans	-55	-33.9	-178	-68.3	-62.5	155.5	0	0	115	R365 Y597	R365-E599 HydrophobicContact CG-CB 4.28Å; R365-E599 VanDerWaalsContact CZ-O 3.31Å; R365-E599 IonicContact CZ-OE2 3.39Å; R365-E599 IonicContact NE-OE2 3.4Å; R365-E599 PolarHBondContact NH1-O 3.27Å; R365-E599 PolarHBondContact NH2-O 3.09Å; R365-E599 IonicContact NH2-OE2 2.96Å; R365-E599 PolarHBondContact NH2-OE2 2.69Å; Y597-E599 VanDerWaalsContact C-N 3.32Å; Y597-E599 PolarHBondContact O-N 3.05Å
600	V	90	Very high	91	Very high	13 Å²	13	54 Å²	54	8%	0.079	26%	0.258	C	S	.	.	H	α-helix	trans	-90.5	-31.3	-178.4	-64.8	0	0	0	0	112	R365 R366 I368 I371 Y597 P598	R365-V600 HydrophobicContact CB-CG1 3.63Å; R365-V600 HydrophobicContact CG-CG1 3.88Å; R366-V600 WeakPolarHBondContact O-CG1 3.5Å; I368-V600 HydrophobicContact CB-CB 4.49Å; I368-V600 HydrophobicContact CD1-CG2 4.33Å; I371-V600 HydrophobicContact CD1-CG2 3.67Å; Y597-V600 WeakPolarHBondContact O-CG2 3.41Å; Y597-V600 PolarHBondContact O-N 2.88Å; P598-V600 PolarHBondContact O-N 3.15Å; P598-V600 VanDerWaalsContact O-N 3.11Å
601	F	94.8	Very high	90.2	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-71.8	-31.1	171.8	-81.7	-88	0	0	0	112.2	I368 I371 L372 L479 F494 V590 K593 I594 Y597 P598 N603 I604 L605	I368-F601 HydrophobicContact CD1-CD1 4.04Å; I368-F601 HydrophobicContact CD1-CD2 4.02Å; I368-F601 HydrophobicContact CD1-CE1 3.92Å; I368-F601 HydrophobicContact CD1-CE2 3.88Å; I368-F601 HydrophobicContact CD1-CG 4.1Å; I368-F601 HydrophobicContact CD1-CZ 3.84Å; I371-F601 HydrophobicContact CD1-CE2 4.45Å; I371-F601 HydrophobicContact CG2-CE2 4.02Å; I371-F601 HydrophobicContact CG2-CZ 4.06Å; L372-F601 HydrophobicContact CD2-CE1 4.3Å; L372-F601 HydrophobicContact CD2-CZ 4.35Å; L479-F601 HydrophobicContact CD1-CE1 4.45Å; F494-F601 HydrophobicContact CE2-CB 3.98Å; F494-F601 HydrophobicContact CZ-CB 4.3Å; V590-F601 HydrophobicContact CG1-CE1 4.42Å; K593-F601 HydrophobicContact CB-CE2 3.8Å; K593-F601 HydrophobicContact CB-CZ 3.83Å; K593-F601 WeakPolarHBondContact O-CE2 3.25Å; I594-F601 HydrophobicContact CB-CG 4.33Å; I594-F601 HydrophobicContact CD1-CD1 4.38Å; I594-F601 HydrophobicContact CG1-CB 4.07Å; I594-F601 HydrophobicContact CG1-CD1 3.49Å; I594-F601 VanDerWaalsContact CG1-CD1 3.49Å; I594-F601 HydrophobicContact CG1-CD2 4.19Å; I594-F601 HydrophobicContact CG1-CE1 3.89Å; I594-F601 HydrophobicContact CG1-CG 3.65Å; I594-F601 HydrophobicContact CG1-CZ 4.4Å; I594-F601 HydrophobicContact CG2-CB 4.5Å; Y597-F601 WeakPolarHBondContact O-CD2 3.37Å; Y597-F601 PolarHBondContact O-N 3.45Å; P598-F601 PolarHBondContact O-N 3.3Å; F601-N603 VanDerWaalsContact C-N 3.26Å; F601-N603 PolarHBondContact O-N 3.33Å; F601-I604 HydrophobicContact CD1-CD1 3.95Å; F601-I604 HydrophobicContact CD1-CG1 4.4Å; F601-I604 HydrophobicContact CE1-CD1 4.32Å; F601-I604 VanDerWaalsContact O-CG1 3.3Å; F601-I604 WeakPolarHBondContact O-CG1 3.12Å; F601-I604 PolarHBondContact O-N 3.22Å; F601-I604 VanDerWaalsContact O-N 3.14Å; F601-L605 HydrophobicContact CB-CD1 4.3Å; F601-L605 HydrophobicContact CD1-CD1 4.4Å; F601-L605 WeakPolarHBondContact O-CB 3.45Å; F601-L605 WeakPolarHBondContact O-CG 3.34Å; F601-L605 PolarHBondContact O-N 2.91Å
602	Y	94.8	Very high	89.8	Confident	50 Å²	50	62.4 Å²	62.4	20%	0.196	31%	0.308	C	S	.	.	H	α-helix	trans	-53.5	-46.4	176.4	-174.6	-96.3	0	0	0	111.6	E491 F494 P598 I604 C606	E491-Y602 HydrophobicContact CB-CE2 4.37Å; E491-Y602 HydrophobicContact CG-CE2 4.18Å; F494-Y602 HydrophobicContact CB-CD2 4.4Å; F494-Y602 AromaticContact CD1-CD2 3.51Å; F494-Y602 HydrophobicContact CD1-CD2 3.51Å; F494-Y602 HydrophobicContact CD1-CE2 4.23Å; F494-Y602 HydrophobicContact CD2-CD2 4.3Å; F494-Y602 AromaticContact CE1-CD2 3.82Å; F494-Y602 HydrophobicContact CE1-CD2 3.82Å; F494-Y602 HydrophobicContact CE1-CG 4.45Å; F494-Y602 AromaticContact CG-CD2 3.78Å; F494-Y602 HydrophobicContact CG-CD2 3.78Å; F494-Y602 HydrophobicContact CG-CE2 4.4Å; F494-Y602 HydrophobicContact CZ-CD2 4.36Å; P598-Y602 WeakPolarHBondContact O-CB 3.43Å; P598-Y602 PolarHBondContact O-N 3.27Å; Y602-I604 VanDerWaalsContact C-N 3.3Å; Y602-I604 PolarHBondContact O-N 2.87Å; Y602-C606 HydrophobicContact CD2-CB 4.26Å; Y602-C606 HydrophobicContact CE1-CB 4.41Å; Y602-C606 HydrophobicContact CE2-CB 4.02Å; Y602-C606 VanDerWaalsContact O-CB 3.31Å; Y602-C606 WeakPolarHBondContact O-CB 3.44Å; Y602-C606 PolarHBondContact O-N 3.28Å
603	N	90.1	Very high	89.6	Confident	58 Å²	58	60.1 Å²	60.1	31%	0.31	30%	0.301	S	S	.	.	H	α-helix	trans	-62.6	-33.9	-178.5	-77.2	-8.2	0	0	0	113.3	R365 F601 R607	R365-N603 PolarHBondContact NH1-ND2 2.98Å; F601-N603 VanDerWaalsContact C-N 3.26Å; F601-N603 PolarHBondContact O-N 3.33Å; N603-R607 WeakPolarHBondContact O-CB 3.48Å
604	I	93.3	Very high	89.5	Confident	19 Å²	19	58 Å²	58	10%	0.097	29%	0.293	C	S	.	.	H	α-helix	trans	-94.4	-24.6	-176.6	61.3	152.2	0	0	0	113.1	I368 L479 S485 G487 F601 Y602 P666	I368-I604 HydrophobicContact CD1-CD1 3.78Å; I368-I604 HydrophobicContact CD1-CG1 4.33Å; I368-I604 HydrophobicContact CG1-CD1 3.67Å; I368-I604 HydrophobicContact CG1-CG1 4.14Å; I368-I604 HydrophobicContact CG1-CG2 4.08Å; I368-I604 HydrophobicContact CG2-CG2 4.21Å; L479-I604 HydrophobicContact CD2-CD1 3.8Å; S485-I604 WeakPolarHBondContact CB-O 3.22Å; S485-I604 PolarHBondContact OG-O 2.95Å; G487-I604 WeakPolarHBondContact CA-O 3.42Å; G487-I604 PolarHBondContact N-O 3.5Å; G487-I604 VanDerWaalsContact N-O 3.15Å; F601-I604 HydrophobicContact CD1-CD1 3.95Å; F601-I604 HydrophobicContact CD1-CG1 4.4Å; F601-I604 HydrophobicContact CE1-CD1 4.32Å; F601-I604 VanDerWaalsContact O-CG1 3.3Å; F601-I604 WeakPolarHBondContact O-CG1 3.12Å; F601-I604 PolarHBondContact O-N 3.22Å; F601-I604 VanDerWaalsContact O-N 3.14Å; Y602-I604 VanDerWaalsContact C-N 3.3Å; Y602-I604 PolarHBondContact O-N 2.87Å; I604-P666 HydrophobicContact CB-CG 4.18Å; I604-P666 HydrophobicContact CD1-CB 4.39Å; I604-P666 HydrophobicContact CD1-CG 4.24Å; I604-P666 HydrophobicContact CG2-CB 4Å; I604-P666 HydrophobicContact CG2-CG 3.94Å
605	L	96.1	Very high	89.4	Confident	1 Å²	1	65.3 Å²	65.3	1%	0.005	32%	0.324	C	S	.	.	H	α-helix	trans	-90.5	-33.4	-179.4	-65.1	-175.2	0	0	0	112.5	L479 P486 G487 F488 F489 F494 I594 F601	L479-L605 HydrophobicContact CD1-CD2 4.27Å; P486-L605 HydrophobicContact CG-CD2 4.16Å; G487-L605 CarbonylContact C-O 3.59Å; G487-L605 VanDerWaalsContact C-O 3.27Å; G487-L605 VanDerWaalsContact CA-O 3.3Å; G487-L605 WeakPolarHBondContact CA-O 3.49Å; G487-L605 PolarHBondContact N-O 3.37Å; F488-L605 PolarHBondContact N-O 2.86Å; F489-L605 WeakPolarHBondContact CB-O 3.2Å; F489-L605 HydrophobicContact CD2-CB 3.84Å; F489-L605 HydrophobicContact CD2-CD1 4.21Å; F489-L605 HydrophobicContact CD2-CG 4.42Å; F489-L605 HydrophobicContact CE2-CB 4.34Å; F489-L605 HydrophobicContact CE2-CD1 4.15Å; F489-L605 HydrophobicContact CE2-CD2 4.21Å; F489-L605 HydrophobicContact CE2-CG 4.47Å; F489-L605 HydrophobicContact CG-CB 4.42Å; F489-L605 PolarHBondContact N-O 3.45Å; F494-L605 HydrophobicContact CD2-CB 4.25Å; F494-L605 HydrophobicContact CD2-CD1 4.12Å; F494-L605 HydrophobicContact CE2-CD1 4.03Å; I594-L605 HydrophobicContact CD1-CD1 3.8Å; I594-L605 HydrophobicContact CG1-CD1 4.22Å; F601-L605 HydrophobicContact CB-CD1 4.3Å; F601-L605 HydrophobicContact CD1-CD1 4.4Å; F601-L605 WeakPolarHBondContact O-CB 3.45Å; F601-L605 WeakPolarHBondContact O-CG 3.34Å; F601-L605 PolarHBondContact O-N 2.91Å
606	C	94.4	Very high	89.2	Confident	13 Å²	13	63.7 Å²	63.7	9%	0.088	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-18.5	-171.4	-47.6	0	0	0	0	114.2	G487 F489 F494 Y602	G487-C606 CarbonylContact O-C 3.37Å; F489-C606 VanDerWaalsContact O-CA 3.31Å; F489-C606 WeakPolarHBondContact O-CA 3.39Å; F489-C606 WeakPolarHBondContact O-CB 3.39Å; F494-C606 WeakPolarHBondContact CB-SG 3.34Å; Y602-C606 HydrophobicContact CD2-CB 4.26Å; Y602-C606 HydrophobicContact CE1-CB 4.41Å; Y602-C606 HydrophobicContact CE2-CB 4.02Å; Y602-C606 VanDerWaalsContact O-CB 3.31Å; Y602-C606 WeakPolarHBondContact O-CB 3.44Å; Y602-C606 PolarHBondContact O-N 3.28Å
607	R	89	Confident	89.3	Confident	143 Å²	143	59.7 Å²	59.7	54%	0.54	30%	0.298	S	S	.	.	S	Bend	trans	-110.1	137.5	-179.3	-53.1	-176.4	179.4	-170.7	-0.9	110.3	G487 N603	G487-R607 VanDerWaalsContact CA-O 3.26Å; G487-R607 WeakPolarHBondContact CA-O 3.4Å; G487-R607 CarbonylContact O-C 3.56Å; N603-R607 WeakPolarHBondContact O-CB 3.48Å
608	K	81.8	Confident	89.5	Confident	117 Å²	117	58.3 Å²	58.3	51%	0.509	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-66.1	142.6	167.4	-66.3	-159.5	173.9	-158.3	0	109.3	E443 G487	E443-K608 WeakPolarHBondContact OE1-CE 3.44Å; E443-K608 IonicContact OE1-NZ 3.39Å; E443-K608 PolarHBondContact OE1-NZ 3.4Å; G487-K608 PolarHBondContact O-N 3.1Å
609	P	78.3	Confident	89.5	Confident	69 Å²	69	63.2 Å²	63.2	45%	0.448	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-56.6	142.7	175.1	-24.1	34.6	0	0	0	111.3	S663	P609-S663 VanDerWaalsContact CG-CB 3.48Å
610	E	76.8	Confident	89.6	Confident	183 Å²	183	61.1 Å²	61.1	86%	0.855	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-63	144.7	174.1	-70.4	179.2	-178.5	0	0	110.8	L612	E610-L612 PolarHBondContact O-N 3.39Å
611	T	80.1	Confident	89.7	Confident	139 Å²	139	61.2 Å²	61.2	85%	0.853	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-63.9	130.6	172.4	50.6	0	0	0	0	109.8
612	L	88.2	Confident	89.5	Confident	41 Å²	41	64.3 Å²	64.3	22%	0.215	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-70.6	136.2	179.9	-64	172.9	0	0	0	110.9	E610 L617 L620 M651 L655 V664	E610-L612 PolarHBondContact O-N 3.39Å; L612-L617 HydrophobicContact CB-CB 4.33Å; L612-L617 HydrophobicContact CD1-CD1 3.81Å; L612-L620 HydrophobicContact CD1-CD1 4.05Å; L612-M651 HydrophobicContact CB-CB 4.42Å; L612-M651 WeakPolarHBondContact O-CG 3.22Å; L612-L655 HydrophobicContact CD1-CD2 4.03Å; L612-V664 HydrophobicContact CD1-CG2 4.24Å; L612-V664 HydrophobicContact CD2-CG2 4.2Å
613	S	92.8	Very high	89.1	Confident	33 Å²	33	65.1 Å²	65.1	23%	0.231	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-78.4	164.7	166.2	64.1	0	0	0	0	111	K615 S616 L617 E643	S613-K615 PolarHBondContact O-N 2.86Å; S613-S616 PolarHBondContact O-N 2.91Å; S613-S616 WeakPolarHBondContact OG-CB 3.43Å; S613-S616 PolarHBondContact OG-N 3.22Å; S613-S616 PolarHBondContact OG-OG 3.32Å; S613-L617 WeakPolarHBondContact O-CB 3.47Å; S613-L617 PolarHBondContact O-N 3.26Å; S613-E643 VanDerWaalsContact CA-OE1 3.25Å; S613-E643 WeakPolarHBondContact CA-OE1 3.4Å; S613-E643 WeakPolarHBondContact CB-OE1 3.44Å
