A0A077ZJ81_TRITR Loading...

Peptidase M41 and AAA domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJ81, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 467 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.4	Very low	59.2	Low	225 Å²	225	125.8 Å²	125.8	100%	1.108	67%	0.665	S	S	*	*				0	-26.3	0	-128.8	172.1	88.8	0	0	114.1	L3	M1-L3 PolarHBondContact O-N 3.37Å
2	L	53	Low	59.3	Low	153 Å²	153	130.6 Å²	130.6	80%	0.801	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-73.4	-12.8	-174.7	-89.3	131.3	0	0	0	117.1
3	L	53.3	Low	59.1	Low	168 Å²	168	128 Å²	128	88%	0.88	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-84.6	-8.7	-176.6	-79.1	159.2	0	0	0	114.9	M1	M1-L3 PolarHBondContact O-N 3.37Å
4	L	54.1	Low	58.3	Low	113 Å²	113	127.9 Å²	127.9	59%	0.592	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-97	-8.8	-178.3	-73.9	165.6	0	0	0	114.2	S7 L8	L4-S7 PolarHBondContact O-OG 3.07Å; L4-L8 HydrophobicContact CB-CD1 4.45Å; L4-L8 WeakPolarHBondContact O-CB 3.33Å; L4-L8 PolarHBondContact O-N 3.49Å; L4-L8 VanDerWaalsContact O-N 3.07Å
5	L	63.4	Low	57.6	Low	112 Å²	112	129.7 Å²	129.7	59%	0.586	65%	0.649	S	S	*	*	H	α-helix	trans	-63.4	-44.2	-177.4	-102.4	142.1	0	0	0	113.9	S7 L8 L9	L5-S7 PolarHBondContact O-N 2.84Å; L5-L8 PolarHBondContact O-N 2.92Å; L5-L9 WeakPolarHBondContact O-CB 3.46Å; L5-L9 PolarHBondContact O-N 3.38Å
6	P	62.6	Low	56.7	Low	87 Å²	87	123.1 Å²	123.1	57%	0.565	62%	0.624	S	S	*	*	H	α-helix	trans	-65.5	-41.4	179.8	-19.4	31.4	0	0	0	112.1	L9 Q10	P6-L9 PolarHBondContact O-N 2.98Å; P6-Q10 WeakPolarHBondContact O-CB 3.46Å; P6-Q10 PolarHBondContact O-N 3.39Å
7	S	64.6	Low	55.6	Low	61 Å²	61	122.9 Å²	122.9	43%	0.427	62%	0.624	S	S	.	*	H	α-helix	trans	-65.5	-38.8	177.9	42.8	0	0	0	0	112.3	L4 L5 L11	L4-S7 PolarHBondContact O-OG 3.07Å; L5-S7 PolarHBondContact O-N 2.84Å; S7-L11 VanDerWaalsContact O-CB 3.27Å; S7-L11 WeakPolarHBondContact O-CB 3.32Å; S7-L11 PolarHBondContact O-N 3.28Å
8	L	62.2	Low	54.5	Low	112 Å²	112	120.4 Å²	120.4	59%	0.586	61%	0.611	S	S	*	*	H	α-helix	trans	-69	-39.5	175.9	-97.6	150.1	0	0	0	112.2	L4 L5 L11 Y12	L4-L8 HydrophobicContact CB-CD1 4.45Å; L4-L8 WeakPolarHBondContact O-CB 3.33Å; L4-L8 PolarHBondContact O-N 3.49Å; L4-L8 VanDerWaalsContact O-N 3.07Å; L5-L8 PolarHBondContact O-N 2.92Å; L8-L11 PolarHBondContact O-N 2.8Å; L8-Y12 VanDerWaalsContact O-CB 3.32Å; L8-Y12 WeakPolarHBondContact O-CB 3.27Å; L8-Y12 PolarHBondContact O-N 3.41Å
9	L	67.8	Low	53.7	Low	112 Å²	112	115.9 Å²	115.9	59%	0.586	59%	0.592	S	S	*	*	H	α-helix	trans	-68	-39.4	177.2	-162.7	81.3	0	0	0	111.3	L5 P6 Y12 L13	L5-L9 WeakPolarHBondContact O-CB 3.46Å; L5-L9 PolarHBondContact O-N 3.38Å; P6-L9 PolarHBondContact O-N 2.98Å; L9-Y12 PolarHBondContact O-N 2.89Å; L9-L13 HydrophobicContact CD2-CD1 4.42Å; L9-L13 HydrophobicContact CG-CD1 4.26Å; L9-L13 WeakPolarHBondContact O-CB 3.14Å; L9-L13 WeakPolarHBondContact O-CG 3.34Å; L9-L13 PolarHBondContact O-N 2.79Å
10	Q	60.4	Low	53	Low	142 Å²	142	116 Å²	116	66%	0.664	59%	0.594	S	S	*	*	H	α-helix	trans	-70.1	-36.2	176.4	-157.4	169.4	6.5	0	0	111.1	P6 H14	P6-Q10 WeakPolarHBondContact O-CB 3.46Å; P6-Q10 PolarHBondContact O-N 3.39Å; Q10-H14 WeakPolarHBondContact O-CB 3.39Å; Q10-H14 PolarHBondContact O-N 3.06Å