614	A	91.8	Very high	88.5	Confident	6 Å²	6	67.7 Å²	67.7	5%	0.05	35%	0.352	C	S	.	.	H	α-helix	trans	-56.2	-39.5	173.4	0	0	0	0	0	111	S618 L639 E643 M651	A614-S618 WeakPolarHBondContact O-CB 3.43Å; A614-S618 PolarHBondContact O-N 3.13Å; A614-L639 HydrophobicContact CB-CB 3.77Å; A614-L639 WeakPolarHBondContact CB-O 3.46Å; A614-E643 HydrophobicContact CB-CB 4.1Å; A614-E643 WeakPolarHBondContact CB-OE2 3.32Å; A614-E643 VanDerWaalsContact N-CD 3.34Å; A614-E643 PolarHBondContact N-OE2 3.39Å; A614-M651 HydrophobicContact CB-CE 3.89Å
615	K	91.9	Very high	87.3	Confident	153 Å²	153	70 Å²	70	67%	0.665	38%	0.381	S	S	*	.	H	α-helix	trans	-65.2	-52.2	176.4	-175.1	-179.1	177.4	-175.1	0	111.7	S613 L617 S618 D619	S613-K615 PolarHBondContact O-N 2.86Å; K615-L617 VanDerWaalsContact C-N 3.33Å; K615-L617 PolarHBondContact O-N 3.32Å; K615-S618 PolarHBondContact O-N 3.06Å; K615-D619 WeakPolarHBondContact O-CB 3.33Å; K615-D619 VanDerWaalsContact O-CG 3.3Å; K615-D619 PolarHBondContact O-N 2.73Å
616	S	90.7	Very high	85.7	Confident	55 Å²	55	78.2 Å²	78.2	39%	0.385	42%	0.423	S	S	.	.	H	α-helix	trans	-61.7	-41.9	-178.4	-61.8	0	0	0	0	111.5	S613 D619 L620	S613-S616 PolarHBondContact O-N 2.91Å; S613-S616 WeakPolarHBondContact OG-CB 3.43Å; S613-S616 PolarHBondContact OG-N 3.22Å; S613-S616 PolarHBondContact OG-OG 3.32Å; S616-D619 PolarHBondContact O-N 3.16Å; S616-L620 WeakPolarHBondContact O-CG 3.43Å; S616-L620 PolarHBondContact O-N 2.98Å
617	L	91.9	Very high	84.4	Confident	0 Å²	0	81.1 Å²	81.1	0%	0	44%	0.442	C	S	.	.	H	α-helix	trans	-65.8	-44.3	175.5	-173.9	64.2	0	0	0	110.8	L612 S613 K615 D619 L620 F621 L639 M651 I654 L655	L612-L617 HydrophobicContact CB-CB 4.33Å; L612-L617 HydrophobicContact CD1-CD1 3.81Å; S613-L617 WeakPolarHBondContact O-CB 3.47Å; S613-L617 PolarHBondContact O-N 3.26Å; K615-L617 VanDerWaalsContact C-N 3.33Å; K615-L617 PolarHBondContact O-N 3.32Å; L617-D619 VanDerWaalsContact C-N 3.31Å; L617-D619 PolarHBondContact O-N 3.25Å; L617-L620 HydrophobicContact CD1-CD1 4.16Å; L617-L620 WeakPolarHBondContact O-CB 3.37Å; L617-L620 PolarHBondContact O-N 2.98Å; L617-F621 HydrophobicContact CD1-CE2 3.94Å; L617-F621 HydrophobicContact CG-CE2 4.26Å; L617-F621 VanDerWaalsContact O-CD2 3.31Å; L617-F621 WeakPolarHBondContact O-CD2 3.38Å; L617-L639 HydrophobicContact CD2-CD2 3.7Å; L617-L639 HydrophobicContact CG-CD2 4.42Å; L617-M651 HydrophobicContact CB-SD 4.32Å; L617-M651 HydrophobicContact CD2-CB 4.41Å; L617-M651 HydrophobicContact CD2-SD 3.4Å; L617-M651 WeakPolarHBondContact CD2-SD 3.16Å; L617-M651 HydrophobicContact CG-SD 4.49Å; L617-I654 HydrophobicContact CD2-CB 4.17Å; L617-I654 HydrophobicContact CD2-CD1 4.18Å; L617-I654 HydrophobicContact CD2-CG2 3.96Å; L617-L655 HydrophobicContact CD1-CD1 4.14Å
618	S	91.9	Very high	84.1	Confident	26 Å²	26	76.5 Å²	76.5	18%	0.182	43%	0.428	C	S	.	.	H	α-helix	trans	-58.9	-40.5	176.5	-175.4	0	0	0	0	112.7	A614 K615 L620 F621	A614-S618 WeakPolarHBondContact O-CB 3.43Å; A614-S618 PolarHBondContact O-N 3.13Å; K615-S618 PolarHBondContact O-N 3.06Å; S618-L620 PolarHBondContact O-N 3.36Å; S618-F621 PolarHBondContact O-N 3.48Å
619	D	91.2	Very high	84.3	Confident	120 Å²	120	75.7 Å²	75.7	64%	0.642	43%	0.433	S	S	*	.	H	α-helix	trans	-71	-17.4	-177.9	-71.7	-17.3	0	0	0	112.6	K615 S616 L617 F621	K615-D619 WeakPolarHBondContact O-CB 3.33Å; K615-D619 VanDerWaalsContact O-CG 3.3Å; K615-D619 PolarHBondContact O-N 2.73Å; S616-D619 PolarHBondContact O-N 3.16Å; L617-D619 VanDerWaalsContact C-N 3.31Å; L617-D619 PolarHBondContact O-N 3.25Å; D619-F621 VanDerWaalsContact C-N 3.34Å
620	L	91.3	Very high	84.9	Confident	45 Å²	45	76.6 Å²	76.6	24%	0.236	43%	0.431	C	S	.	.	H	α-helix	trans	-71.8	-27	173.3	-70.3	171.2	0	0	0	112.9	L612 S616 L617 S618 V664 P673	L612-L620 HydrophobicContact CD1-CD1 4.05Å; S616-L620 WeakPolarHBondContact O-CG 3.43Å; S616-L620 PolarHBondContact O-N 2.98Å; L617-L620 HydrophobicContact CD1-CD1 4.16Å; L617-L620 WeakPolarHBondContact O-CB 3.37Å; L617-L620 PolarHBondContact O-N 2.98Å; S618-L620 PolarHBondContact O-N 3.36Å; L620-V664 HydrophobicContact CD1-CG2 3.71Å; L620-V664 HydrophobicContact CD2-CG2 4.32Å; L620-P673 WeakPolarHBondContact O-CD 3.44Å
621	F	92	Very high	85.6	Confident	15 Å²	15	67.9 Å²	67.9	7%	0.066	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-95.7	125.4	-173.2	-75.1	-92.1	0	0	0	112.5	L617 S618 D619 W635 T658 P673 I675 L692	L617-F621 HydrophobicContact CD1-CE2 3.94Å; L617-F621 HydrophobicContact CG-CE2 4.26Å; L617-F621 VanDerWaalsContact O-CD2 3.31Å; L617-F621 WeakPolarHBondContact O-CD2 3.38Å; S618-F621 PolarHBondContact O-N 3.48Å; D619-F621 VanDerWaalsContact C-N 3.34Å; F621-W635 HydrophobicContact CD2-CZ2 4.24Å; F621-W635 HydrophobicContact CE2-CZ2 4.32Å; F621-T658 HydrophobicContact CE1-CG2 3.52Å; F621-T658 HydrophobicContact CZ-CG2 3.74Å; F621-P673 WeakPolarHBondContact CA-O 3.45Å; F621-P673 HydrophobicContact CD1-CB 3.67Å; F621-P673 HydrophobicContact CE1-CB 3.78Å; F621-P673 HydrophobicContact CG-CB 4.1Å; F621-P673 HydrophobicContact CZ-CB 4.22Å; F621-I675 HydrophobicContact CB-CD1 3.57Å; F621-I675 HydrophobicContact CB-CG1 3.85Å; F621-I675 HydrophobicContact CD1-CD1 4.03Å; F621-I675 HydrophobicContact CD1-CG1 3.6Å; F621-I675 HydrophobicContact CE1-CG1 4.34Å; F621-I675 HydrophobicContact CG-CD1 3.85Å; F621-I675 HydrophobicContact CG-CG1 3.93Å; F621-L692 HydrophobicContact CE1-CB 3.97Å
622	T	90.5	Very high	86.1	Confident	65 Å²	65	62.7 Å²	62.7	40%	0.399	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	128.2	171.1	54.6	0	0	0	0	110.7	P673 S674 I675	T622-P673 PolarHBondContact N-O 3.38Å; T622-P673 PolarHBondContact OG1-O 3.17Å; T622-P673 VanDerWaalsContact OG1-O 3.05Å; T622-S674 CarbonylContact O-C 3.26Å; T622-S674 WeakPolarHBondContact O-CA 3.45Å; T622-S674 WeakPolarHBondContact O-CB 3.46Å; T622-I675 PolarHBondContact O-N 3.43Å
623	V	88.1	Confident	86.3	Confident	67 Å²	67	69.2 Å²	69.2	41%	0.406	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	124.2	179.3	-177.2	0	0	0	0	109.6	L632	V623-L632 HydrophobicContact CG1-CD1 4.04Å; V623-L632 HydrophobicContact CG1-CD2 4.15Å; V623-L632 HydrophobicContact CG2-CD1 4.38Å; V623-L632 HydrophobicContact CG2-CD2 3.89Å
624	H	76.8	Confident	86.4	Confident	111 Å²	111	69 Å²	69	51%	0.514	37%	0.374	S	S	.	.			trans	-106.6	147.3	174	-70.9	-43.5	0	0	0	111.3	S674 I675	H624-S674 WeakPolarHBondContact CD2-CB 3.49Å; H624-I675 PolarHBondContact N-O 3.08Å
625	G	67.7	Low	86.6	Confident	69 Å²	69	68.9 Å²	68.9	71%	0.711	37%	0.372	S	S	*	.	S	Bend	trans	89.3	-172.5	178.9	0	0	0	0	0	115.1	P627	G625-P627 WeakPolarHBondContact O-CD 3.39Å
626	L	63.4	Low	86.7	Confident	172 Å²	172	68 Å²	68	90%	0.901	37%	0.369	S	S	*	.	S	Bend	trans	-72.8	116	171.7	-74.6	170.7	0	0	0	108.2	D628	L626-D628 PolarHBondContact O-N 2.9Å
627	P	66.8	Low	86.9	Confident	74 Å²	74	68.3 Å²	68.3	48%	0.481	37%	0.37	S	S	.	.			trans	-71.1	118.7	-171.6	26.5	-32.5	0	0	0	110.7	G625 V629 L632	G625-P627 WeakPolarHBondContact O-CD 3.39Å; P627-V629 PolarHBondContact O-N 3.42Å; P627-L632 HydrophobicContact CB-CD1 3.54Å
628	D	82.4	Confident	87.1	Confident	47 Å²	47	68.3 Å²	68.3	25%	0.251	37%	0.37	S	S	.	.			trans	-71.8	100.6	162.8	-177.4	60.2	0	0	0	108.7	L626 Q630 T631 L632 C677 I696	L626-D628 PolarHBondContact O-N 2.9Å; D628-Q630 PolarHBondContact O-N 2.88Å; D628-T631 PolarHBondContact O-N 3.28Å; D628-T631 WeakPolarHBondContact OD2-CB 3.49Å; D628-T631 PolarHBondContact OD2-N 2.88Å; D628-T631 PolarHBondContact OD2-OG1 2.91Å; D628-L632 WeakPolarHBondContact O-CG 3.25Å; D628-L632 PolarHBondContact O-N 3.21Å; D628-C677 HydrophobicContact CB-CB 4.19Å; D628-I696 HydrophobicContact CB-CD1 4.49Å; D628-I696 HydrophobicContact CB-CG1 4.39Å
629	V	86.3	Confident	87.3	Confident	100 Å²	100	67.1 Å²	67.1	61%	0.606	36%	0.362	S	S	*	.	H	α-helix	trans	-58.8	-32.9	-172.8	179	0	0	0	0	111.1	P627 R633	P627-V629 PolarHBondContact O-N 3.42Å; V629-R633 VanDerWaalsContact O-CG 3.23Å; V629-R633 WeakPolarHBondContact O-CG 3.44Å; V629-R633 PolarHBondContact O-N 3.15Å; V629-R633 VanDerWaalsContact O-N 3.1Å
630	Q	90.3	Very high	87.6	Confident	88 Å²	88	65.5 Å²	65.5	41%	0.411	35%	0.35	S	S	.	.	H	α-helix	trans	-70.2	-49.6	179.1	-177.5	170.4	3.9	0	0	111.8	D628 L632 R633 F634 N698	D628-Q630 PolarHBondContact O-N 2.88Å; Q630-L632 VanDerWaalsContact C-N 3.31Å; Q630-L632 PolarHBondContact O-N 2.81Å; Q630-R633 WeakPolarHBondContact O-CB 3.2Å; Q630-R633 PolarHBondContact O-N 2.88Å; Q630-R633 VanDerWaalsContact O-N 3.08Å; Q630-F634 HydrophobicContact CG-CD2 4.38Å; Q630-F634 HydrophobicContact CG-CE1 4.22Å; Q630-F634 HydrophobicContact CG-CE2 3.87Å; Q630-F634 HydrophobicContact CG-CZ 3.79Å; Q630-F634 WeakPolarHBondContact O-CG 3.47Å; Q630-F634 PolarHBondContact O-N 3.2Å; Q630-N698 PolarHBondContact NE2-O 2.85Å
631	T	91.5	Very high	87.7	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-60.6	-40.4	177.5	-60.7	0	0	0	0	111.3	D628 R633 F634 W635 L694 F703	D628-T631 PolarHBondContact O-N 3.28Å; D628-T631 WeakPolarHBondContact OD2-CB 3.49Å; D628-T631 PolarHBondContact OD2-N 2.88Å; D628-T631 PolarHBondContact OD2-OG1 2.91Å; T631-R633 VanDerWaalsContact C-N 3.32Å; T631-R633 PolarHBondContact O-N 3.44Å; T631-F634 WeakPolarHBondContact O-CB 3.26Å; T631-F634 PolarHBondContact O-N 2.82Å; T631-W635 PolarHBondContact O-N 2.99Å; T631-L694 HydrophobicContact CG2-CB 3.74Å; T631-L694 HydrophobicContact CG2-CD1 4.21Å; T631-F703 HydrophobicContact CG2-CE2 4Å
632	L	91.4	Very high	87.9	Confident	29 Å²	29	63.5 Å²	63.5	15%	0.152	34%	0.342	C	S	.	.	H	α-helix	trans	-67.7	-30.5	175.3	-67	176.8	0	0	0	113.3	V623 P627 D628 Q630 K636 I675	V623-L632 HydrophobicContact CG1-CD1 4.04Å; V623-L632 HydrophobicContact CG1-CD2 4.15Å; V623-L632 HydrophobicContact CG2-CD1 4.38Å; V623-L632 HydrophobicContact CG2-CD2 3.89Å; P627-L632 HydrophobicContact CB-CD1 3.54Å; D628-L632 WeakPolarHBondContact O-CG 3.25Å; D628-L632 PolarHBondContact O-N 3.21Å; Q630-L632 VanDerWaalsContact C-N 3.31Å; Q630-L632 PolarHBondContact O-N 2.81Å; L632-K636 WeakPolarHBondContact O-CG 3.37Å; L632-K636 PolarHBondContact O-N 2.83Å; L632-I675 HydrophobicContact CD2-CG2 4.22Å
633	R	92.1	Very high	88.1	Confident	178 Å²	178	64.7 Å²	64.7	67%	0.672	34%	0.343	S	S	*	.	H	α-helix	trans	-68.4	-43	170.5	-75.3	175	70.4	175	3.1	110.8	V629 Q630 T631 W635 K636 S637	V629-R633 VanDerWaalsContact O-CG 3.23Å; V629-R633 WeakPolarHBondContact O-CG 3.44Å; V629-R633 PolarHBondContact O-N 3.15Å; V629-R633 VanDerWaalsContact O-N 3.1Å; Q630-R633 WeakPolarHBondContact O-CB 3.2Å; Q630-R633 PolarHBondContact O-N 2.88Å; Q630-R633 VanDerWaalsContact O-N 3.08Å; T631-R633 VanDerWaalsContact C-N 3.32Å; T631-R633 PolarHBondContact O-N 3.44Å; R633-W635 VanDerWaalsContact C-N 3.34Å; R633-K636 PolarHBondContact O-N 2.86Å; R633-S637 PolarHBondContact O-N 2.81Å; R633-S637 PolarHBondContact O-OG 3.33Å
634	F	95.1	Very high	88.3	Confident	28 Å²	28	66.3 Å²	66.3	12%	0.123	35%	0.35	C	S	.	.	H	α-helix	trans	-62.2	-41.5	175.2	-67.7	-13.5	0	0	0	112.1	Q630 T631 K636 S637 Y638 I697 T699 Y700 F703	Q630-F634 HydrophobicContact CG-CD2 4.38Å; Q630-F634 HydrophobicContact CG-CE1 4.22Å; Q630-F634 HydrophobicContact CG-CE2 3.87Å; Q630-F634 HydrophobicContact CG-CZ 3.79Å; Q630-F634 WeakPolarHBondContact O-CG 3.47Å; Q630-F634 PolarHBondContact O-N 3.2Å; T631-F634 WeakPolarHBondContact O-CB 3.26Å; T631-F634 PolarHBondContact O-N 2.82Å; F634-K636 PolarHBondContact O-N 3.13Å; F634-S637 PolarHBondContact O-N 3.09Å; F634-Y638 VanDerWaalsContact O-CB 3.27Å; F634-Y638 WeakPolarHBondContact O-CB 3.48Å; F634-Y638 PolarHBondContact O-N 3.36Å; F634-I697 WeakPolarHBondContact CE2-O 3.2Å; F634-T699 VanDerWaalsContact CE2-C 3.46Å; F634-Y700 HydrophobicContact CB-CD2 4.01Å; F634-Y700 AromaticContact CD1-CD2 3.82Å; F634-Y700 HydrophobicContact CD1-CD2 3.82Å; F634-Y700 HydrophobicContact CD1-CG 4.28Å; F634-Y700 HydrophobicContact CG-CD2 4.03Å; F634-Y700 VanDerWaalsContact CZ-N 3.31Å; F634-F703 HydrophobicContact CB-CB 4.42Å; F634-F703 HydrophobicContact CB-CD1 3.74Å; F634-F703 HydrophobicContact CB-CD2 4.16Å; F634-F703 HydrophobicContact CB-CE1 3.97Å; F634-F703 HydrophobicContact CB-CE2 4.37Å; F634-F703 HydrophobicContact CB-CG 3.84Å; F634-F703 HydrophobicContact CB-CZ 4.28Å; F634-F703 HydrophobicContact CD2-CB 4.03Å; F634-F703 HydrophobicContact CD2-CD2 4.35Å; F634-F703 HydrophobicContact CD2-CG 4.18Å; F634-F703 HydrophobicContact CG-CG 4.43Å
635	W	95.1	Very high	89	Confident	5 Å²	5	64.1 Å²	64.1	2%	0.019	36%	0.357	C	S	.	.	H	α-helix	trans	-55.3	-51.2	172.7	170.2	-117.9	0	0	0	112.5	F621 T631 R633 S637 Y638 L639 I654 I675 L692 L694 F703 M707	F621-W635 HydrophobicContact CD2-CZ2 4.24Å; F621-W635 HydrophobicContact CE2-CZ2 4.32Å; T631-W635 PolarHBondContact O-N 2.99Å; R633-W635 VanDerWaalsContact C-N 3.34Å; W635-S637 VanDerWaalsContact C-N 3.34Å; W635-S637 PolarHBondContact O-N 3.11Å; W635-Y638 HydrophobicContact CE3-CD1 4.25Å; W635-Y638 HydrophobicContact CZ3-CD1 4.15Å; W635-Y638 WeakPolarHBondContact O-CB 3.36Å; W635-Y638 PolarHBondContact O-N 3.46Å; W635-L639 HydrophobicContact CD2-CD1 4.24Å; W635-L639 HydrophobicContact CD2-CG 4.08Å; W635-L639 HydrophobicContact CE3-CD2 4.36Å; W635-L639 HydrophobicContact CE3-CG 4.26Å; W635-L639 HydrophobicContact CH2-CD1 4.28Å; W635-L639 HydrophobicContact CH2-CD2 3.54Å; W635-L639 HydrophobicContact CH2-CG 4.06Å; W635-L639 HydrophobicContact CZ2-CD1 3.58Å; W635-L639 HydrophobicContact CZ2-CD2 3.73Å; W635-L639 HydrophobicContact CZ2-CG 3.83Å; W635-L639 HydrophobicContact CZ3-CD2 3.85Å; W635-L639 HydrophobicContact CZ3-CG 4.25Å; W635-L639 WeakPolarHBondContact O-CG 3.46Å; W635-L639 PolarHBondContact O-N 3.17Å; W635-I654 HydrophobicContact CH2-CG2 3.87Å; W635-I654 HydrophobicContact CZ3-CG2 4.49Å; W635-I675 HydrophobicContact CD2-CD1 4.19Å; W635-I675 HydrophobicContact CG-CD1 4.32Å; W635-I675 HydrophobicContact CZ2-CD1 3.92Å; W635-I675 VanDerWaalsContact NE1-CD1 3.34Å; W635-L692 HydrophobicContact CE3-CD2 4.47Å; W635-L692 HydrophobicContact CH2-CD2 3.65Å; W635-L692 HydrophobicContact CZ2-CD2 4.34Å; W635-L692 HydrophobicContact CZ3-CD2 3.75Å; W635-L694 HydrophobicContact CB-CD1 3.82Å; W635-L694 HydrophobicContact CD2-CD1 4.23Å; W635-L694 HydrophobicContact CE3-CD1 4.37Å; W635-L694 HydrophobicContact CE3-CD2 4.12Å; W635-L694 HydrophobicContact CG-CD1 4.01Å; W635-L694 HydrophobicContact CZ3-CD2 4.49Å; W635-F703 HydrophobicContact CB-CZ 4.45Å; W635-M707 HydrophobicContact CE3-CE 4.2Å; W635-M707 HydrophobicContact CZ3-CE 3.79Å
636	K	94.5	Very high	90.1	Very high	135 Å²	135	65.4 Å²	65.4	59%	0.587	35%	0.351	S	S	*	.	H	α-helix	trans	-61.9	-41.8	178.3	-71.4	-179.5	-179.4	-174.2	0	112.3	L632 R633 F634 Y638 L639 Q640	L632-K636 WeakPolarHBondContact O-CG 3.37Å; L632-K636 PolarHBondContact O-N 2.83Å; R633-K636 PolarHBondContact O-N 2.86Å; F634-K636 PolarHBondContact O-N 3.13Å; K636-Y638 VanDerWaalsContact C-N 3.33Å; K636-L639 PolarHBondContact O-N 2.8Å; K636-Q640 PolarHBondContact O-N 2.75Å; K636-Q640 VanDerWaalsContact O-N 3.08Å
637	S	94.9	Very high	91.4	Very high	60 Å²	60	58 Å²	58	42%	0.42	31%	0.314	S	S	.	.	H	α-helix	trans	-65	-37.6	175.5	-68.7	0	0	0	0	112.3	R633 F634 W635 Q640 A641 Y700	R633-S637 PolarHBondContact O-N 2.81Å; R633-S637 PolarHBondContact O-OG 3.33Å; F634-S637 PolarHBondContact O-N 3.09Å; W635-S637 VanDerWaalsContact C-N 3.34Å; W635-S637 PolarHBondContact O-N 3.11Å; S637-Q640 PolarHBondContact O-N 2.64Å; S637-A641 WeakPolarHBondContact O-CB 3.05Å; S637-A641 PolarHBondContact O-N 3.12Å; S637-Y700 VanDerWaalsContact CB-CE2 3.46Å; S637-Y700 PolarHBondContact O-OH 3.39Å
638	Y	96.5	Very high	92.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-66.2	-45	177.1	177.5	-105.2	0	0	0	111.5	F634 W635 K636 Q640 A641 V642 T649 I654 Y700 F703 Q704 M707 D708	F634-Y638 VanDerWaalsContact O-CB 3.27Å; F634-Y638 WeakPolarHBondContact O-CB 3.48Å; F634-Y638 PolarHBondContact O-N 3.36Å; W635-Y638 HydrophobicContact CE3-CD1 4.25Å; W635-Y638 HydrophobicContact CZ3-CD1 4.15Å; W635-Y638 WeakPolarHBondContact O-CB 3.36Å; W635-Y638 PolarHBondContact O-N 3.46Å; K636-Y638 VanDerWaalsContact C-N 3.33Å; Y638-Q640 VanDerWaalsContact C-N 3.29Å; Y638-Q640 PolarHBondContact O-N 3.09Å; Y638-A641 WeakPolarHBondContact O-CB 3.4Å; Y638-A641 PolarHBondContact O-N 3.31Å; Y638-A641 VanDerWaalsContact O-N 3.12Å; Y638-V642 HydrophobicContact CD1-CG2 4.35Å; Y638-V642 HydrophobicContact CE1-CG2 3.95Å; Y638-V642 HydrophobicContact CE2-CG2 4.22Å; Y638-V642 VanDerWaalsContact O-CG2 3.32Å; Y638-V642 WeakPolarHBondContact O-CG2 3.21Å; Y638-V642 PolarHBondContact O-N 3.29Å; Y638-T649 WeakPolarHBondContact OH-CB 3.4Å; Y638-T649 PolarHBondContact OH-OG1 3.33Å; Y638-I654 HydrophobicContact CE1-CD1 3.88Å; Y638-I654 HydrophobicContact CE1-CG1 4.48Å; Y638-Y700 WeakPolarHBondContact CA-OH 3.25Å; Y638-Y700 PolarHBondContact N-OH 2.76Å; Y638-F703 HydrophobicContact CG-CE1 4.23Å; Y638-Q704 HydrophobicContact CD2-CB 4.18Å; Y638-Q704 HydrophobicContact CD2-CG 3.91Å; Y638-Q704 HydrophobicContact CE2-CG 4Å; Y638-M707 HydrophobicContact CD1-CB 4.44Å; Y638-M707 HydrophobicContact CD1-CE 4Å; Y638-M707 HydrophobicContact CD1-CG 4.45Å; Y638-M707 HydrophobicContact CD2-CB 4.22Å; Y638-M707 HydrophobicContact CE1-CB 3.89Å; Y638-M707 HydrophobicContact CE1-CE 3.71Å; Y638-M707 HydrophobicContact CE1-CG 4.31Å; Y638-M707 HydrophobicContact CE2-CB 3.65Å; Y638-M707 HydrophobicContact CE2-CG 4.43Å; Y638-M707 VanDerWaalsContact CZ-CB 3.46Å; Y638-D708 VanDerWaalsContact CE2-OD1 3.31Å; Y638-D708 WeakPolarHBondContact CE2-OD1 3.31Å; Y638-D708 PolarHBondContact OH-OD1 3.27Å
639	L	96.4	Very high	93	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-58.8	-42	173.3	-69.2	-173.1	0	0	0	111.9	A614 L617 W635 K636 V642 E643 M651 I654	A614-L639 HydrophobicContact CB-CB 3.77Å; A614-L639 WeakPolarHBondContact CB-O 3.46Å; L617-L639 HydrophobicContact CD2-CD2 3.7Å; L617-L639 HydrophobicContact CG-CD2 4.42Å; W635-L639 HydrophobicContact CD2-CD1 4.24Å; W635-L639 HydrophobicContact CD2-CG 4.08Å; W635-L639 HydrophobicContact CE3-CD2 4.36Å; W635-L639 HydrophobicContact CE3-CG 4.26Å; W635-L639 HydrophobicContact CH2-CD1 4.28Å; W635-L639 HydrophobicContact CH2-CD2 3.54Å; W635-L639 HydrophobicContact CH2-CG 4.06Å; W635-L639 HydrophobicContact CZ2-CD1 3.58Å; W635-L639 HydrophobicContact CZ2-CD2 3.73Å; W635-L639 HydrophobicContact CZ2-CG 3.83Å; W635-L639 HydrophobicContact CZ3-CD2 3.85Å; W635-L639 HydrophobicContact CZ3-CG 4.25Å; W635-L639 WeakPolarHBondContact O-CG 3.46Å; W635-L639 PolarHBondContact O-N 3.17Å; K636-L639 PolarHBondContact O-N 2.8Å; L639-V642 PolarHBondContact O-N 2.71Å; L639-E643 PolarHBondContact O-N 2.88Å; L639-M651 HydrophobicContact CD2-SD 4.32Å; L639-M651 WeakPolarHBondContact O-CE 3.49Å; L639-I654 HydrophobicContact CD2-CD1 3.82Å
640	Q	95.9	Very high	93.3	Very high	86 Å²	86	54 Å²	54	40%	0.402	30%	0.297	S	S	.	.	H	α-helix	trans	-62.9	-43	174.6	-168.8	63.8	55.9	0	0	111.5	K636 S637 Y638 V642 E643 D644	K636-Q640 PolarHBondContact O-N 2.75Å; K636-Q640 VanDerWaalsContact O-N 3.08Å; S637-Q640 PolarHBondContact O-N 2.64Å; Y638-Q640 VanDerWaalsContact C-N 3.29Å; Y638-Q640 PolarHBondContact O-N 3.09Å; Q640-V642 VanDerWaalsContact C-N 3.28Å; Q640-V642 PolarHBondContact O-N 2.9Å; Q640-E643 PolarHBondContact O-N 2.88Å; Q640-E643 VanDerWaalsContact O-N 3.17Å; Q640-D644 PolarHBondContact NE2-OD1 2.89Å; Q640-D644 WeakPolarHBondContact O-CB 3.4Å; Q640-D644 PolarHBondContact O-N 3.33Å
641	A	94.4	Very high	93.5	Very high	8 Å²	8	50.9 Å²	50.9	7%	0.066	28%	0.283	C	S	.	.	H	α-helix	trans	-61.6	-36.2	177.3	0	0	0	0	0	112.7	S637 Y638 G645 T646 S647 Y700	S637-A641 WeakPolarHBondContact O-CB 3.05Å; S637-A641 PolarHBondContact O-N 3.12Å; Y638-A641 WeakPolarHBondContact O-CB 3.4Å; Y638-A641 PolarHBondContact O-N 3.31Å; Y638-A641 VanDerWaalsContact O-N 3.12Å; A641-G645 PolarHBondContact O-N 3.16Å; A641-T646 VanDerWaalsContact CA-OG1 3.26Å; A641-T646 WeakPolarHBondContact CA-OG1 3.36Å; A641-T646 WeakPolarHBondContact CB-OG1 3.32Å; A641-T646 PolarHBondContact O-N 3.26Å; A641-T646 PolarHBondContact O-OG1 3.48Å; A641-S647 PolarHBondContact O-N 3.27Å; A641-Y700 WeakPolarHBondContact CB-OH 3.38Å
642	V	95.3	Very high	93.5	Very high	11 Å²	11	54.7 Å²	54.7	7%	0.067	30%	0.301	C	S	.	.	H	α-helix	trans	-66.9	-44.2	173.1	171.2	0	0	0	0	111.2	Y638 L639 Q640 D644 G645 S647 T649 M651 I654	Y638-V642 HydrophobicContact CD1-CG2 4.35Å; Y638-V642 HydrophobicContact CE1-CG2 3.95Å; Y638-V642 HydrophobicContact CE2-CG2 4.22Å; Y638-V642 VanDerWaalsContact O-CG2 3.32Å; Y638-V642 WeakPolarHBondContact O-CG2 3.21Å; Y638-V642 PolarHBondContact O-N 3.29Å; L639-V642 PolarHBondContact O-N 2.71Å; Q640-V642 VanDerWaalsContact C-N 3.28Å; Q640-V642 PolarHBondContact O-N 2.9Å; V642-D644 VanDerWaalsContact C-N 3.35Å; V642-G645 PolarHBondContact O-N 2.8Å; V642-S647 WeakPolarHBondContact CG2-OG 3.45Å; V642-T649 WeakPolarHBondContact CG1-O 3.12Å; V642-M651 HydrophobicContact CB-CE 4.05Å; V642-M651 HydrophobicContact CB-SD 4.39Å; V642-M651 HydrophobicContact CG1-CE 3.83Å; V642-M651 HydrophobicContact CG1-CG 3.94Å; V642-M651 HydrophobicContact CG1-SD 3.73Å; V642-I654 HydrophobicContact CG1-CD1 4.3Å; V642-I654 HydrophobicContact CG2-CD1 4.13Å
643	E	94.6	Very high	93.6	Very high	89 Å²	89	54.4 Å²	54.4	42%	0.416	30%	0.299	S	S	.	.	H	α-helix	trans	-65.1	-38.3	176.9	-174.4	163.9	-148.1	0	0	112.2	S613 A614 L639 Q640 G645 M651	S613-E643 VanDerWaalsContact CA-OE1 3.25Å; S613-E643 WeakPolarHBondContact CA-OE1 3.4Å; S613-E643 WeakPolarHBondContact CB-OE1 3.44Å; A614-E643 HydrophobicContact CB-CB 4.1Å; A614-E643 WeakPolarHBondContact CB-OE2 3.32Å; A614-E643 VanDerWaalsContact N-CD 3.34Å; A614-E643 PolarHBondContact N-OE2 3.39Å; L639-E643 PolarHBondContact O-N 2.88Å; Q640-E643 PolarHBondContact O-N 2.88Å; Q640-E643 VanDerWaalsContact O-N 3.17Å; E643-G645 PolarHBondContact O-N 3.23Å; E643-M651 HydrophobicContact CB-CE 3.68Å