11	L	60.3	Low	52.1	Low	99 Å²	99	118.3 Å²	118.3	52%	0.518	60%	0.602	S	S	.	*	H	α-helix	trans	-63.4	-42.9	169.5	-154.9	81.3	0	0	0	110.8	S7 L8 H14 Y15	S7-L11 VanDerWaalsContact O-CB 3.27Å; S7-L11 WeakPolarHBondContact O-CB 3.32Å; S7-L11 PolarHBondContact O-N 3.28Å; L8-L11 PolarHBondContact O-N 2.8Å; L11-H14 PolarHBondContact O-N 2.8Å; L11-Y15 HydrophobicContact CD1-CD2 4Å; L11-Y15 HydrophobicContact CD1-CE2 3.68Å; L11-Y15 HydrophobicContact CG-CD2 3.74Å; L11-Y15 HydrophobicContact CG-CE2 3.9Å; L11-Y15 VanDerWaalsContact O-CB 3.28Å; L11-Y15 WeakPolarHBondContact O-CB 3.49Å; L11-Y15 VanDerWaalsContact O-CD2 3.3Å; L11-Y15 WeakPolarHBondContact O-CD2 3.28Å; L11-Y15 PolarHBondContact O-N 3.31Å
12	Y	59.9	Low	51.3	Low	183 Å²	183	114 Å²	114	72%	0.718	58%	0.583	S	S	*	*	H	α-helix	trans	-69.4	-37.2	179.1	-161	-92.1	0	0	0	112.7	L8 L9 G16	L8-Y12 VanDerWaalsContact O-CB 3.32Å; L8-Y12 WeakPolarHBondContact O-CB 3.27Å; L8-Y12 PolarHBondContact O-N 3.41Å; L9-Y12 PolarHBondContact O-N 2.89Å; Y12-G16 WeakPolarHBondContact O-CA 3.11Å; Y12-G16 PolarHBondContact O-N 3.44Å
13	L	57.5	Low	50.8	Low	97 Å²	97	112.1 Å²	112.1	51%	0.508	57%	0.568	S	S	.	*	H	α-helix	trans	-70.2	-42.2	173.9	-76.1	164.9	0	0	0	111	L9 L17	L9-L13 HydrophobicContact CD2-CD1 4.42Å; L9-L13 HydrophobicContact CG-CD1 4.26Å; L9-L13 WeakPolarHBondContact O-CB 3.14Å; L9-L13 WeakPolarHBondContact O-CG 3.34Å; L9-L13 PolarHBondContact O-N 2.79Å; L13-L17 WeakPolarHBondContact O-CB 3.36Å; L13-L17 WeakPolarHBondContact O-CD1 3.37Å; L13-L17 PolarHBondContact O-N 2.87Å
14	H	47.4	Very low	50.5	Low	127 Å²	127	108.2 Å²	108.2	59%	0.588	56%	0.555	S	S	*	*	H	α-helix	trans	-70	-44.3	-179.8	-152.4	68.6	0	0	0	111.3	Q10 L11 I18	Q10-H14 WeakPolarHBondContact O-CB 3.39Å; Q10-H14 PolarHBondContact O-N 3.06Å; L11-H14 PolarHBondContact O-N 2.8Å; H14-I18 WeakPolarHBondContact O-CB 3.31Å; H14-I18 WeakPolarHBondContact O-CD1 3.11Å; H14-I18 WeakPolarHBondContact O-CG1 3.14Å; H14-I18 PolarHBondContact O-N 2.71Å
15	Y	48.5	Very low	50.4	Low	154 Å²	154	105 Å²	105	60%	0.604	54%	0.542	S	S	*	.	H	α-helix	trans	-78.7	-27.7	175.5	-80	-91.7	0	0	0	113.6	L11 S19	L11-Y15 HydrophobicContact CD1-CD2 4Å; L11-Y15 HydrophobicContact CD1-CE2 3.68Å; L11-Y15 HydrophobicContact CG-CD2 3.74Å; L11-Y15 HydrophobicContact CG-CE2 3.9Å; L11-Y15 VanDerWaalsContact O-CB 3.28Å; L11-Y15 WeakPolarHBondContact O-CB 3.49Å; L11-Y15 VanDerWaalsContact O-CD2 3.3Å; L11-Y15 WeakPolarHBondContact O-CD2 3.28Å; L11-Y15 PolarHBondContact O-N 3.31Å; Y15-S19 WeakPolarHBondContact O-CB 3.3Å; Y15-S19 PolarHBondContact O-N 3.08Å
16	G	43.4	Very low	50.1	Low	24 Å²	24	101.6 Å²	101.6	25%	0.247	53%	0.526	C	S	.	.	H	α-helix	trans	-72.1	-42.4	178.4	0	0	0	0	0	112.6	Y12 S19 D20	Y12-G16 WeakPolarHBondContact O-CA 3.11Å; Y12-G16 PolarHBondContact O-N 3.44Å; G16-S19 VanDerWaalsContact O-CB 3.31Å; G16-S19 WeakPolarHBondContact O-CB 3.04Å; G16-S19 PolarHBondContact O-N 3.17Å; G16-D20 PolarHBondContact O-N 3.29Å; G16-D20 VanDerWaalsContact O-N 3.17Å
17	L	37.7	Very low	50.5	Low	120 Å²	120	104.1 Å²	104.1	63%	0.628	53%	0.528	S	S	*	.	H	α-helix	trans	-70.4	-31.9	172.4	-82.6	153.3	0	0	0	112.5	L13 S19	L13-L17 WeakPolarHBondContact O-CB 3.36Å; L13-L17 WeakPolarHBondContact O-CD1 3.37Å; L13-L17 PolarHBondContact O-N 2.87Å; L17-S19 VanDerWaalsContact C-N 3.35Å
18	I	35.5	Very low	51.2	Low	78 Å²	78	105.3 Å²	105.3	40%	0.4	53%	0.527	S	S	.	.	H	α-helix	trans	-72.2	-32.9	172.7	-67.5	168.7	0	0	0	110.6	H14 L22	H14-I18 WeakPolarHBondContact O-CB 3.31Å; H14-I18 WeakPolarHBondContact O-CD1 3.11Å; H14-I18 WeakPolarHBondContact O-CG1 3.14Å; H14-I18 PolarHBondContact O-N 2.71Å; I18-L22 HydrophobicContact CG2-CD1 3.57Å; I18-L22 WeakPolarHBondContact O-CB 2.99Å; I18-L22 PolarHBondContact O-N 3.02Å; I18-L22 VanDerWaalsContact O-N 3.08Å