644	D	93.2	Very high	93.7	Very high	102 Å²	102	46 Å²	46	55%	0.545	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-3.5	178.1	-62.9	-14.1	0	0	0	112.8	Q640 V642 T646	Q640-D644 PolarHBondContact NE2-OD1 2.89Å; Q640-D644 WeakPolarHBondContact O-CB 3.4Å; Q640-D644 PolarHBondContact O-N 3.33Å; V642-D644 VanDerWaalsContact C-N 3.35Å; D644-T646 VanDerWaalsContact C-N 3.31Å; D644-T646 HydrophobicContact CB-CG2 4.19Å; D644-T646 PolarHBondContact O-N 3.08Å
645	G	91.1	Very high	93.6	Very high	64 Å²	64	44.7 Å²	44.7	66%	0.66	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.3	21.6	-179.7	0	0	0	0	0	114.4	A641 V642 E643	A641-G645 PolarHBondContact O-N 3.16Å; V642-G645 PolarHBondContact O-N 2.8Å; E643-G645 PolarHBondContact O-N 3.23Å
646	T	90.2	Very high	93.5	Very high	96 Å²	96	45.6 Å²	45.6	59%	0.589	27%	0.268	S	S	*	.			trans	-97	-4	-179.1	63.2	0	0	0	0	113.7	A641 D644	A641-T646 VanDerWaalsContact CA-OG1 3.26Å; A641-T646 WeakPolarHBondContact CA-OG1 3.36Å; A641-T646 WeakPolarHBondContact CB-OG1 3.32Å; A641-T646 PolarHBondContact O-N 3.26Å; A641-T646 PolarHBondContact O-OG1 3.48Å; D644-T646 VanDerWaalsContact C-N 3.31Å; D644-T646 HydrophobicContact CB-CG2 4.19Å; D644-T646 PolarHBondContact O-N 3.08Å
647	S	90.9	Very high	93.4	Very high	18 Å²	18	39.6 Å²	39.6	13%	0.126	24%	0.242	C	C	.	.	S	Bend	trans	-105.3	156.5	172.9	157	0	0	0	0	110.5	A641 V642 T649 D708	A641-S647 PolarHBondContact O-N 3.27Å; V642-S647 WeakPolarHBondContact CG2-OG 3.45Å; S647-T649 PolarHBondContact O-N 2.97Å; S647-T649 PolarHBondContact OG-N 3.17Å; S647-T649 VanDerWaalsContact OG-N 3.09Å; S647-D708 VanDerWaalsContact OG-CG 3.24Å; S647-D708 PolarHBondContact OG-OD1 3.23Å; S647-D708 PolarHBondContact OG-OD2 3.32Å; S647-D708 VanDerWaalsContact OG-OD2 3.05Å
648	A	89.5	Confident	93.3	Very high	67 Å²	67	36.7 Å²	36.7	55%	0.554	22%	0.222	S	C	*	.	S	Bend	trans	-71.9	-19	175.1	0	0	0	0	0	112.9	D708 K712	A648-D708 HydrophobicContact CB-CB 4.27Å; A648-D708 PolarHBondContact N-OD2 3.28Å; A648-D708 VanDerWaalsContact N-OD2 3.11Å; A648-K712 WeakPolarHBondContact O-CE 3.35Å; A648-K712 PolarHBondContact O-NZ 3.33Å
649	T	93.3	Very high	93	Very high	5 Å²	5	36.7 Å²	36.7	3%	0.031	22%	0.222	C	C	.	.			trans	-96.1	154.2	-171.8	-54.8	0	0	0	0	111.4	Y638 V642 S647 D653 I654 D708 I711	Y638-T649 WeakPolarHBondContact OH-CB 3.4Å; Y638-T649 PolarHBondContact OH-OG1 3.33Å; V642-T649 WeakPolarHBondContact CG1-O 3.12Å; S647-T649 PolarHBondContact O-N 2.97Å; S647-T649 PolarHBondContact OG-N 3.17Å; S647-T649 VanDerWaalsContact OG-N 3.09Å; T649-D653 HydrophobicContact CG2-CB 3.58Å; T649-I654 HydrophobicContact CG2-CG1 3.87Å; T649-D708 WeakPolarHBondContact CB-OD1 3.34Å; T649-D708 WeakPolarHBondContact OG1-CA 3.29Å; T649-D708 PolarHBondContact OG1-OD1 2.69Å; T649-I711 HydrophobicContact CG2-CB 4.17Å; T649-I711 HydrophobicContact CG2-CD1 4.1Å; T649-I711 HydrophobicContact CG2-CG2 3.64Å
650	T	93.4	Very high	92.7	Very high	65 Å²	65	36.9 Å²	36.9	40%	0.399	22%	0.223	S	C	.	.			trans	-108	163.2	174	66.8	0	0	0	0	111.9	E652 D653 I654	T650-E652 PolarHBondContact O-N 2.78Å; T650-D653 PolarHBondContact N-OD2 2.82Å; T650-D653 WeakPolarHBondContact O-CB 3.41Å; T650-D653 PolarHBondContact O-N 2.83Å; T650-D653 VanDerWaalsContact O-N 3.12Å; T650-D653 PolarHBondContact OG1-N 3.14Å; T650-D653 VanDerWaalsContact OG1-N 3.11Å; T650-D653 PolarHBondContact OG1-OD2 2.97Å; T650-I654 PolarHBondContact O-N 3.5Å; T650-I654 VanDerWaalsContact O-N 3.14Å
651	M	93.3	Very high	92.4	Very high	22 Å²	22	32.8 Å²	32.8	11%	0.108	20%	0.204	C	C	.	.	H	α-helix	trans	-60	-35	173.7	-63.7	-64.4	-174.5	0	0	112.4	L612 A614 L617 L639 V642 E643 I654 L655	L612-M651 HydrophobicContact CB-CB 4.42Å; L612-M651 WeakPolarHBondContact O-CG 3.22Å; A614-M651 HydrophobicContact CB-CE 3.89Å; L617-M651 HydrophobicContact CB-SD 4.32Å; L617-M651 HydrophobicContact CD2-CB 4.41Å; L617-M651 HydrophobicContact CD2-SD 3.4Å; L617-M651 WeakPolarHBondContact CD2-SD 3.16Å; L617-M651 HydrophobicContact CG-SD 4.49Å; L639-M651 HydrophobicContact CD2-SD 4.32Å; L639-M651 WeakPolarHBondContact O-CE 3.49Å; V642-M651 HydrophobicContact CB-CE 4.05Å; V642-M651 HydrophobicContact CB-SD 4.39Å; V642-M651 HydrophobicContact CG1-CE 3.83Å; V642-M651 HydrophobicContact CG1-CG 3.94Å; V642-M651 HydrophobicContact CG1-SD 3.73Å; E643-M651 HydrophobicContact CB-CE 3.68Å; M651-I654 HydrophobicContact SD-CD1 4.46Å; M651-L655 PolarHBondContact O-N 3.03Å; M651-L655 VanDerWaalsContact O-N 3.13Å
652	E	91.7	Very high	92	Very high	80 Å²	80	37.4 Å²	37.4	37%	0.374	22%	0.22	S	C	.	.	H	α-helix	trans	-64.4	-44.4	173.9	-175.9	178.4	165.4	0	0	110.8	T650 I654 L655 V656 R662	T650-E652 PolarHBondContact O-N 2.78Å; E652-I654 VanDerWaalsContact C-N 3.34Å; E652-I654 PolarHBondContact O-N 2.99Å; E652-L655 PolarHBondContact O-N 3.36Å; E652-L655 VanDerWaalsContact O-N 3.17Å; E652-V656 HydrophobicContact CG-CG2 4.21Å; E652-V656 VanDerWaalsContact O-CG2 3.29Å; E652-V656 WeakPolarHBondContact O-CG2 3.4Å; E652-V656 PolarHBondContact O-N 3.24Å; E652-R662 HydrophobicContact CG-CB 4.01Å; E652-R662 HydrophobicContact CG-CG 4.24Å; E652-R662 WeakPolarHBondContact OE1-CB 3.35Å; E652-R662 VanDerWaalsContact OE1-CD 3.25Å; E652-R662 WeakPolarHBondContact OE1-CD 3.19Å; E652-R662 WeakPolarHBondContact OE1-CG 3.43Å; E652-R662 IonicContact OE1-CZ 3.1Å; E652-R662 IonicContact OE1-NE 2.6Å; E652-R662 IonicContact OE1-NH1 2.84Å; E652-R662 PolarHBondContact OE1-NH1 2.77Å
653	D	94.1	Very high	91.8	Very high	23 Å²	23	37.8 Å²	37.8	12%	0.123	22%	0.223	C	C	.	.	H	α-helix	trans	-59.1	-44.2	178.4	-66.3	-40.8	0	0	0	111.6	T649 T650 L655 V656 F657 I711 K712 L715	T649-D653 HydrophobicContact CG2-CB 3.58Å; T650-D653 PolarHBondContact N-OD2 2.82Å; T650-D653 WeakPolarHBondContact O-CB 3.41Å; T650-D653 PolarHBondContact O-N 2.83Å; T650-D653 VanDerWaalsContact O-N 3.12Å; T650-D653 PolarHBondContact OG1-N 3.14Å; T650-D653 VanDerWaalsContact OG1-N 3.11Å; T650-D653 PolarHBondContact OG1-OD2 2.97Å; D653-L655 VanDerWaalsContact C-N 3.34Å; D653-L655 PolarHBondContact O-N 3.38Å; D653-V656 PolarHBondContact O-N 2.92Å; D653-F657 WeakPolarHBondContact O-CB 3.22Å; D653-F657 PolarHBondContact O-N 2.87Å; D653-I711 HydrophobicContact CB-CG2 3.82Å; D653-K712 IonicContact OD2-NZ 3.6Å; D653-K712 PolarHBondContact OD2-NZ 2.72Å; D653-L715 HydrophobicContact CB-CD1 3.63Å
654	I	94.6	Very high	91.6	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.8	-43.5	177	-63.7	168.4	0	0	0	110.9	L617 W635 Y638 L639 V642 T649 T650 M651 E652 T658 I711	L617-I654 HydrophobicContact CD2-CB 4.17Å; L617-I654 HydrophobicContact CD2-CD1 4.18Å; L617-I654 HydrophobicContact CD2-CG2 3.96Å; W635-I654 HydrophobicContact CH2-CG2 3.87Å; W635-I654 HydrophobicContact CZ3-CG2 4.49Å; Y638-I654 HydrophobicContact CE1-CD1 3.88Å; Y638-I654 HydrophobicContact CE1-CG1 4.48Å; L639-I654 HydrophobicContact CD2-CD1 3.82Å; V642-I654 HydrophobicContact CG1-CD1 4.3Å; V642-I654 HydrophobicContact CG2-CD1 4.13Å; T649-I654 HydrophobicContact CG2-CG1 3.87Å; T650-I654 PolarHBondContact O-N 3.5Å; T650-I654 VanDerWaalsContact O-N 3.14Å; M651-I654 HydrophobicContact SD-CD1 4.46Å; E652-I654 VanDerWaalsContact C-N 3.34Å; E652-I654 PolarHBondContact O-N 2.99Å; I654-T658 WeakPolarHBondContact O-CB 3.45Å; I654-T658 PolarHBondContact O-N 3.46Å; I654-T658 VanDerWaalsContact O-N 3.09Å; I654-T658 PolarHBondContact O-OG1 3.41Å; I654-I711 HydrophobicContact CG1-CD1 3.93Å
655	L	93.1	Very high	91.6	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-67	-43.4	-179.1	-167.6	67.2	0	0	0	111.4	L612 L617 M651 E652 D653 T658 T659 C661 F669	L612-L655 HydrophobicContact CD1-CD2 4.03Å; L617-L655 HydrophobicContact CD1-CD1 4.14Å; M651-L655 PolarHBondContact O-N 3.03Å; M651-L655 VanDerWaalsContact O-N 3.13Å; E652-L655 PolarHBondContact O-N 3.36Å; E652-L655 VanDerWaalsContact O-N 3.17Å; D653-L655 VanDerWaalsContact C-N 3.34Å; D653-L655 PolarHBondContact O-N 3.38Å; L655-T658 PolarHBondContact O-N 3.36Å; L655-T659 HydrophobicContact CD1-CG2 4.09Å; L655-T659 WeakPolarHBondContact O-CB 3.02Å; L655-T659 PolarHBondContact O-N 3.34Å; L655-T659 PolarHBondContact O-OG1 2.82Å; L655-C661 CarbonylContact C-O 3.52Å; L655-C661 WeakPolarHBondContact CG-O 3.46Å; L655-F669 HydrophobicContact CD1-CE2 4.06Å; L655-F669 HydrophobicContact CD1-CZ 3.86Å; L655-F669 HydrophobicContact CD2-CZ 4.48Å; L655-F669 HydrophobicContact CG-CZ 4.37Å
656	V	91.9	Very high	91.6	Very high	25 Å²	25	29.2 Å²	29.2	15%	0.152	17%	0.168	C	C	.	.	H	α-helix	trans	-65.2	-44.8	176.7	176.2	0	0	0	0	110.5	E652 D653 T658 G660 C661 R662 K687 L715	E652-V656 HydrophobicContact CG-CG2 4.21Å; E652-V656 VanDerWaalsContact O-CG2 3.29Å; E652-V656 WeakPolarHBondContact O-CG2 3.4Å; E652-V656 PolarHBondContact O-N 3.24Å; D653-V656 PolarHBondContact O-N 2.92Å; V656-T658 PolarHBondContact O-N 3.35Å; V656-G660 VanDerWaalsContact O-CA 3.26Å; V656-G660 WeakPolarHBondContact O-CA 3.4Å; V656-G660 PolarHBondContact O-N 2.92Å; V656-C661 WeakPolarHBondContact CA-O 3.46Å; V656-C661 WeakPolarHBondContact CG2-O 3.16Å; V656-C661 PolarHBondContact N-O 3.23Å; V656-R662 HydrophobicContact CG2-CB 4.33Å; V656-R662 HydrophobicContact CG2-CG 3.72Å; V656-K687 WeakPolarHBondContact O-CE 3.39Å; V656-L715 HydrophobicContact CB-CD2 4.19Å; V656-L715 HydrophobicContact CG1-CD2 3.57Å
657	F	93.3	Very high	91.5	Very high	8 Å²	8	25.3 Å²	25.3	4%	0.035	15%	0.146	C	C	.	.	H	α-helix	trans	-57.1	-38.6	177.7	177.9	-108.5	0	0	0	112.1	D653 L692 T710 I711 T714	D653-F657 WeakPolarHBondContact O-CB 3.22Å; D653-F657 PolarHBondContact O-N 2.87Å; F657-L692 HydrophobicContact CD1-CD1 4.08Å; F657-L692 HydrophobicContact CE1-CD1 3.75Å; F657-T710 HydrophobicContact CE2-CG2 4.29Å; F657-T710 HydrophobicContact CZ-CG2 4.04Å; F657-I711 HydrophobicContact CB-CG1 4.36Å; F657-I711 HydrophobicContact CB-CG2 4.12Å; F657-I711 HydrophobicContact CD1-CD1 4.34Å; F657-I711 HydrophobicContact CD1-CG1 3.77Å; F657-I711 HydrophobicContact CD2-CG1 4.27Å; F657-I711 HydrophobicContact CE1-CG1 4.04Å; F657-I711 HydrophobicContact CG-CG1 3.88Å; F657-I711 HydrophobicContact CG-CG2 4.41Å; F657-I711 HydrophobicContact CZ-CG1 4.4Å; F657-T714 HydrophobicContact CD2-CG2 4.07Å; F657-T714 HydrophobicContact CE2-CG2 4Å
658	T	92.4	Very high	91.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-86.9	-42.7	-177	-53.1	0	0	0	0	113.3	F621 I654 L655 V656 N686 K687 L692	F621-T658 HydrophobicContact CE1-CG2 3.52Å; F621-T658 HydrophobicContact CZ-CG2 3.74Å; I654-T658 WeakPolarHBondContact O-CB 3.45Å; I654-T658 PolarHBondContact O-N 3.46Å; I654-T658 VanDerWaalsContact O-N 3.09Å; I654-T658 PolarHBondContact O-OG1 3.41Å; L655-T658 PolarHBondContact O-N 3.36Å; V656-T658 PolarHBondContact O-N 3.35Å; T658-N686 CarbonylContact O-C 3.56Å; T658-N686 VanDerWaalsContact O-C 3.26Å; T658-N686 VanDerWaalsContact O-O 3.1Å; T658-K687 VanDerWaalsContact O-CA 3.22Å; T658-K687 WeakPolarHBondContact O-CA 3.48Å; T658-K687 PolarHBondContact O-N 3.23Å; T658-L692 HydrophobicContact CG2-CB 4.09Å