19	S	39.4	Very low	51.9	Low	35 Å²	35	101.4 Å²	101.4	25%	0.245	51%	0.506	C	S	.	.	H	α-helix	trans	-60.9	-52.6	175.8	156.5	0	0	0	0	111.4	Y15 G16 L17 H21 L22 F23	Y15-S19 WeakPolarHBondContact O-CB 3.3Å; Y15-S19 PolarHBondContact O-N 3.08Å; G16-S19 VanDerWaalsContact O-CB 3.31Å; G16-S19 WeakPolarHBondContact O-CB 3.04Å; G16-S19 PolarHBondContact O-N 3.17Å; L17-S19 VanDerWaalsContact C-N 3.35Å; S19-H21 VanDerWaalsContact C-N 3.25Å; S19-H21 PolarHBondContact O-N 3.18Å; S19-L22 PolarHBondContact O-N 2.8Å; S19-L22 VanDerWaalsContact O-N 3.11Å; S19-F23 WeakPolarHBondContact O-CB 3.41Å; S19-F23 WeakPolarHBondContact O-CD2 3.47Å; S19-F23 PolarHBondContact O-N 3.11Å; S19-F23 VanDerWaalsContact OG-CD2 3.25Å; S19-F23 WeakPolarHBondContact OG-CD2 3.38Å; S19-F23 WeakPolarHBondContact OG-CE2 3.25Å
20	D	39.9	Very low	52.4	Low	117 Å²	117	97.9 Å²	97.9	63%	0.626	49%	0.489	S	S	*	.	H	α-helix	trans	-62	-32.6	-173.7	-68.7	-15.4	0	0	0	113.1	G16	G16-D20 PolarHBondContact O-N 3.29Å; G16-D20 VanDerWaalsContact O-N 3.17Å
21	H	34.6	Very low	53	Low	166 Å²	166	92.9 Å²	92.9	77%	0.769	47%	0.469	S	S	*	.	H	α-helix	trans	-86.3	-22.4	175.7	-84.4	-56.2	0	0	0	115	S19	S19-H21 VanDerWaalsContact C-N 3.25Å; S19-H21 PolarHBondContact O-N 3.18Å
22	L	31.2	Very low	53.5	Low	134 Å²	134	95.2 Å²	95.2	70%	0.702	48%	0.477	S	S	*	.	H	α-helix	trans	-83.4	-21	174.5	-108.7	109.2	0	0	0	113.2	I18 S19	I18-L22 HydrophobicContact CG2-CD1 3.57Å; I18-L22 WeakPolarHBondContact O-CB 2.99Å; I18-L22 PolarHBondContact O-N 3.02Å; I18-L22 VanDerWaalsContact O-N 3.08Å; S19-L22 PolarHBondContact O-N 2.8Å; S19-L22 VanDerWaalsContact O-N 3.11Å
23	F	42.3	Very low	54.4	Low	114 Å²	114	92.1 Å²	92.1	50%	0.5	47%	0.469	S	S	.	.			trans	-99.5	-1.9	-172.2	-70.8	-61.8	0	0	0	116	S19 S25	S19-F23 WeakPolarHBondContact O-CB 3.41Å; S19-F23 WeakPolarHBondContact O-CD2 3.47Å; S19-F23 PolarHBondContact O-N 3.11Å; S19-F23 VanDerWaalsContact OG-CD2 3.25Å; S19-F23 WeakPolarHBondContact OG-CD2 3.38Å; S19-F23 WeakPolarHBondContact OG-CE2 3.25Å; F23-S25 PolarHBondContact O-N 2.82Å
24	S	47.1	Very low	55.5	Low	86 Å²	86	88.3 Å²	88.3	60%	0.601	45%	0.449	S	S	*	.			trans	-75.6	72.5	167.1	80	0	0	0	0	109.6	V26	S24-V26 PolarHBondContact O-N 3.36Å
25	S	53	Low	57.2	Low	46 Å²	46	89 Å²	89	32%	0.322	46%	0.457	S	S	.	.			trans	-68	-10.8	170.4	61.3	0	0	0	0	112.2	F23 K27	F23-S25 PolarHBondContact O-N 2.82Å; S25-K27 PolarHBondContact O-N 2.91Å; S25-K27 VanDerWaalsContact O-N 3.09Å
26	V	56.5	Low	59.2	Low	40 Å²	40	82.8 Å²	82.8	24%	0.242	44%	0.435	C	S	.	.			trans	-66.4	108	178.2	-175.6	0	0	0	0	109.4	S24 E28 F101 L123	S24-V26 PolarHBondContact O-N 3.36Å; V26-E28 PolarHBondContact O-N 3.26Å; V26-E28 VanDerWaalsContact O-N 3.09Å; V26-F101 HydrophobicContact CG1-CD1 3.55Å; V26-F101 HydrophobicContact CG1-CE1 4.12Å; V26-L123 HydrophobicContact CB-CD1 4.45Å; V26-L123 HydrophobicContact CG1-CD1 3.66Å; V26-L123 HydrophobicContact CG2-CD1 3.93Å
27	K	71.3	Confident	61.5	Low	140 Å²	140	84.1 Å²	84.1	61%	0.609	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	91	169.9	-69.1	-179.8	-177	171.6	0	108.7	S25 H102	S25-K27 PolarHBondContact O-N 2.91Å; S25-K27 VanDerWaalsContact O-N 3.09Å; K27-H102 PolarHBondContact O-N 3.44Å
28	E	79.1	Confident	64.1	Low	85 Å²	85	79.6 Å²	79.6	40%	0.397	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	126.3	163.8	-176	-178.6	169.3	0	0	108.8	V26 F101 R130	V26-E28 PolarHBondContact O-N 3.26Å; V26-E28 VanDerWaalsContact O-N 3.09Å; E28-F101 HydrophobicContact CB-CD1 4.09Å; E28-F101 HydrophobicContact CB-CE1 3.72Å; E28-F101 HydrophobicContact CB-CZ 4.43Å; E28-F101 HydrophobicContact CG-CD1 4.3Å; E28-F101 HydrophobicContact CG-CE1 3.69Å; E28-F101 HydrophobicContact CG-CZ 3.89Å; E28-R130 IonicContact OE1-CZ 3.9Å; E28-R130 IonicContact OE1-NE 2.93Å; E28-R130 PolarHBondContact OE1-NE 3.25Å
29	I	78.1	Confident	66.8	Low	31 Å²	31	81.1 Å²	81.1	16%	0.159	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	114.5	169	-53.1	-176.4	0	0	0	106.6	E33 I34 F100	I29-E33 HydrophobicContact CG2-CB 3.72Å; I29-I34 HydrophobicContact CG2-CG1 3.83Å; I29-F100 HydrophobicContact CB-CB 4.44Å; I29-F100 HydrophobicContact CB-CD1 4.43Å; I29-F100 HydrophobicContact CD1-CD1 4.02Å; I29-F100 HydrophobicContact CD1-CE1 4.47Å; I29-F100 HydrophobicContact CG1-CD1 4.44Å; I29-F100 PolarHBondContact N-O 3.42Å; I29-F100 PolarHBondContact O-N 3.26Å
30	V	78	Confident	69.3	Low	37 Å²	37	81.1 Å²	81.1	22%	0.224	42%	0.418	C	S	.	.			trans	-70.3	150.3	177.5	-69.7	0	0	0	0	110.5	E32 E33	V30-E32 PolarHBondContact O-N 2.93Å; V30-E33 HydrophobicContact CG2-CB 4.32Å; V30-E33 HydrophobicContact CG2-CG 3.73Å; V30-E33 PolarHBondContact O-N 3.27Å
31	P	71.8	Confident	71.8	Confident	37 Å²	37	75.7 Å²	75.7	24%	0.24	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-50.4	-36.6	-175.3	-24.5	30.3	0	0	0	113.9	E33 I34	P31-E33 PolarHBondContact O-N 3.21Å; P31-I34 PolarHBondContact O-N 3.43Å; P31-I34 VanDerWaalsContact O-N 3.11Å
32	E	71.8	Confident	74.6	Confident	149 Å²	149	70.9 Å²	70.9	70%	0.696	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-67.1	-19.1	-178.8	-59.4	81.8	-179	0	0	113.7	V30	V30-E32 PolarHBondContact O-N 2.93Å
33	E	79.2	Confident	77.5	Confident	117 Å²	117	65 Å²	65	55%	0.547	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-91.6	-8.6	176.3	-68.2	179.1	177.7	0	0	112.6	I29 V30 P31 N35	I29-E33 HydrophobicContact CG2-CB 3.72Å; V30-E33 HydrophobicContact CG2-CB 4.32Å; V30-E33 HydrophobicContact CG2-CG 3.73Å; V30-E33 PolarHBondContact O-N 3.27Å; P31-E33 PolarHBondContact O-N 3.21Å; E33-N35 PolarHBondContact O-N 3.34Å; E33-N35 VanDerWaalsContact O-N 3.16Å
34	I	79.4	Confident	79.8	Confident	17 Å²	17	60.2 Å²	60.2	9%	0.087	32%	0.318	C	S	.	.			trans	-85.2	90.9	-178.5	-50.1	176.9	0	0	0	110	I29 P31 V36 A93 V98 F100	I29-I34 HydrophobicContact CG2-CG1 3.83Å; P31-I34 PolarHBondContact O-N 3.43Å; P31-I34 VanDerWaalsContact O-N 3.11Å; I34-V36 PolarHBondContact O-N 3Å; I34-A93 HydrophobicContact CD1-CB 3.87Å; I34-V98 WeakPolarHBondContact CD1-O 3.36Å; I34-F100 HydrophobicContact CD1-CB 3.56Å; I34-F100 HydrophobicContact CG1-CB 4.5Å
35	N	84.5	Confident	81.8	Confident	142 Å²	142	58.3 Å²	58.3	76%	0.759	30%	0.301	S	S	*	.			trans	-87.2	26.1	176	-64.4	-44.3	0	0	0	114	E33	E33-N35 PolarHBondContact O-N 3.34Å; E33-N35 VanDerWaalsContact O-N 3.16Å
36	V	89.8	Confident	83.5	Confident	23 Å²	23	62.5 Å²	62.5	14%	0.139	32%	0.316	C	S	.	.			trans	-128.4	129.4	-175.3	-177.5	0	0	0	0	109.2	I34 D40 L87 A91	I34-V36 PolarHBondContact O-N 3Å; V36-D40 HydrophobicContact CG1-CB 4Å; V36-L87 HydrophobicContact CG1-CD1 3.67Å; V36-L87 HydrophobicContact CG1-CG 4.35Å; V36-L87 HydrophobicContact CG2-CD1 4.48Å; V36-A91 HydrophobicContact CG1-CB 4.03Å
37	N	91.5	Very high	85.1	Confident	53 Å²	53	61.1 Å²	61.1	28%	0.283	31%	0.308	S	S	.	.			trans	-129.7	-174.6	176.9	68.1	10.3	0	0	0	111.4	D39 D40 A91	N37-D39 PolarHBondContact O-N 3.5Å; N37-D39 WeakPolarHBondContact OD1-CA 3.35Å; N37-D39 VanDerWaalsContact OD1-CB 3.28Å; N37-D39 WeakPolarHBondContact OD1-CB 3.44Å; N37-D39 PolarHBondContact OD1-N 3.45Å; N37-D40 PolarHBondContact N-OD2 3Å; N37-D40 PolarHBondContact O-N 3.38Å; N37-D40 PolarHBondContact OD1-N 3.09Å; N37-D40 PolarHBondContact OD1-OD2 3.49Å; N37-A91 WeakPolarHBondContact O-CB 3.41Å