659	T	91	Very high	91.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-118.4	-15.3	-165.1	70.4	0	0	0	0	113.5	L655 C661 F669 P673 N690	L655-T659 HydrophobicContact CD1-CG2 4.09Å; L655-T659 WeakPolarHBondContact O-CB 3.02Å; L655-T659 PolarHBondContact O-N 3.34Å; L655-T659 PolarHBondContact O-OG1 2.82Å; T659-C661 PolarHBondContact O-N 3.04Å; T659-C661 PolarHBondContact OG1-N 3.01Å; T659-C661 VanDerWaalsContact OG1-N 3.15Å; T659-F669 HydrophobicContact CG2-CD1 4.25Å; T659-F669 HydrophobicContact CG2-CE1 3.77Å; T659-F669 HydrophobicContact CG2-CE2 4.5Å; T659-F669 HydrophobicContact CG2-CZ 3.91Å; T659-P673 HydrophobicContact CG2-CG 4.45Å; T659-N690 HydrophobicContact CG2-CB 4.18Å
660	G	88.9	Confident	91	Very high	4 Å²	4	29.8 Å²	29.8	4%	0.041	16%	0.158	C	C	.	.	S	Bend	trans	75.5	-0.8	-170.3	0	0	0	0	0	114.2	E433 V656	E433-G660 WeakPolarHBondContact CA-O 3.46Å; V656-G660 VanDerWaalsContact O-CA 3.26Å; V656-G660 WeakPolarHBondContact O-CA 3.4Å; V656-G660 PolarHBondContact O-N 2.92Å
661	C	89.9	Confident	90.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.159	C	C	.	.			trans	-102.1	142.4	177.5	-67.1	0	0	0	0	112.1	T484 L655 V656 T659 S663 F669	T484-C661 HydrophobicContact CG2-CB 4.1Å; L655-C661 CarbonylContact C-O 3.52Å; L655-C661 WeakPolarHBondContact CG-O 3.46Å; V656-C661 WeakPolarHBondContact CA-O 3.46Å; V656-C661 WeakPolarHBondContact CG2-O 3.16Å; V656-C661 PolarHBondContact N-O 3.23Å; T659-C661 PolarHBondContact O-N 3.04Å; T659-C661 PolarHBondContact OG1-N 3.01Å; T659-C661 VanDerWaalsContact OG1-N 3.15Å; C661-S663 VanDerWaalsContact C-N 3.33Å; C661-S663 VanDerWaalsContact CB-O 3.29Å; C661-S663 WeakPolarHBondContact CB-O 3.44Å; C661-F669 HydrophobicContact CB-CE1 4.09Å; C661-F669 HydrophobicContact CB-CZ 4.28Å
662	R	87.3	Confident	90.6	Very high	106 Å²	106	32.5 Å²	32.5	40%	0.4	18%	0.178	S	C	.	.	S	Bend	trans	-80.7	-16.3	172.8	-64.7	175.2	174.5	-111.7	9.4	113.4	Q440 E652 V656	Q440-R662 VanDerWaalsContact NE2-NH2 3.17Å; E652-R662 HydrophobicContact CG-CB 4.01Å; E652-R662 HydrophobicContact CG-CG 4.24Å; E652-R662 WeakPolarHBondContact OE1-CB 3.35Å; E652-R662 VanDerWaalsContact OE1-CD 3.25Å; E652-R662 WeakPolarHBondContact OE1-CD 3.19Å; E652-R662 WeakPolarHBondContact OE1-CG 3.43Å; E652-R662 IonicContact OE1-CZ 3.1Å; E652-R662 IonicContact OE1-NE 2.6Å; E652-R662 IonicContact OE1-NH1 2.84Å; E652-R662 PolarHBondContact OE1-NH1 2.77Å; V656-R662 HydrophobicContact CG2-CB 4.33Å; V656-R662 HydrophobicContact CG2-CG 3.72Å
663	S	90.1	Very high	90.7	Very high	19 Å²	19	29 Å²	29	13%	0.133	16%	0.162	C	C	.	.	S	Bend	trans	-150	162.5	-178.9	60.9	0	0	0	0	110.3	P609 C661 P665	P609-S663 VanDerWaalsContact CG-CB 3.48Å; C661-S663 VanDerWaalsContact C-N 3.33Å; C661-S663 VanDerWaalsContact CB-O 3.29Å; C661-S663 WeakPolarHBondContact CB-O 3.44Å; S663-P665 WeakPolarHBondContact O-CD 3.49Å
664	V	90.9	Very high	90.7	Very high	50 Å²	50	28.6 Å²	28.6	30%	0.303	16%	0.161	S	C	.	.			trans	-68.8	124.2	176.7	-174.7	0	0	0	0	109.1	L612 L620 F669	L612-V664 HydrophobicContact CD1-CG2 4.24Å; L612-V664 HydrophobicContact CD2-CG2 4.2Å; L620-V664 HydrophobicContact CD1-CG2 3.71Å; L620-V664 HydrophobicContact CD2-CG2 4.32Å; V664-F669 HydrophobicContact CB-CE2 4.28Å; V664-F669 HydrophobicContact CG1-CD2 4.24Å; V664-F669 HydrophobicContact CG1-CE2 3.97Å; V664-F669 HydrophobicContact CG2-CE2 4.13Å
665	P	91.9	Very high	90.7	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.019	16%	0.162	C	C	.	.			trans	-56	141.6	174	-27.8	36.4	0	0	0	111.4	G482 S663 A667 G668 F669	G482-P665 WeakPolarHBondContact O-CB 3.26Å; S663-P665 WeakPolarHBondContact O-CD 3.49Å; P665-A667 PolarHBondContact O-N 3.4Å; P665-A667 VanDerWaalsContact O-N 3.12Å; P665-G668 WeakPolarHBondContact O-CA 3.33Å; P665-G668 PolarHBondContact O-N 3.39Å; P665-F669 VanDerWaalsContact CD-CE1 3.46Å; P665-F669 VanDerWaalsContact CD-CZ 3.45Å; P665-F669 HydrophobicContact CG-CD1 4.14Å; P665-F669 HydrophobicContact CG-CE1 3.94Å; P665-F669 HydrophobicContact CG-CZ 4.41Å
666	P	90.9	Very high	90.6	Very high	21 Å²	21	33.1 Å²	33.1	14%	0.136	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-24	-179.1	-23.8	32.8	0	0	0	114.4	I368 S369 L372 I604 G668	I368-P666 HydrophobicContact CG1-CB 4.27Å; I368-P666 HydrophobicContact CG2-CB 4.17Å; S369-P666 VanDerWaalsContact CA-O 3.31Å; S369-P666 WeakPolarHBondContact CA-O 3.46Å; S369-P666 WeakPolarHBondContact CB-O 3.49Å; L372-P666 HydrophobicContact CD1-CB 3.69Å; L372-P666 HydrophobicContact CD1-CG 4.46Å; I604-P666 HydrophobicContact CB-CG 4.18Å; I604-P666 HydrophobicContact CD1-CB 4.39Å; I604-P666 HydrophobicContact CD1-CG 4.24Å; I604-P666 HydrophobicContact CG2-CB 4Å; I604-P666 HydrophobicContact CG2-CG 3.94Å; P666-G668 VanDerWaalsContact C-N 3.31Å
667	A	89.1	Confident	90.6	Very high	15 Å²	15	33 Å²	33	12%	0.124	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-1.7	173.7	0	0	0	0	0	113.8	L372 P665	L372-A667 HydrophobicContact CB-CB 3.99Å; L372-A667 HydrophobicContact CD1-CB 4.28Å; P665-A667 PolarHBondContact O-N 3.4Å; P665-A667 VanDerWaalsContact O-N 3.12Å
668	G	89.4	Confident	90.3	Very high	27 Å²	27	35.6 Å²	35.6	28%	0.278	20%	0.196	S	C	.	.			trans	76	166	-169.8	0	0	0	0	0	113.6	P665 P666	P665-G668 WeakPolarHBondContact O-CA 3.33Å; P665-G668 PolarHBondContact O-N 3.39Å; P666-G668 VanDerWaalsContact C-N 3.31Å
669	F	88.7	Confident	90.1	Very high	17 Å²	17	44.1 Å²	44.1	8%	0.075	24%	0.236	C	C	.	.			trans	-73.4	140	176.7	-72.1	-70.2	0	0	0	112.1	L655 T659 C661 V664 P665 P671 P673	L655-F669 HydrophobicContact CD1-CE2 4.06Å; L655-F669 HydrophobicContact CD1-CZ 3.86Å; L655-F669 HydrophobicContact CD2-CZ 4.48Å; L655-F669 HydrophobicContact CG-CZ 4.37Å; T659-F669 HydrophobicContact CG2-CD1 4.25Å; T659-F669 HydrophobicContact CG2-CE1 3.77Å; T659-F669 HydrophobicContact CG2-CE2 4.5Å; T659-F669 HydrophobicContact CG2-CZ 3.91Å; C661-F669 HydrophobicContact CB-CE1 4.09Å; C661-F669 HydrophobicContact CB-CZ 4.28Å; V664-F669 HydrophobicContact CB-CE2 4.28Å; V664-F669 HydrophobicContact CG1-CD2 4.24Å; V664-F669 HydrophobicContact CG1-CE2 3.97Å; V664-F669 HydrophobicContact CG2-CE2 4.13Å; P665-F669 VanDerWaalsContact CD-CE1 3.46Å; P665-F669 VanDerWaalsContact CD-CZ 3.45Å; P665-F669 HydrophobicContact CG-CD1 4.14Å; P665-F669 HydrophobicContact CG-CE1 3.94Å; P665-F669 HydrophobicContact CG-CZ 4.41Å; F669-P671 CarbonylContact C-O 3.53Å; F669-P673 HydrophobicContact CB-CG 4.07Å; F669-P673 HydrophobicContact CD2-CG 3.54Å; F669-P673 HydrophobicContact CE2-CG 4.15Å; F669-P673 HydrophobicContact CG-CG 3.86Å
670	K	84.9	Confident	89.9	Confident	139 Å²	139	46.6 Å²	46.6	60%	0.604	25%	0.248	S	C	*	.	S	Bend	trans	-136.1	114.1	171.5	-66.2	-174.3	-179.1	-177.4	0	110.1	L373	L373-K670 VanDerWaalsContact CD2-CE 3.49Å
671	P	87.9	Confident	89.7	Confident	65 Å²	65	51.3 Å²	51.3	42%	0.422	27%	0.272	S	S	.	.	S	Bend	cis	-64.4	161.5	-5.9	30.7	-37	0	0	0	112.8	F669 S689 N690	F669-P671 CarbonylContact C-O 3.53Å; P671-S689 WeakPolarHBondContact CG-O 3.32Å; P671-N690 PolarHBondContact O-ND2 2.96Å
672	P	89.9	Confident	89.8	Confident	80 Å²	80	56.3 Å²	56.3	52%	0.519	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-58.6	148.3	172.5	-21.2	32.9	0	0	0	111.4
673	P	94.5	Very high	90.1	Very high	5 Å²	5	51.4 Å²	51.4	3%	0.032	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-62.4	144.5	178.6	-21.6	34.5	0	0	0	111.7	L620 F621 T622 T659 F669 N690	L620-P673 WeakPolarHBondContact O-CD 3.44Å; F621-P673 WeakPolarHBondContact CA-O 3.45Å; F621-P673 HydrophobicContact CD1-CB 3.67Å; F621-P673 HydrophobicContact CE1-CB 3.78Å; F621-P673 HydrophobicContact CG-CB 4.1Å; F621-P673 HydrophobicContact CZ-CB 4.22Å; T622-P673 PolarHBondContact N-O 3.38Å; T622-P673 PolarHBondContact OG1-O 3.17Å; T622-P673 VanDerWaalsContact OG1-O 3.05Å; T659-P673 HydrophobicContact CG2-CG 4.45Å; F669-P673 HydrophobicContact CB-CG 4.07Å; F669-P673 HydrophobicContact CD2-CG 3.54Å; F669-P673 HydrophobicContact CE2-CG 4.15Å; F669-P673 HydrophobicContact CG-CG 3.86Å; P673-N690 CarbonylContact C-O 3.54Å; P673-N690 WeakPolarHBondContact CA-O 3.34Å; P673-N690 HydrophobicContact CB-CB 4.46Å
674	S	94.1	Very high	90.3	Very high	15 Å²	15	54.2 Å²	54.2	11%	0.105	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	151.9	-177.8	67.9	0	0	0	0	113.4	T622 H624 N690 S691 L692	T622-S674 CarbonylContact O-C 3.26Å; T622-S674 WeakPolarHBondContact O-CA 3.45Å; T622-S674 WeakPolarHBondContact O-CB 3.46Å; H624-S674 WeakPolarHBondContact CD2-CB 3.49Å; S674-N690 PolarHBondContact N-O 3.1Å; S674-S691 CarbonylContact O-C 3.54Å; S674-S691 WeakPolarHBondContact O-CA 3.45Å; S674-S691 WeakPolarHBondContact OG-CB 3.49Å; S674-L692 PolarHBondContact O-N 2.88Å
675	I	94.5	Very high	90.3	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.01	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	137.1	174.5	-73.4	167.1	0	0	0	109.6	F621 T622 H624 L632 W635 L692 L694	F621-I675 HydrophobicContact CB-CD1 3.57Å; F621-I675 HydrophobicContact CB-CG1 3.85Å; F621-I675 HydrophobicContact CD1-CD1 4.03Å; F621-I675 HydrophobicContact CD1-CG1 3.6Å; F621-I675 HydrophobicContact CE1-CG1 4.34Å; F621-I675 HydrophobicContact CG-CD1 3.85Å; F621-I675 HydrophobicContact CG-CG1 3.93Å; T622-I675 PolarHBondContact O-N 3.43Å; H624-I675 PolarHBondContact N-O 3.08Å; L632-I675 HydrophobicContact CD2-CG2 4.22Å; W635-I675 HydrophobicContact CD2-CD1 4.19Å; W635-I675 HydrophobicContact CG-CD1 4.32Å; W635-I675 HydrophobicContact CZ2-CD1 3.92Å; W635-I675 VanDerWaalsContact NE1-CD1 3.34Å; I675-L692 WeakPolarHBondContact CA-O 3.23Å; I675-L692 HydrophobicContact CG1-CB 4.31Å; I675-L694 HydrophobicContact CD1-CD1 4.46Å; I675-L694 HydrophobicContact CG2-CD1 3.55Å; I675-L694 HydrophobicContact CG2-CG 3.96Å
676	E	91.8	Very high	90.2	Very high	95 Å²	95	56.1 Å²	56.1	44%	0.444	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	142.4	169.2	-172.2	173.3	-161.4	0	0	109.3	L678 L692 A693 L694	E676-L678 HydrophobicContact CG-CD2 3.82Å; E676-L678 HydrophobicContact CG-CG 4.02Å; E676-L692 PolarHBondContact N-O 3.28Å; E676-A693 CarbonylContact O-C 3.48Å; E676-A693 WeakPolarHBondContact O-CA 3.38Å; E676-L694 PolarHBondContact O-N 2.99Å
677	C	90.7	Very high	90.1	Very high	22 Å²	22	56.2 Å²	56.2	15%	0.149	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	119.6	176.8	-61.3	0	0	0	0	109.1	D628 I696	D628-C677 HydrophobicContact CB-CB 4.19Å; C677-I696 HydrophobicContact CB-CD1 4.22Å; C677-I696 HydrophobicContact CB-CG1 4.08Å