38	F	92.5	Very high	86	Confident	24 Å²	24	55.7 Å²	55.7	11%	0.105	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-65.3	-18.4	178.8	-78.3	0.3	0	0	0	114	D40 V41 K48 L51 I52 V55 L88 A91 I92 E95	F38-D40 VanDerWaalsContact C-N 3.35Å; F38-V41 PolarHBondContact O-N 3.28Å; F38-K48 HydrophobicContact CB-CD 4.45Å; F38-L51 HydrophobicContact CZ-CB 4.34Å; F38-I52 HydrophobicContact CE2-CG1 4.02Å; F38-V55 HydrophobicContact CE1-CG2 4.39Å; F38-V55 HydrophobicContact CE2-CG2 3.89Å; F38-V55 HydrophobicContact CZ-CG2 3.54Å; F38-L88 HydrophobicContact CE1-CD1 4.47Å; F38-A91 HydrophobicContact CD1-CB 3.81Å; F38-A91 HydrophobicContact CE1-CB 4.22Å; F38-I92 HydrophobicContact CE1-CB 4.33Å; F38-I92 HydrophobicContact CE1-CG1 3.71Å; F38-I92 HydrophobicContact CZ-CG1 3.93Å; F38-E95 HydrophobicContact CD1-CB 4.3Å; F38-E95 HydrophobicContact CD2-CG 4.18Å; F38-E95 HydrophobicContact CE1-CB 4.46Å; F38-E95 HydrophobicContact CE2-CG 4.41Å; F38-E95 HydrophobicContact CG-CB 4.43Å; F38-E95 HydrophobicContact CG-CG 4.31Å
39	D	91.9	Very high	86.5	Confident	110 Å²	110	58.2 Å²	58.2	59%	0.588	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-72.3	-29.9	175.6	-66.8	-37	0	0	0	112.2	N37 V41 K42	N37-D39 PolarHBondContact O-N 3.5Å; N37-D39 WeakPolarHBondContact OD1-CA 3.35Å; N37-D39 VanDerWaalsContact OD1-CB 3.28Å; N37-D39 WeakPolarHBondContact OD1-CB 3.44Å; N37-D39 PolarHBondContact OD1-N 3.45Å; D39-V41 PolarHBondContact O-N 2.98Å; D39-K42 WeakPolarHBondContact O-CE 3.49Å; D39-K42 PolarHBondContact O-NZ 3.18Å
40	D	91.6	Very high	87	Confident	35 Å²	35	61.5 Å²	61.5	19%	0.187	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-74.3	-10.6	174	-68.9	-62.4	0	0	0	113.4	V36 N37 F38 L218 R222	V36-D40 HydrophobicContact CG1-CB 4Å; N37-D40 PolarHBondContact N-OD2 3Å; N37-D40 PolarHBondContact O-N 3.38Å; N37-D40 PolarHBondContact OD1-N 3.09Å; N37-D40 PolarHBondContact OD1-OD2 3.49Å; F38-D40 VanDerWaalsContact C-N 3.35Å; D40-L218 VanDerWaalsContact O-CD2 3.27Å; D40-L218 WeakPolarHBondContact O-CD2 3.43Å; D40-R222 IonicContact OD1-NH2 3.24Å; D40-R222 PolarHBondContact OD1-NH2 3.39Å
41	V	93	Very high	87.6	Confident	3 Å²	3	59.7 Å²	59.7	2%	0.018	30%	0.3	C	S	.	.			trans	-105.1	106.3	-177.5	-177.3	0	0	0	0	110	F38 D39 I44 K48 L87 L88 A91	F38-V41 PolarHBondContact O-N 3.28Å; D39-V41 PolarHBondContact O-N 2.98Å; V41-I44 HydrophobicContact CG1-CD1 3.52Å; V41-I44 HydrophobicContact CG1-CG1 3.55Å; V41-K48 HydrophobicContact CB-CD 4.27Å; V41-K48 HydrophobicContact CG1-CD 4.21Å; V41-K48 PolarHBondContact O-NZ 3.48Å; V41-L87 HydrophobicContact CG2-CD2 4.14Å; V41-L87 HydrophobicContact CG2-CG 4Å; V41-L88 HydrophobicContact CG1-CD1 4.05Å; V41-A91 HydrophobicContact CG2-CB 3.53Å
42	K	94	Very high	88.6	Confident	65 Å²	65	62.3 Å²	62.3	28%	0.283	31%	0.311	S	S	.	.			trans	-114.3	153.5	-179.3	-58.3	-53.3	-169.7	-154	0	112	D39 I44 D214 I215 L218	D39-K42 WeakPolarHBondContact O-CE 3.49Å; D39-K42 PolarHBondContact O-NZ 3.18Å; K42-I44 PolarHBondContact O-N 2.89Å; K42-D214 HydrophobicContact CB-CB 3.89Å; K42-D214 HydrophobicContact CD-CB 4.24Å; K42-D214 HydrophobicContact CG-CB 4.08Å; K42-I215 HydrophobicContact CB-CG1 3.68Å; K42-L218 HydrophobicContact CG-CB 4.37Å; K42-L218 HydrophobicContact CG-CD2 4.18Å
43	G	90.4	Very high	89.3	Confident	12 Å²	12	61.2 Å²	61.2	12%	0.124	31%	0.306	C	S	.	.	S	Bend	trans	80	7.7	174	0	0	0	0	0	116.7