678	L	87.8	Confident	89.8	Confident	63 Å²	63	59.2 Å²	59.2	33%	0.33	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	153.3	-173.8	-62.8	-179	0	0	0	111.7	E676 M680 A693 L694 I696	E676-L678 HydrophobicContact CG-CD2 3.82Å; E676-L678 HydrophobicContact CG-CG 4.02Å; L678-M680 VanDerWaalsContact C-N 3.35Å; L678-M680 HydrophobicContact CB-CG 4.2Å; L678-M680 HydrophobicContact CB-SD 3.68Å; L678-M680 HydrophobicContact CD1-SD 4.08Å; L678-M680 HydrophobicContact CG-SD 4.42Å; L678-M680 PolarHBondContact O-N 3.06Å; L678-A693 HydrophobicContact CD1-CB 3.84Å; L678-A693 HydrophobicContact CG-CB 4.41Å; L678-L694 PolarHBondContact N-O 3.33Å; L678-I696 WeakPolarHBondContact O-CG1 3.45Å; L678-I696 PolarHBondContact O-N 2.86Å
679	H	87	Confident	89.7	Confident	178 Å²	178	60 Å²	60	82%	0.824	32%	0.324	S	S	*	.	S	Bend	trans	-77.8	85.8	172.1	-74.1	70.5	0	0	0	109.5
680	M	86.9	Confident	89.9	Confident	53 Å²	53	59.2 Å²	59.2	26%	0.261	32%	0.321	S	S	.	.			trans	-148	161.1	-178.4	63.6	-162.8	-64.3	0	0	110.4	L678 F682 V684 A693 P695	L678-M680 VanDerWaalsContact C-N 3.35Å; L678-M680 HydrophobicContact CB-CG 4.2Å; L678-M680 HydrophobicContact CB-SD 3.68Å; L678-M680 HydrophobicContact CD1-SD 4.08Å; L678-M680 HydrophobicContact CG-SD 4.42Å; L678-M680 PolarHBondContact O-N 3.06Å; M680-F682 WeakPolarHBondContact CE-O 3.1Å; M680-F682 WeakPolarHBondContact CG-O 3.5Å; M680-V684 HydrophobicContact CE-CB 3.8Å; M680-V684 HydrophobicContact CE-CG2 3.29Å; M680-A693 HydrophobicContact CE-CB 4.44Å; M680-A693 HydrophobicContact SD-CB 3.86Å; M680-P695 HydrophobicContact CG-CB 4.01Å; M680-P695 WeakPolarHBondContact O-CB 3.39Å
681	D	84.8	Confident	90.2	Very high	103 Å²	103	53.8 Å²	53.8	55%	0.551	30%	0.3	S	S	*	.	S	Bend	trans	-82.8	-34.5	-177.7	-73.7	-49	0	0	0	113.3	N706	D681-N706 PolarHBondContact O-ND2 3.02Å
682	F	92	Very high	90.6	Very high	105 Å²	105	50.8 Å²	50.8	46%	0.461	28%	0.281	S	S	.	.	S	Bend	trans	-126.4	149.6	-173.3	-61.8	-76	0	0	0	110.7	M680 N706 T710	M680-F682 WeakPolarHBondContact CE-O 3.1Å; M680-F682 WeakPolarHBondContact CG-O 3.5Å; F682-N706 HydrophobicContact CD1-CB 4.13Å; F682-T710 HydrophobicContact CB-CG2 4.47Å; F682-T710 VanDerWaalsContact CD1-OG1 3.28Å; F682-T710 WeakPolarHBondContact CD1-OG1 3.33Å
683	P	94.4	Very high	90.8	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.013	26%	0.26	C	S	.	.			trans	-67.5	153.1	175.1	32.3	-38.9	0	0	0	111.8	L692 A693 M707 T710	P683-L692 HydrophobicContact CB-CD1 4.41Å; P683-A693 WeakPolarHBondContact CA-O 3.41Å; P683-A693 WeakPolarHBondContact CB-O 3.26Å; P683-M707 HydrophobicContact CB-SD 3.55Å; P683-M707 VanDerWaalsContact CB-SD 3.55Å; P683-M707 HydrophobicContact CG-SD 3.59Å; P683-M707 VanDerWaalsContact CG-SD 3.59Å; P683-T710 HydrophobicContact CG-CG2 3.94Å; P683-T710 WeakPolarHBondContact O-CG2 3.43Å
684	V	93.3	Very high	90.8	Very high	78 Å²	78	47.2 Å²	47.2	47%	0.473	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	121.5	174.5	167.1	0	0	0	0	109.8	M680 A693	M680-V684 HydrophobicContact CE-CB 3.8Å; M680-V684 HydrophobicContact CE-CG2 3.29Å; V684-A693 HydrophobicContact CB-CB 4.24Å; V684-A693 PolarHBondContact N-O 3.36Å; V684-A693 PolarHBondContact O-N 2.85Å
685	G	91.3	Very high	90.7	Very high	21 Å²	21	46.5 Å²	46.5	22%	0.216	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	129.3	171.8	0	0	0	0	0	110.6
686	N	89.6	Confident	90.5	Very high	72 Å²	72	48.6 Å²	48.6	39%	0.385	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	101.5	174.9	-175.2	-26	0	0	0	110.4	T658 C688 S689 N690 S691	T658-N686 CarbonylContact O-C 3.56Å; T658-N686 VanDerWaalsContact O-C 3.26Å; T658-N686 VanDerWaalsContact O-O 3.1Å; N686-C688 PolarHBondContact O-N 2.76Å; N686-C688 WeakPolarHBondContact OD1-CB 3.49Å; N686-C688 PolarHBondContact OD1-N 2.91Å; N686-S689 WeakPolarHBondContact CB-OG 3.44Å; N686-S689 PolarHBondContact ND2-OG 2.92Å; N686-S689 PolarHBondContact O-N 3.43Å; N686-S689 PolarHBondContact OD1-N 3.29Å; N686-S689 PolarHBondContact OD1-OG 3.19Å; N686-N690 WeakPolarHBondContact O-CA 3.39Å; N686-N690 PolarHBondContact O-N 2.78Å; N686-S691 WeakPolarHBondContact CB-OG 3.32Å; N686-S691 PolarHBondContact N-O 3.42Å; N686-S691 PolarHBondContact O-N 3.12Å; N686-S691 VanDerWaalsContact O-N 3.15Å
687	K	89.3	Confident	90.4	Very high	23 Å²	23	44.7 Å²	44.7	10%	0.1	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-17.2	-178.7	-57.7	174.6	177.4	172.5	0	114.6	S430 E433 V656 T658 N690 E718	S430-K687 WeakPolarHBondContact CB-O 3.27Å; S430-K687 PolarHBondContact OG-O 3.18Å; E433-K687 IonicContact OE1-NZ 3.67Å; E433-K687 PolarHBondContact OE1-NZ 3.4Å; V656-K687 WeakPolarHBondContact O-CE 3.39Å; T658-K687 VanDerWaalsContact O-CA 3.22Å; T658-K687 WeakPolarHBondContact O-CA 3.48Å; T658-K687 PolarHBondContact O-N 3.23Å; K687-N690 PolarHBondContact O-OD1 2.91Å; K687-E718 IonicContact NZ-OE1 3.8Å; K687-E718 PolarHBondContact NZ-OE1 2.82Å; K687-E718 IonicContact NZ-OE2 3.59Å; K687-E718 PolarHBondContact NZ-OE2 3.19Å
688	C	84.1	Confident	90.3	Very high	79 Å²	79	50.1 Å²	50.1	53%	0.534	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-36.8	179	-69.3	0	0	0	0	111.9	N686	N686-C688 PolarHBondContact O-N 2.76Å; N686-C688 WeakPolarHBondContact OD1-CB 3.49Å; N686-C688 PolarHBondContact OD1-N 2.91Å
689	S	87.1	Confident	90.5	Very high	42 Å²	42	50.7 Å²	50.7	29%	0.294	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-1.5	177.3	49.2	0	0	0	0	113.8	P671 N686 S691	P671-S689 WeakPolarHBondContact CG-O 3.32Å; N686-S689 WeakPolarHBondContact CB-OG 3.44Å; N686-S689 PolarHBondContact ND2-OG 2.92Å; N686-S689 PolarHBondContact O-N 3.43Å; N686-S689 PolarHBondContact OD1-N 3.29Å; N686-S689 PolarHBondContact OD1-OG 3.19Å; S689-S691 PolarHBondContact O-N 3.48Å; S689-S691 PolarHBondContact OG-OG 3.18Å
690	N	91.5	Very high	90.9	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	36.6	-172	-57.4	-36.2	0	0	0	112.2	Q432 T659 P671 P673 S674 N686 K687	Q432-N690 PolarHBondContact NE2-ND2 3.5Å; T659-N690 HydrophobicContact CG2-CB 4.18Å; P671-N690 PolarHBondContact O-ND2 2.96Å; P673-N690 CarbonylContact C-O 3.54Å; P673-N690 WeakPolarHBondContact CA-O 3.34Å; P673-N690 HydrophobicContact CB-CB 4.46Å; S674-N690 PolarHBondContact N-O 3.1Å; N686-N690 WeakPolarHBondContact O-CA 3.39Å; N686-N690 PolarHBondContact O-N 2.78Å; K687-N690 PolarHBondContact O-OD1 2.91Å
691	S	92.4	Very high	91.2	Very high	26 Å²	26	49.5 Å²	49.5	18%	0.182	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	138.1	-173.9	63.2	0	0	0	0	112.1	S674 N686 S689	S674-S691 CarbonylContact O-C 3.54Å; S674-S691 WeakPolarHBondContact O-CA 3.45Å; S674-S691 WeakPolarHBondContact OG-CB 3.49Å; N686-S691 WeakPolarHBondContact CB-OG 3.32Å; N686-S691 PolarHBondContact N-O 3.42Å; N686-S691 PolarHBondContact O-N 3.12Å; N686-S691 VanDerWaalsContact O-N 3.15Å; S689-S691 PolarHBondContact O-N 3.48Å; S689-S691 PolarHBondContact OG-OG 3.18Å
692	L	95.1	Very high	91.6	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	114	174.4	179.4	60.7	0	0	0	109.5	F621 W635 F657 T658 S674 I675 E676 P683 L694	F621-L692 HydrophobicContact CE1-CB 3.97Å; W635-L692 HydrophobicContact CE3-CD2 4.47Å; W635-L692 HydrophobicContact CH2-CD2 3.65Å; W635-L692 HydrophobicContact CZ2-CD2 4.34Å; W635-L692 HydrophobicContact CZ3-CD2 3.75Å; F657-L692 HydrophobicContact CD1-CD1 4.08Å; F657-L692 HydrophobicContact CE1-CD1 3.75Å; T658-L692 HydrophobicContact CG2-CB 4.09Å; S674-L692 PolarHBondContact O-N 2.88Å; I675-L692 WeakPolarHBondContact CA-O 3.23Å; I675-L692 HydrophobicContact CG1-CB 4.31Å; E676-L692 PolarHBondContact N-O 3.28Å; P683-L692 HydrophobicContact CB-CD1 4.41Å; L692-L694 HydrophobicContact CD1-CD2 4.45Å; L692-L694 HydrophobicContact CD2-CD2 3.77Å; L692-L694 HydrophobicContact CG-CD2 3.83Å; L692-L694 HydrophobicContact CG-CG 4.35Å
693	A	94.1	Very high	91.7	Very high	10 Å²	10	44.1 Å²	44.1	8%	0.083	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	121.4	169	0	0	0	0	0	109.4	E676 L678 M680 P683 V684	E676-A693 CarbonylContact O-C 3.48Å; E676-A693 WeakPolarHBondContact O-CA 3.38Å; L678-A693 HydrophobicContact CD1-CB 3.84Å; L678-A693 HydrophobicContact CG-CB 4.41Å; M680-A693 HydrophobicContact CE-CB 4.44Å; M680-A693 HydrophobicContact SD-CB 3.86Å; P683-A693 WeakPolarHBondContact CA-O 3.41Å; P683-A693 WeakPolarHBondContact CB-O 3.26Å; V684-A693 HydrophobicContact CB-CB 4.24Å; V684-A693 PolarHBondContact N-O 3.36Å; V684-A693 PolarHBondContact O-N 2.85Å
694	L	94.3	Very high	91.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	136.5	177.8	-64.6	-179.4	0	0	0	110.6	T631 W635 I675 E676 L678 L692 F703 M707	T631-L694 HydrophobicContact CG2-CB 3.74Å; T631-L694 HydrophobicContact CG2-CD1 4.21Å; W635-L694 HydrophobicContact CB-CD1 3.82Å; W635-L694 HydrophobicContact CD2-CD1 4.23Å; W635-L694 HydrophobicContact CE3-CD1 4.37Å; W635-L694 HydrophobicContact CE3-CD2 4.12Å; W635-L694 HydrophobicContact CG-CD1 4.01Å; W635-L694 HydrophobicContact CZ3-CD2 4.49Å; I675-L694 HydrophobicContact CD1-CD1 4.46Å; I675-L694 HydrophobicContact CG2-CD1 3.55Å; I675-L694 HydrophobicContact CG2-CG 3.96Å; E676-L694 PolarHBondContact O-N 2.99Å; L678-L694 PolarHBondContact N-O 3.33Å; L692-L694 HydrophobicContact CD1-CD2 4.45Å; L692-L694 HydrophobicContact CD2-CD2 3.77Å; L692-L694 HydrophobicContact CG-CD2 3.83Å; L692-L694 HydrophobicContact CG-CG 4.35Å; L694-F703 HydrophobicContact CB-CE2 4.46Å; L694-F703 HydrophobicContact CD2-CE2 4.5Å; L694-F703 HydrophobicContact CD2-CZ 4.15Å; L694-M707 HydrophobicContact CD2-CE 4.01Å; L694-M707 HydrophobicContact CD2-SD 3.9Å
695	P	92.3	Very high	91.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	130.9	178.7	32.2	-35.4	0	0	0	111.2	M680 I697 F703	M680-P695 HydrophobicContact CG-CB 4.01Å; M680-P695 WeakPolarHBondContact O-CB 3.39Å; P695-I697 HydrophobicContact CB-CD1 3.74Å; P695-I697 HydrophobicContact CB-CG1 3.93Å; P695-I697 HydrophobicContact CG-CD1 3.64Å; P695-I697 HydrophobicContact CG-CG1 4.26Å; P695-I697 PolarHBondContact O-N 3.35Å; P695-F703 HydrophobicContact CG-CD2 4.28Å; P695-F703 HydrophobicContact CG-CE2 4.34Å
696	I	89.9	Confident	92	Very high	46 Å²	46	46.2 Å²	46.2	24%	0.236	24%	0.24	C	C	.	.			trans	-76.5	104.4	172.7	-62.9	168.6	0	0	0	108.7	D628 C677 L678	D628-I696 HydrophobicContact CB-CD1 4.49Å; D628-I696 HydrophobicContact CB-CG1 4.39Å; C677-I696 HydrophobicContact CB-CD1 4.22Å; C677-I696 HydrophobicContact CB-CG1 4.08Å; L678-I696 WeakPolarHBondContact O-CG1 3.45Å; L678-I696 PolarHBondContact O-N 2.86Å
697	I	90.3	Very high	92.3	Very high	14 Å²	14	42.8 Å²	42.8	7%	0.072	22%	0.222	C	C	.	.			trans	-129	149.1	-174.6	-59.3	172.1	0	0	0	110.2	F634 P695 K702 N706	F634-I697 WeakPolarHBondContact CE2-O 3.2Å; P695-I697 HydrophobicContact CB-CD1 3.74Å; P695-I697 HydrophobicContact CB-CG1 3.93Å; P695-I697 HydrophobicContact CG-CD1 3.64Å; P695-I697 HydrophobicContact CG-CG1 4.26Å; P695-I697 PolarHBondContact O-N 3.35Å; I697-K702 HydrophobicContact CD1-CG 4.49Å; I697-K702 HydrophobicContact CG2-CB 3.93Å; I697-K702 HydrophobicContact CG2-CD 3.87Å; I697-K702 HydrophobicContact CG2-CG 3.98Å; I697-N706 HydrophobicContact CD1-CB 4.49Å; I697-N706 WeakPolarHBondContact CD1-ND2 3.36Å