44	I	90.6	Very high	89.7	Confident	13 Å²	13	55.9 Å²	55.9	7%	0.067	28%	0.281	C	S	.	.			trans	-134.2	51.7	174.1	53.5	166.8	0	0	0	110.5	V41 K42 A47 K48 L88 L204	V41-I44 HydrophobicContact CG1-CD1 3.52Å; V41-I44 HydrophobicContact CG1-CG1 3.55Å; K42-I44 PolarHBondContact O-N 2.89Å; I44-A47 HydrophobicContact CB-CB 4.48Å; I44-A47 PolarHBondContact O-N 3.44Å; I44-K48 PolarHBondContact O-N 2.92Å; I44-K48 VanDerWaalsContact O-N 3.16Å; I44-L88 HydrophobicContact CD1-CB 4.15Å; I44-L88 HydrophobicContact CD1-CD1 4.01Å; I44-L88 HydrophobicContact CD1-CD2 3.77Å; I44-L88 HydrophobicContact CD1-CG 4.2Å; I44-L204 HydrophobicContact CB-CD2 4.32Å; I44-L204 HydrophobicContact CD1-CD2 4.39Å; I44-L204 HydrophobicContact CG2-CD2 4.23Å
45	D	89.7	Confident	90.2	Very high	46 Å²	46	55.4 Å²	55.4	25%	0.246	28%	0.279	C	S	.	.	H	α-helix	trans	-64.6	-41	-172.3	-70.5	-20.5	0	0	0	112.1	A47 K48 E49 K210	D45-A47 VanDerWaalsContact C-N 3.34Å; D45-A47 PolarHBondContact O-N 3.37Å; D45-K48 WeakPolarHBondContact O-CB 3.38Å; D45-K48 PolarHBondContact O-N 3.38Å; D45-K48 VanDerWaalsContact O-N 3.15Å; D45-K48 WeakPolarHBondContact OD1-CE 3.43Å; D45-K48 IonicContact OD1-NZ 2.75Å; D45-K48 PolarHBondContact OD1-NZ 3.04Å; D45-E49 PolarHBondContact O-N 2.88Å; D45-K210 IonicContact OD2-NZ 3.64Å
46	E	88.1	Confident	90.5	Very high	134 Å²	134	50.8 Å²	50.8	63%	0.626	25%	0.254	S	S	*	.	H	α-helix	trans	-61.2	-42.6	179.2	-62	80.1	-178.1	0	0	111.7	E49 E50	E46-E49 PolarHBondContact O-N 2.83Å; E46-E50 PolarHBondContact O-N 2.73Å
47	A	90	Very high	90.2	Very high	10 Å²	10	50.1 Å²	50.1	8%	0.083	25%	0.249	C	C	.	.	H	α-helix	trans	-68.4	-36.6	177.5	0	0	0	0	0	112.1	I44 D45 E49 E50 L51 L204	I44-A47 HydrophobicContact CB-CB 4.48Å; I44-A47 PolarHBondContact O-N 3.44Å; D45-A47 VanDerWaalsContact C-N 3.34Å; D45-A47 PolarHBondContact O-N 3.37Å; A47-E49 VanDerWaalsContact C-N 3.31Å; A47-E49 PolarHBondContact O-N 2.7Å; A47-E50 PolarHBondContact O-N 2.77Å; A47-L51 WeakPolarHBondContact O-CB 3.46Å; A47-L51 WeakPolarHBondContact O-CD1 3.5Å; A47-L51 WeakPolarHBondContact O-CG 3.42Å; A47-L51 PolarHBondContact O-N 3Å; A47-L51 VanDerWaalsContact O-N 3.11Å; A47-L204 HydrophobicContact CB-CD2 3.22Å
48	K	90.6	Very high	90	Very high	26 Å²	26	48 Å²	48	11%	0.113	24%	0.238	C	C	.	.	H	α-helix	trans	-60.6	-42.5	173.8	-74.6	-177.5	-63.8	-178.1	0	110.8	F38 V41 I44 D45 E50 L51 I52 L88	F38-K48 HydrophobicContact CB-CD 4.45Å; V41-K48 HydrophobicContact CB-CD 4.27Å; V41-K48 HydrophobicContact CG1-CD 4.21Å; V41-K48 PolarHBondContact O-NZ 3.48Å; I44-K48 PolarHBondContact O-N 2.92Å; I44-K48 VanDerWaalsContact O-N 3.16Å; D45-K48 WeakPolarHBondContact O-CB 3.38Å; D45-K48 PolarHBondContact O-N 3.38Å; D45-K48 VanDerWaalsContact O-N 3.15Å; D45-K48 WeakPolarHBondContact OD1-CE 3.43Å; D45-K48 IonicContact OD1-NZ 2.75Å; D45-K48 PolarHBondContact OD1-NZ 3.04Å; K48-E50 VanDerWaalsContact C-N 3.34Å; K48-E50 PolarHBondContact O-N 3.27Å; K48-L51 CarbonylContact O-C 3.51Å; K48-L51 PolarHBondContact O-N 3.19Å; K48-L51 VanDerWaalsContact O-N 3.08Å; K48-I52 WeakPolarHBondContact O-CG1 3.43Å; K48-I52 PolarHBondContact O-N 2.95Å; K48-L88 HydrophobicContact CG-CD1 4.11Å
49	E	90.5	Very high	89.8	Confident	138 Å²	138	51.6 Å²	51.6	65%	0.645	25%	0.254	S	S	*	.	H	α-helix	trans	-58.3	-42.9	178.3	-71.3	-177.7	-178.7	0	0	112.8	D45 E46 A47 L51 I52	D45-E49 PolarHBondContact O-N 2.88Å; E46-E49 PolarHBondContact O-N 2.83Å; A47-E49 VanDerWaalsContact C-N 3.31Å; A47-E49 PolarHBondContact O-N 2.7Å; E49-L51 VanDerWaalsContact C-N 3.32Å; E49-L51 PolarHBondContact O-N 3.3Å; E49-I52 PolarHBondContact O-N 2.84Å