698	N	87.8	Confident	92.5	Very high	135 Å²	135	42.7 Å²	42.7	72%	0.722	22%	0.222	S	C	*	.	S	Bend	trans	-80.3	-17.4	-173.6	-61.1	-14.9	0	0	0	114.7	Q630	Q630-N698 PolarHBondContact NE2-O 2.85Å
699	T	93.3	Very high	93	Very high	75 Å²	75	43.5 Å²	43.5	46%	0.46	22%	0.221	S	C	.	.			trans	-132.6	141	-176.1	68.5	0	0	0	0	112.5	F634 K701 K702 F703	F634-T699 VanDerWaalsContact CE2-C 3.46Å; T699-K701 VanDerWaalsContact C-N 3.35Å; T699-K701 PolarHBondContact O-N 3.44Å; T699-K702 PolarHBondContact O-N 2.59Å; T699-K702 WeakPolarHBondContact OG1-CB 3.45Å; T699-F703 PolarHBondContact O-N 3.05Å; T699-F703 VanDerWaalsContact O-N 3.13Å
700	Y	94.4	Very high	93.4	Very high	65 Å²	65	42.6 Å²	42.6	26%	0.255	21%	0.214	S	C	.	.	H	α-helix	trans	-63.2	-39.4	179.4	176.5	-108.3	0	0	0	112.5	F634 S637 Y638 A641 K702 F703 Q704	F634-Y700 HydrophobicContact CB-CD2 4.01Å; F634-Y700 AromaticContact CD1-CD2 3.82Å; F634-Y700 HydrophobicContact CD1-CD2 3.82Å; F634-Y700 HydrophobicContact CD1-CG 4.28Å; F634-Y700 HydrophobicContact CG-CD2 4.03Å; F634-Y700 VanDerWaalsContact CZ-N 3.31Å; S637-Y700 VanDerWaalsContact CB-CE2 3.46Å; S637-Y700 PolarHBondContact O-OH 3.39Å; Y638-Y700 WeakPolarHBondContact CA-OH 3.25Å; Y638-Y700 PolarHBondContact N-OH 2.76Å; A641-Y700 WeakPolarHBondContact CB-OH 3.38Å; Y700-K702 PolarHBondContact O-N 3.28Å; Y700-F703 WeakPolarHBondContact O-CB 3.2Å; Y700-F703 PolarHBondContact O-N 3.09Å; Y700-Q704 PolarHBondContact O-N 2.96Å
701	K	94.1	Very high	93.5	Very high	142 Å²	142	42.5 Å²	42.5	62%	0.617	21%	0.213	S	C	*	.	H	α-helix	trans	-58.8	-49.1	-179.8	-177	177.8	174.2	-179.8	0	111.8	T699 F703 Q704 E705	T699-K701 VanDerWaalsContact C-N 3.35Å; T699-K701 PolarHBondContact O-N 3.44Å; K701-F703 VanDerWaalsContact C-N 3.32Å; K701-F703 PolarHBondContact O-N 2.64Å; K701-Q704 PolarHBondContact O-N 3.03Å; K701-E705 WeakPolarHBondContact CE-OE1 2.76Å; K701-E705 IonicContact NZ-OE1 3.98Å; K701-E705 WeakPolarHBondContact O-CG 3.31Å; K701-E705 PolarHBondContact O-N 2.91Å
702	K	93.6	Very high	93.5	Very high	95 Å²	95	44.8 Å²	44.8	41%	0.413	22%	0.22	S	C	.	.	H	α-helix	trans	-66	-37.4	177.8	-174.1	176.9	177.8	-172.7	0	111.4	I697 T699 Y700 N706	I697-K702 HydrophobicContact CD1-CG 4.49Å; I697-K702 HydrophobicContact CG2-CB 3.93Å; I697-K702 HydrophobicContact CG2-CD 3.87Å; I697-K702 HydrophobicContact CG2-CG 3.98Å; T699-K702 PolarHBondContact O-N 2.59Å; T699-K702 WeakPolarHBondContact OG1-CB 3.45Å; Y700-K702 PolarHBondContact O-N 3.28Å; K702-N706 WeakPolarHBondContact O-CB 3.42Å; K702-N706 PolarHBondContact O-N 3.31Å; K702-N706 PolarHBondContact O-OD1 3.11Å
703	F	94.6	Very high	93.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-58.8	-50.9	173.4	-179.7	-88.1	0	0	0	111.6	T631 F634 W635 Y638 L694 P695 T699 Y700 K701 N706 M707	T631-F703 HydrophobicContact CG2-CE2 4Å; F634-F703 HydrophobicContact CB-CB 4.42Å; F634-F703 HydrophobicContact CB-CD1 3.74Å; F634-F703 HydrophobicContact CB-CD2 4.16Å; F634-F703 HydrophobicContact CB-CE1 3.97Å; F634-F703 HydrophobicContact CB-CE2 4.37Å; F634-F703 HydrophobicContact CB-CG 3.84Å; F634-F703 HydrophobicContact CB-CZ 4.28Å; F634-F703 HydrophobicContact CD2-CB 4.03Å; F634-F703 HydrophobicContact CD2-CD2 4.35Å; F634-F703 HydrophobicContact CD2-CG 4.18Å; F634-F703 HydrophobicContact CG-CG 4.43Å; W635-F703 HydrophobicContact CB-CZ 4.45Å; Y638-F703 HydrophobicContact CG-CE1 4.23Å; L694-F703 HydrophobicContact CB-CE2 4.46Å; L694-F703 HydrophobicContact CD2-CE2 4.5Å; L694-F703 HydrophobicContact CD2-CZ 4.15Å; P695-F703 HydrophobicContact CG-CD2 4.28Å; P695-F703 HydrophobicContact CG-CE2 4.34Å; T699-F703 PolarHBondContact O-N 3.05Å; T699-F703 VanDerWaalsContact O-N 3.13Å; Y700-F703 WeakPolarHBondContact O-CB 3.2Å; Y700-F703 PolarHBondContact O-N 3.09Å; K701-F703 VanDerWaalsContact C-N 3.32Å; K701-F703 PolarHBondContact O-N 2.64Å; F703-N706 PolarHBondContact O-N 3.44Å; F703-M707 HydrophobicContact CD1-CG 4.05Å; F703-M707 HydrophobicContact CE1-CG 3.75Å; F703-M707 HydrophobicContact CE1-SD 4.41Å; F703-M707 HydrophobicContact CZ-CG 4Å; F703-M707 HydrophobicContact CZ-SD 4.1Å; F703-M707 WeakPolarHBondContact O-CG 2.93Å; F703-M707 PolarHBondContact O-N 3.03Å
704	Q	94.9	Very high	93	Very high	39 Å²	39	49.3 Å²	49.3	18%	0.182	25%	0.245	C	C	.	.	H	α-helix	trans	-61.2	-46.6	178.7	178.6	175.6	15.3	0	0	112.3	Y638 Y700 K701 N706 M707 D708	Y638-Q704 HydrophobicContact CD2-CB 4.18Å; Y638-Q704 HydrophobicContact CD2-CG 3.91Å; Y638-Q704 HydrophobicContact CE2-CG 4Å; Y700-Q704 PolarHBondContact O-N 2.96Å; K701-Q704 PolarHBondContact O-N 3.03Å; Q704-N706 PolarHBondContact O-N 2.73Å; Q704-M707 PolarHBondContact O-N 3.08Å; Q704-D708 WeakPolarHBondContact O-CB 3.46Å; Q704-D708 PolarHBondContact O-N 3Å
705	E	94.1	Very high	92.6	Very high	91 Å²	91	50 Å²	50	43%	0.425	25%	0.248	S	C	.	.	H	α-helix	trans	-58.6	-46.5	177.9	-74	168.9	177.6	0	0	111.4	K701 M707 D708 L709	K701-E705 WeakPolarHBondContact CE-OE1 2.76Å; K701-E705 IonicContact NZ-OE1 3.98Å; K701-E705 WeakPolarHBondContact O-CG 3.31Å; K701-E705 PolarHBondContact O-N 2.91Å; E705-M707 PolarHBondContact O-N 3.11Å; E705-D708 PolarHBondContact O-N 3.04Å; E705-L709 WeakPolarHBondContact O-CB 3.27Å; E705-L709 WeakPolarHBondContact O-CD1 3.37Å; E705-L709 WeakPolarHBondContact O-CG 3.4Å; E705-L709 PolarHBondContact O-N 2.9Å
706	N	94.5	Very high	92.3	Very high	14 Å²	14	55.9 Å²	55.9	8%	0.075	27%	0.27	C	S	.	.	H	α-helix	trans	-66.1	-38.8	179	-70.7	3.3	0	0	0	111.9	D681 F682 I697 K702 F703 Q704 T710	D681-N706 PolarHBondContact O-ND2 3.02Å; F682-N706 HydrophobicContact CD1-CB 4.13Å; I697-N706 HydrophobicContact CD1-CB 4.49Å; I697-N706 WeakPolarHBondContact CD1-ND2 3.36Å; K702-N706 WeakPolarHBondContact O-CB 3.42Å; K702-N706 PolarHBondContact O-N 3.31Å; K702-N706 PolarHBondContact O-OD1 3.11Å; F703-N706 PolarHBondContact O-N 3.44Å; Q704-N706 PolarHBondContact O-N 2.73Å; N706-T710 VanDerWaalsContact O-CB 3.3Å; N706-T710 WeakPolarHBondContact O-CB 3.49Å; N706-T710 PolarHBondContact O-N 3.15Å; N706-T710 VanDerWaalsContact O-N 3.11Å; N706-T710 PolarHBondContact O-OG1 3.44Å
707	M	95.8	Very high	91.7	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-62.5	-49.2	175.2	-69.2	-69.9	-64.3	0	0	111.9	W635 Y638 P683 L694 F703 Q704 E705 I711	W635-M707 HydrophobicContact CE3-CE 4.2Å; W635-M707 HydrophobicContact CZ3-CE 3.79Å; Y638-M707 HydrophobicContact CD1-CB 4.44Å; Y638-M707 HydrophobicContact CD1-CE 4Å; Y638-M707 HydrophobicContact CD1-CG 4.45Å; Y638-M707 HydrophobicContact CD2-CB 4.22Å; Y638-M707 HydrophobicContact CE1-CB 3.89Å; Y638-M707 HydrophobicContact CE1-CE 3.71Å; Y638-M707 HydrophobicContact CE1-CG 4.31Å; Y638-M707 HydrophobicContact CE2-CB 3.65Å; Y638-M707 HydrophobicContact CE2-CG 4.43Å; Y638-M707 VanDerWaalsContact CZ-CB 3.46Å; P683-M707 HydrophobicContact CB-SD 3.55Å; P683-M707 VanDerWaalsContact CB-SD 3.55Å; P683-M707 HydrophobicContact CG-SD 3.59Å; P683-M707 VanDerWaalsContact CG-SD 3.59Å; L694-M707 HydrophobicContact CD2-CE 4.01Å; L694-M707 HydrophobicContact CD2-SD 3.9Å; F703-M707 HydrophobicContact CD1-CG 4.05Å; F703-M707 HydrophobicContact CE1-CG 3.75Å; F703-M707 HydrophobicContact CE1-SD 4.41Å; F703-M707 HydrophobicContact CZ-CG 4Å; F703-M707 HydrophobicContact CZ-SD 4.1Å; F703-M707 WeakPolarHBondContact O-CG 2.93Å; F703-M707 PolarHBondContact O-N 3.03Å; Q704-M707 PolarHBondContact O-N 3.08Å; E705-M707 PolarHBondContact O-N 3.11Å; M707-I711 HydrophobicContact CE-CD1 4.04Å; M707-I711 WeakPolarHBondContact O-CB 3.28Å; M707-I711 VanDerWaalsContact O-CG1 3.27Å; M707-I711 WeakPolarHBondContact O-CG1 3.26Å; M707-I711 PolarHBondContact O-N 3.47Å; M707-I711 VanDerWaalsContact O-N 3.08Å
708	D	95.3	Very high	90.9	Very high	21 Å²	21	61 Å²	61	11%	0.112	30%	0.295	C	S	.	.	H	α-helix	trans	-65.3	-46.4	-177.3	-79.6	-12.1	0	0	0	112.5	Y638 S647 A648 T649 Q704 E705 K712	Y638-D708 VanDerWaalsContact CE2-OD1 3.31Å; Y638-D708 WeakPolarHBondContact CE2-OD1 3.31Å; Y638-D708 PolarHBondContact OH-OD1 3.27Å; S647-D708 VanDerWaalsContact OG-CG 3.24Å; S647-D708 PolarHBondContact OG-OD1 3.23Å; S647-D708 PolarHBondContact OG-OD2 3.32Å; S647-D708 VanDerWaalsContact OG-OD2 3.05Å; A648-D708 HydrophobicContact CB-CB 4.27Å; A648-D708 PolarHBondContact N-OD2 3.28Å; A648-D708 VanDerWaalsContact N-OD2 3.11Å; T649-D708 WeakPolarHBondContact CB-OD1 3.34Å; T649-D708 WeakPolarHBondContact OG1-CA 3.29Å; T649-D708 PolarHBondContact OG1-OD1 2.69Å; Q704-D708 WeakPolarHBondContact O-CB 3.46Å; Q704-D708 PolarHBondContact O-N 3Å; E705-D708 PolarHBondContact O-N 3.04Å; D708-K712 WeakPolarHBondContact O-CB 3.36Å; D708-K712 WeakPolarHBondContact O-CG 3.29Å; D708-K712 PolarHBondContact O-N 3.22Å; D708-K712 VanDerWaalsContact O-N 3.15Å
709	L	94.1	Very high	89.9	Confident	96 Å²	96	61.5 Å²	61.5	50%	0.503	29%	0.291	S	S	.	.	H	α-helix	trans	-60.8	-53.1	178.6	-72	169.7	0	0	0	110.8	E705 I711 K712 D713	E705-L709 WeakPolarHBondContact O-CB 3.27Å; E705-L709 WeakPolarHBondContact O-CD1 3.37Å; E705-L709 WeakPolarHBondContact O-CG 3.4Å; E705-L709 PolarHBondContact O-N 2.9Å; L709-I711 PolarHBondContact O-N 2.56Å; L709-K712 PolarHBondContact O-N 2.86Å; L709-D713 VanDerWaalsContact O-CB 3.31Å; L709-D713 WeakPolarHBondContact O-CB 3.33Å; L709-D713 PolarHBondContact O-N 2.97Å
710	T	94.4	Very high	88.1	Confident	23 Å²	23	62.5 Å²	62.5	14%	0.141	29%	0.29	C	S	.	.	H	α-helix	trans	-65.3	-43.6	-174.3	-59.7	0	0	0	0	112.7	F657 F682 P683 N706 T714	F657-T710 HydrophobicContact CE2-CG2 4.29Å; F657-T710 HydrophobicContact CZ-CG2 4.04Å; F682-T710 HydrophobicContact CB-CG2 4.47Å; F682-T710 VanDerWaalsContact CD1-OG1 3.28Å; F682-T710 WeakPolarHBondContact CD1-OG1 3.33Å; P683-T710 HydrophobicContact CG-CG2 3.94Å; P683-T710 WeakPolarHBondContact O-CG2 3.43Å; N706-T710 VanDerWaalsContact O-CB 3.3Å; N706-T710 WeakPolarHBondContact O-CB 3.49Å; N706-T710 PolarHBondContact O-N 3.15Å; N706-T710 VanDerWaalsContact O-N 3.11Å; N706-T710 PolarHBondContact O-OG1 3.44Å; T710-T714 VanDerWaalsContact O-CB 3.29Å; T710-T714 WeakPolarHBondContact O-CB 3.25Å; T710-T714 PolarHBondContact O-N 3.29Å; T710-T714 PolarHBondContact O-OG1 2.87Å