50	E	88.2	Confident	89.5	Confident	100 Å²	100	51.3 Å²	51.3	47%	0.467	25%	0.249	S	C	.	.	H	α-helix	trans	-65.3	-36.2	175.2	-67.5	-165.1	-146	0	0	112.3	E46 A47 K48 L202	E46-E50 PolarHBondContact O-N 2.73Å; A47-E50 PolarHBondContact O-N 2.77Å; K48-E50 VanDerWaalsContact C-N 3.34Å; K48-E50 PolarHBondContact O-N 3.27Å; E50-L202 HydrophobicContact CB-CD2 3.98Å; E50-L202 HydrophobicContact CG-CD2 4.31Å; E50-L202 WeakPolarHBondContact OE2-CD2 3.16Å
51	L	91.8	Very high	88.9	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-80.9	-15.3	-177.4	-66.8	166.1	0	0	0	114	F38 A47 K48 E49 Q53 I54 V55 V75 L88 I92 L202	F38-L51 HydrophobicContact CZ-CB 4.34Å; A47-L51 WeakPolarHBondContact O-CB 3.46Å; A47-L51 WeakPolarHBondContact O-CD1 3.5Å; A47-L51 WeakPolarHBondContact O-CG 3.42Å; A47-L51 PolarHBondContact O-N 3Å; A47-L51 VanDerWaalsContact O-N 3.11Å; K48-L51 CarbonylContact O-C 3.51Å; K48-L51 PolarHBondContact O-N 3.19Å; K48-L51 VanDerWaalsContact O-N 3.08Å; E49-L51 VanDerWaalsContact C-N 3.32Å; E49-L51 PolarHBondContact O-N 3.3Å; L51-Q53 PolarHBondContact O-N 3.05Å; L51-I54 HydrophobicContact CD2-CD1 3.73Å; L51-I54 HydrophobicContact CD2-CG1 4.49Å; L51-I54 WeakPolarHBondContact O-CA 3.3Å; L51-I54 VanDerWaalsContact O-CB 3.32Å; L51-I54 WeakPolarHBondContact O-CB 3.3Å; L51-I54 PolarHBondContact O-N 3.3Å; L51-V55 PolarHBondContact O-N 3.45Å; L51-V55 VanDerWaalsContact O-N 3.11Å; L51-V75 HydrophobicContact CD2-CG1 4.28Å; L51-L88 HydrophobicContact CD1-CD1 3.79Å; L51-L88 HydrophobicContact CD1-CD2 3.46Å; L51-L88 VanDerWaalsContact CD1-CD2 3.46Å; L51-L88 HydrophobicContact CD1-CG 3.76Å; L51-I92 HydrophobicContact CB-CD1 4.45Å; L51-I92 HydrophobicContact CD1-CD1 3.95Å; L51-I92 HydrophobicContact CD2-CD1 3.91Å; L51-I92 HydrophobicContact CG-CD1 4.33Å; L51-L202 HydrophobicContact CD1-CD1 3.72Å; L51-L202 HydrophobicContact CD2-CD1 3.47Å; L51-L202 VanDerWaalsContact CD2-CD1 3.47Å; L51-L202 HydrophobicContact CG-CD1 3.49Å; L51-L202 VanDerWaalsContact CG-CD1 3.49Å
52	I	91.7	Very high	88.4	Confident	91 Å²	91	58.1 Å²	58.1	47%	0.467	28%	0.284	S	S	.	.	H	α-helix	trans	-58	-35.8	174.5	-75	166.1	0	0	0	111.1	F38 K48 E49 I54 V55 D56	F38-I52 HydrophobicContact CE2-CG1 4.02Å; K48-I52 WeakPolarHBondContact O-CG1 3.43Å; K48-I52 PolarHBondContact O-N 2.95Å; E49-I52 PolarHBondContact O-N 2.84Å; I52-I54 PolarHBondContact O-N 3.1Å; I52-V55 PolarHBondContact O-N 3.42Å; I52-D56 PolarHBondContact O-N 2.87Å
53	Q	85.9	Confident	87.9	Confident	127 Å²	127	60 Å²	60	59%	0.593	29%	0.291	S	S	*	.	H	α-helix	trans	-64.5	-33.3	177.6	-60.9	-176.4	22.8	0	0	112	L51 Y57	L51-Q53 PolarHBondContact O-N 3.05Å; Q53-Y57 WeakPolarHBondContact O-CB 3.49Å; Q53-Y57 PolarHBondContact O-N 3.14Å
54	I	88.2	Confident	87.4	Confident	4 Å²	4	61.9 Å²	61.9	2%	0.021	30%	0.295	C	S	.	.	H	α-helix	trans	-69.4	-44	177	-59.8	-166.9	0	0	0	110.5	L51 I52 Y57 L58 L71 V75 I92 I177 L200	L51-I54 HydrophobicContact CD2-CD1 3.73Å; L51-I54 HydrophobicContact CD2-CG1 4.49Å; L51-I54 WeakPolarHBondContact O-CA 3.3Å; L51-I54 VanDerWaalsContact O-CB 3.32Å; L51-I54 WeakPolarHBondContact O-CB 3.3Å; L51-I54 PolarHBondContact O-N 3.3Å; I52-I54 PolarHBondContact O-N 3.1Å; I54-Y57 PolarHBondContact O-N 3.34Å; I54-L58 HydrophobicContact CG2-CD1 4.32Å; I54-L58 WeakPolarHBondContact O-CG 3.03Å; I54-L58 PolarHBondContact O-N 3.15Å; I54-L71 HydrophobicContact CB-CD2 4.49Å; I54-L71 HydrophobicContact CG1-CD2 4.26Å; I54-L71 HydrophobicContact CG2-CD2 4.48Å; I54-V75 HydrophobicContact CD1-CG2 3.34Å; I54-I92 HydrophobicContact CG2-CG2 4.37Å; I54-I177 HydrophobicContact CG2-CD1 3.45Å; I54-I177 VanDerWaalsContact CG2-CD1 3.45Å; I54-I177 HydrophobicContact CG2-CG2 4.05Å; I54-L200 HydrophobicContact CD1-CD2 3.97Å