711	I	94.6	Very high	86	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-64.8	-46.9	-179.8	-67.6	171.6	0	0	0	110.3	T649 D653 I654 F657 M707 L709 L715	T649-I711 HydrophobicContact CG2-CB 4.17Å; T649-I711 HydrophobicContact CG2-CD1 4.1Å; T649-I711 HydrophobicContact CG2-CG2 3.64Å; D653-I711 HydrophobicContact CB-CG2 3.82Å; I654-I711 HydrophobicContact CG1-CD1 3.93Å; F657-I711 HydrophobicContact CB-CG1 4.36Å; F657-I711 HydrophobicContact CB-CG2 4.12Å; F657-I711 HydrophobicContact CD1-CD1 4.34Å; F657-I711 HydrophobicContact CD1-CG1 3.77Å; F657-I711 HydrophobicContact CD2-CG1 4.27Å; F657-I711 HydrophobicContact CE1-CG1 4.04Å; F657-I711 HydrophobicContact CG-CG1 3.88Å; F657-I711 HydrophobicContact CG-CG2 4.41Å; F657-I711 HydrophobicContact CZ-CG1 4.4Å; M707-I711 HydrophobicContact CE-CD1 4.04Å; M707-I711 WeakPolarHBondContact O-CB 3.28Å; M707-I711 VanDerWaalsContact O-CG1 3.27Å; M707-I711 WeakPolarHBondContact O-CG1 3.26Å; M707-I711 PolarHBondContact O-N 3.47Å; M707-I711 VanDerWaalsContact O-N 3.08Å; L709-I711 PolarHBondContact O-N 2.56Å; I711-L715 HydrophobicContact CG2-CD1 3.89Å; I711-L715 WeakPolarHBondContact O-CB 3.47Å; I711-L715 VanDerWaalsContact O-CG 3.26Å; I711-L715 WeakPolarHBondContact O-CG 3.02Å; I711-L715 PolarHBondContact O-N 2.96Å; I711-L715 VanDerWaalsContact O-N 3.11Å
712	K	92.8	Very high	83.5	Confident	73 Å²	73	61.3 Å²	61.3	32%	0.317	30%	0.304	S	S	.	.	H	α-helix	trans	-67.1	-44.6	-178.8	-72.9	-62.8	-166.7	-170.7	0	112.9	A648 D653 D708 L709 L715 R716	A648-K712 WeakPolarHBondContact O-CE 3.35Å; A648-K712 PolarHBondContact O-NZ 3.33Å; D653-K712 IonicContact OD2-NZ 3.6Å; D653-K712 PolarHBondContact OD2-NZ 2.72Å; D708-K712 WeakPolarHBondContact O-CB 3.36Å; D708-K712 WeakPolarHBondContact O-CG 3.29Å; D708-K712 PolarHBondContact O-N 3.22Å; D708-K712 VanDerWaalsContact O-N 3.15Å; L709-K712 PolarHBondContact O-N 2.86Å; K712-L715 PolarHBondContact O-N 2.98Å; K712-R716 VanDerWaalsContact O-CB 3.26Å; K712-R716 WeakPolarHBondContact O-CB 3.3Å; K712-R716 PolarHBondContact O-N 3.47Å
713	D	90.2	Very high	80.4	Confident	61 Å²	61	59.5 Å²	59.5	33%	0.326	30%	0.303	S	S	.	.	H	α-helix	trans	-65.3	-42.5	-179.4	-77.5	-30.9	0	0	0	110.9	L709 L715 R716 L717	L709-D713 VanDerWaalsContact O-CB 3.31Å; L709-D713 WeakPolarHBondContact O-CB 3.33Å; L709-D713 PolarHBondContact O-N 2.97Å; D713-L715 PolarHBondContact O-N 2.94Å; D713-R716 PolarHBondContact O-N 3.39Å; D713-R716 IonicContact OD1-CZ 2.75Å; D713-R716 IonicContact OD1-NH1 3.45Å; D713-R716 IonicContact OD1-NH2 2.76Å; D713-R716 PolarHBondContact OD1-NH2 2.7Å; D713-L717 WeakPolarHBondContact O-CB 3.39Å; D713-L717 VanDerWaalsContact O-CG 3.25Å; D713-L717 WeakPolarHBondContact O-CG 3.49Å; D713-L717 PolarHBondContact O-N 3.2Å
714	T	87.8	Confident	77.4	Confident	46 Å²	46	65.9 Å²	65.9	28%	0.282	34%	0.344	S	S	.	.	H	α-helix	trans	-59.4	-51	176.7	-55.1	0	0	0	0	111.1	F657 T710 R716 L717 E718	F657-T714 HydrophobicContact CD2-CG2 4.07Å; F657-T714 HydrophobicContact CE2-CG2 4Å; T710-T714 VanDerWaalsContact O-CB 3.29Å; T710-T714 WeakPolarHBondContact O-CB 3.25Å; T710-T714 PolarHBondContact O-N 3.29Å; T710-T714 PolarHBondContact O-OG1 2.87Å; T714-R716 VanDerWaalsContact C-N 3.3Å; T714-R716 PolarHBondContact O-N 3.13Å; T714-L717 PolarHBondContact O-N 3.48Å; T714-E718 WeakPolarHBondContact O-CG 3.35Å; T714-E718 PolarHBondContact O-N 3.46Å
715	L	86.3	Confident	74.1	Confident	13 Å²	13	68.7 Å²	68.7	7%	0.068	37%	0.368	C	S	.	.	H	α-helix	trans	-69	-27.3	-179.2	-64.4	176.7	0	0	0	113.1	D653 V656 I711 K712 D713 K719	D653-L715 HydrophobicContact CB-CD1 3.63Å; V656-L715 HydrophobicContact CB-CD2 4.19Å; V656-L715 HydrophobicContact CG1-CD2 3.57Å; I711-L715 HydrophobicContact CG2-CD1 3.89Å; I711-L715 WeakPolarHBondContact O-CB 3.47Å; I711-L715 VanDerWaalsContact O-CG 3.26Å; I711-L715 WeakPolarHBondContact O-CG 3.02Å; I711-L715 PolarHBondContact O-N 2.96Å; I711-L715 VanDerWaalsContact O-N 3.11Å; K712-L715 PolarHBondContact O-N 2.98Å; D713-L715 PolarHBondContact O-N 2.94Å; L715-K719 WeakPolarHBondContact O-CG 2.94Å; L715-K719 PolarHBondContact O-N 3.29Å
716	R	85.3	Confident	70.8	Confident	125 Å²	125	72.5 Å²	72.5	47%	0.472	39%	0.391	S	S	.	.	H	α-helix	trans	-70.5	-49.9	173.4	-174.5	-176.8	69.1	-144.1	-17.5	110.4	K712 D713 T714 E718 K719 E720	K712-R716 VanDerWaalsContact O-CB 3.26Å; K712-R716 WeakPolarHBondContact O-CB 3.3Å; K712-R716 PolarHBondContact O-N 3.47Å; D713-R716 PolarHBondContact O-N 3.39Å; D713-R716 IonicContact OD1-CZ 2.75Å; D713-R716 IonicContact OD1-NH1 3.45Å; D713-R716 IonicContact OD1-NH2 2.76Å; D713-R716 PolarHBondContact OD1-NH2 2.7Å; T714-R716 VanDerWaalsContact C-N 3.3Å; T714-R716 PolarHBondContact O-N 3.13Å; R716-E718 VanDerWaalsContact C-N 3.27Å; R716-E718 PolarHBondContact O-N 2.97Å; R716-K719 WeakPolarHBondContact O-CB 3.39Å; R716-K719 PolarHBondContact O-N 3.11Å; R716-E720 WeakPolarHBondContact CD-OE1 3.34Å; R716-E720 HydrophobicContact CG-CG 4.35Å; R716-E720 VanDerWaalsContact CG-OE1 3.28Å; R716-E720 WeakPolarHBondContact CG-OE1 3.22Å; R716-E720 IonicContact NE-OE1 3.53Å; R716-E720 WeakPolarHBondContact O-CG 3.49Å; R716-E720 PolarHBondContact O-N 2.8Å
717	L	78.3	Confident	68.1	Low	92 Å²	92	76.6 Å²	76.6	48%	0.482	42%	0.418	S	S	.	.	H	α-helix	trans	-59.5	-38.8	179.2	-70.6	170.2	0	0	0	111.5	D713 T714 K719 E720 E721	D713-L717 WeakPolarHBondContact O-CB 3.39Å; D713-L717 VanDerWaalsContact O-CG 3.25Å; D713-L717 WeakPolarHBondContact O-CG 3.49Å; D713-L717 PolarHBondContact O-N 3.2Å; T714-L717 PolarHBondContact O-N 3.48Å; L717-K719 VanDerWaalsContact C-N 3.32Å; L717-K719 PolarHBondContact O-N 2.98Å; L717-E720 PolarHBondContact O-N 3.45Å; L717-E721 WeakPolarHBondContact O-CB 3.28Å; L717-E721 WeakPolarHBondContact O-CG 3.31Å; L717-E721 PolarHBondContact O-N 3.49Å
718	E	72.4	Confident	64.7	Low	74 Å²	74	88.3 Å²	88.3	35%	0.346	46%	0.462	S	S	.	.	H	α-helix	trans	-64.7	-33.3	175.3	-72.9	177.7	167.4	0	0	113.3	K687 T714 R716	K687-E718 IonicContact NZ-OE1 3.8Å; K687-E718 PolarHBondContact NZ-OE1 2.82Å; K687-E718 IonicContact NZ-OE2 3.59Å; K687-E718 PolarHBondContact NZ-OE2 3.19Å; T714-E718 WeakPolarHBondContact O-CG 3.35Å; T714-E718 PolarHBondContact O-N 3.46Å; R716-E718 VanDerWaalsContact C-N 3.27Å; R716-E718 PolarHBondContact O-N 2.97Å
719	K	66.2	Low	61.4	Low	147 Å²	147	93.1 Å²	93.1	64%	0.639	49%	0.493	S	S	*	.	H	α-helix	trans	-73.7	-37.5	173.7	-72.6	171.5	-175.2	171.8	0	111.7	L715 R716 L717 G722	L715-K719 WeakPolarHBondContact O-CG 2.94Å; L715-K719 PolarHBondContact O-N 3.29Å; R716-K719 WeakPolarHBondContact O-CB 3.39Å; R716-K719 PolarHBondContact O-N 3.11Å; L717-K719 VanDerWaalsContact C-N 3.32Å; L717-K719 PolarHBondContact O-N 2.98Å; K719-G722 PolarHBondContact O-N 3.42Å
720	E	56.6	Low	58.1	Low	95 Å²	95	96.8 Å²	96.8	44%	0.444	51%	0.512	S	S	.	.	H	α-helix	trans	-73	-38	-179.9	-72.4	172.1	179.5	0	0	111.9	R716 L717 G722 S723	R716-E720 WeakPolarHBondContact CD-OE1 3.34Å; R716-E720 HydrophobicContact CG-CG 4.35Å; R716-E720 VanDerWaalsContact CG-OE1 3.28Å; R716-E720 WeakPolarHBondContact CG-OE1 3.22Å; R716-E720 IonicContact NE-OE1 3.53Å; R716-E720 WeakPolarHBondContact O-CG 3.49Å; R716-E720 PolarHBondContact O-N 2.8Å; L717-E720 PolarHBondContact O-N 3.45Å; E720-G722 PolarHBondContact O-N 3.45Å; E720-S723 CarbonylContact O-C 3.58Å; E720-S723 WeakPolarHBondContact O-CA 3.35Å; E720-S723 PolarHBondContact O-N 3.41Å; E720-S723 PolarHBondContact O-OG 3.19Å
721	E	51.2	Low	54.8	Low	129 Å²	129	102.7 Å²	102.7	60%	0.603	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-21.7	171	-77.9	-169.9	176.8	0	0	113.4	K390 L717 S723	K390-E721 IonicContact NZ-OE2 3.8Å; K390-E721 PolarHBondContact NZ-OE2 2.91Å; K390-E721 VanDerWaalsContact NZ-OE2 3.09Å; L717-E721 WeakPolarHBondContact O-CB 3.28Å; L717-E721 WeakPolarHBondContact O-CG 3.31Å; L717-E721 PolarHBondContact O-N 3.49Å; E721-S723 VanDerWaalsContact C-N 3.27Å
722	G	41.1	Very low	51.5	Low	53 Å²	53	109.5 Å²	109.5	55%	0.546	58%	0.584	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.4	-0.2	170.9	0	0	0	0	0	114.3	K719 E720	K719-G722 PolarHBondContact O-N 3.42Å; E720-G722 PolarHBondContact O-N 3.45Å
723	S	28.9	Very low	48.4	Very low	57 Å²	57	110.6 Å²	110.6	40%	0.399	60%	0.601	S	S	.	*	S	Bend	trans	-125	144.9	178.5	65.7	0	0	0	0	110.9	E720 E721 S725	E720-S723 CarbonylContact O-C 3.58Å; E720-S723 WeakPolarHBondContact O-CA 3.35Å; E720-S723 PolarHBondContact O-N 3.41Å; E720-S723 PolarHBondContact O-OG 3.19Å; E721-S723 VanDerWaalsContact C-N 3.27Å; S723-S725 PolarHBondContact O-N 2.99Å
724	P	31.1	Very low	45.4	Very low	134 Å²	134	113.2 Å²	113.2	87%	0.87	62%	0.624	S	S	*	*	S	Bend	trans	-81.8	90.1	-170.1	32.2	-32.5	0	0	0	111.3
725	S	25.4	Very low	42.5	Very low	98 Å²	98	118.4 Å²	118.4	69%	0.685	65%	0.65	S	S	*	*			trans	-171.2	100.3	154.9	51.5	0	0	0	0	115.1	S723	S723-S725 PolarHBondContact O-N 2.99Å
726	L	24.8	Very low	39.8	Very low	172 Å²	172	126.7 Å²	126.7	90%	0.901	69%	0.689	S	S	*	*			trans	57.8	154.8	140.6	-74.3	166.3	0	0	0	121.5
727	P	37.1	Very low	37	Very low	99 Å²	99	129.5 Å²	129.5	64%	0.643	71%	0.707	S	S	*	*			trans	-97.7	175.7	-140.8	30.9	-18.3	0	0	0	113.4
728	W	24.5	Very low	34.5	Very low	246 Å²	246	133.4 Å²	133.4	93%	0.932	73%	0.725	S	S	*	*				-177.3	134.7	118.5	-91.7	36.8	0	0	0	110.1
729	T	26.7	Very low	32.6	Very low	123 Å²	123	137.4 Å²	137.4	76%	0.755	75%	0.748	S	S	*	*			trans	-77.1	141	178.5	44.6	0	0	0	0	112.4
730	L	24.6	Very low	30.9	Very low	173 Å²	173	142.1 Å²	142.1	91%	0.906	78%	0.779	S	S	*	*			trans	-116	102.4	154	-87.2	162.8	0	0	0	109.5
731	N	24.9	Very low	29.6	Very low	146 Å²	146	144.5 Å²	144.5	78%	0.781	80%	0.796	S	S	*	*			trans	-63.3	129.7	163.6	-91.7	-20.9	0	0	0	109.5
732	V	26.2	Very low	28.5	Very low	143 Å²	143	145.3 Å²	145.3	87%	0.867	81%	0.806	S	S	*	*			trans	-115.4	96.6	152.8	-178.1	0	0	0	0	106.7
733	S	27.3	Very low	27.8	Very low	96 Å²	96	150.4 Å²	150.4	67%	0.671	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-72.7	122.7	169.8	52.4	0	0	0	0	109.5	N735	S733-N735 PolarHBondContact O-N 3.49Å
734	S	27.5	Very low	27.7	Very low	117 Å²	117	155.9 Å²	155.9	82%	0.818	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-67.5	118.6	162.4	48.5	0	0	0	0	109.8
735	N	25.6	Very low	27.5	Very low	154 Å²	154	157.3 Å²	157.3	82%	0.824	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-78.7	119.9	164.7	-94	-16.1	0	0	0	109.3	S733	S733-N735 PolarHBondContact O-N 3.49Å
736	E	29.1	Very low	27.6	Very low	188 Å²	188	161.3 Å²	161.3	88%	0.879	85%	0.854	S	S	*	*			trans	170	119.4	154.8	-98.5	170.1	-169.9	0	0	103.2
737	E	26.8	Very low	27.8	Very low	183 Å²	183	160.5 Å²	160.5	86%	0.855	85%	0.85	S	S	*	*			cis	-150.4	145.1	38.6	-71.5	174	128.6	0	0	111.2
738	M	26.2	Very low	27.1	Very low	175 Å²	175	165.2 Å²	165.2	86%	0.862	87%	0.866	S	S	*	*			trans	-71.6	122.6	156.9	-147.1	-172.5	76.8	0	0	107.6
739	L	32.8	Very low	27.4	Very low	157 Å²	157	158.5 Å²	158.5	82%	0.822	86%	0.861	S	S	*	*			trans	-178.4	113.3	145.2	-96.8	159.4	0	0	0	110.8
740	L	30.4	Very low	27.4	Very low	247 Å²	247	161.7 Å²	161.7	100%	1.293	87%	0.871	S	S	*	*			trans	79.9	0	170.3	-67	163.9	0	0	0	118.4

Retrieved 740 of 740 residues in 482.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).