55	V	90.5	Very high	86.8	Confident	8 Å²	8	64.1 Å²	64.1	5%	0.048	31%	0.312	C	S	.	.	H	α-helix	trans	-61.4	-47.5	173.9	171.8	0	0	0	0	111.5	F38 L51 I52 Y57 L58 K59 I92 E95 A96	F38-V55 HydrophobicContact CE1-CG2 4.39Å; F38-V55 HydrophobicContact CE2-CG2 3.89Å; F38-V55 HydrophobicContact CZ-CG2 3.54Å; L51-V55 PolarHBondContact O-N 3.45Å; L51-V55 VanDerWaalsContact O-N 3.11Å; I52-V55 PolarHBondContact O-N 3.42Å; V55-Y57 VanDerWaalsContact C-N 3.27Å; V55-Y57 PolarHBondContact O-N 2.99Å; V55-L58 PolarHBondContact O-N 3.34Å; V55-K59 HydrophobicContact CG1-CD 4.16Å; V55-K59 WeakPolarHBondContact O-CG 3.33Å; V55-K59 PolarHBondContact O-N 3.09Å; V55-I92 HydrophobicContact CG2-CG2 3.98Å; V55-E95 HydrophobicContact CG1-CB 4.24Å; V55-E95 HydrophobicContact CG1-CG 3.6Å; V55-E95 HydrophobicContact CG2-CB 4.35Å; V55-E95 HydrophobicContact CG2-CG 4.25Å; V55-A96 HydrophobicContact CG1-CB 4.34Å
56	D	89.3	Confident	86.4	Confident	44 Å²	44	69.7 Å²	69.7	24%	0.235	33%	0.334	C	S	.	.	H	α-helix	trans	-62.1	-37.4	179.8	-168	48.1	0	0	0	111.3	I52 K59 Q60 K63 Y64	I52-D56 PolarHBondContact O-N 2.87Å; D56-K59 PolarHBondContact O-N 3.02Å; D56-Q60 PolarHBondContact O-N 2.97Å; D56-K63 IonicContact OD1-NZ 3.5Å; D56-K63 IonicContact OD2-NZ 2.91Å; D56-K63 PolarHBondContact OD2-NZ 3.45Å; D56-Y64 HydrophobicContact CB-CE2 4.43Å; D56-Y64 PolarHBondContact OD2-OH 3.25Å
57	Y	85.3	Confident	86.1	Confident	9 Å²	9	70.9 Å²	70.9	4%	0.035	34%	0.344	C	S	.	.	H	α-helix	trans	-63.9	-47.2	173.1	178.7	-91.9	0	0	0	112.7	Q53 I54 V55 K59 Q60 P61 Y64 L71 P172 I177	Q53-Y57 WeakPolarHBondContact O-CB 3.49Å; Q53-Y57 PolarHBondContact O-N 3.14Å; I54-Y57 PolarHBondContact O-N 3.34Å; V55-Y57 VanDerWaalsContact C-N 3.27Å; V55-Y57 PolarHBondContact O-N 2.99Å; Y57-K59 VanDerWaalsContact C-N 3.26Å; Y57-K59 PolarHBondContact O-N 2.84Å; Y57-Q60 CarbonylContact O-C 3.54Å; Y57-Q60 VanDerWaalsContact O-C 3.29Å; Y57-Q60 PolarHBondContact O-N 3.35Å; Y57-P61 HydrophobicContact CE2-CB 4.38Å; Y57-P61 VanDerWaalsContact O-CA 3.3Å; Y57-P61 WeakPolarHBondContact O-CA 3.49Å; Y57-P61 VanDerWaalsContact O-CD 3.28Å; Y57-P61 WeakPolarHBondContact O-CD 3.33Å; Y57-Y64 HydrophobicContact CD2-CD1 4.49Å; Y57-Y64 AromaticContact CD2-CD2 3.7Å; Y57-Y64 HydrophobicContact CD2-CD2 3.7Å; Y57-Y64 HydrophobicContact CD2-CE2 4.45Å; Y57-Y64 AromaticContact CD2-CG 3.73Å; Y57-Y64 HydrophobicContact CD2-CG 3.73Å; Y57-Y64 HydrophobicContact CE2-CG 4.45Å; Y57-Y64 HydrophobicContact CG-CD2 4.41Å; Y57-L71 HydrophobicContact CD1-CD2 3.61Å; Y57-L71 HydrophobicContact CD1-CG 4.43Å; Y57-L71 HydrophobicContact CD2-CB 4.38Å; Y57-L71 HydrophobicContact CD2-CD1 3.7Å; Y57-L71 HydrophobicContact CD2-CD2 4.27Å; Y57-L71 HydrophobicContact CD2-CG 4.3Å; Y57-L71 HydrophobicContact CE1-CD2 4.35Å; Y57-L71 HydrophobicContact CE2-CB 4.47Å; Y57-L71 HydrophobicContact CG-CB 4.41Å; Y57-L71 HydrophobicContact CG-CD1 3.73Å; Y57-L71 HydrophobicContact CG-CD2 3.55Å; Y57-L71 HydrophobicContact CG-CG 4.06Å; Y57-P172 PolarHBondContact OH-O 3.49Å; Y57-I177 HydrophobicContact CD1-CD1 4.05Å
58	L	86.3	Confident	85.4	Confident	8 Å²	8	73.2 Å²	73.2	4%	0.042	37%	0.369	C	S	.	.	H	α-helix	trans	-61.3	-36.1	177.9	-73.7	168.4	0	0	0	111.9	I54 V55 I92 A96 V98 P132 V134 I177	I54-L58 HydrophobicContact CG2-CD1 4.32Å; I54-L58 WeakPolarHBondContact O-CG 3.03Å; I54-L58 PolarHBondContact O-N 3.15Å; V55-L58 PolarHBondContact O-N 3.34Å; L58-I92 HydrophobicContact CD1-CG2 4.16Å; L58-A96 HydrophobicContact CB-CB 3.7Å; L58-A96 HydrophobicContact CD1-CB 3.9Å; L58-A96 HydrophobicContact CG-CB 4.47Å; L58-V98 HydrophobicContact CB-CG1 4.35Å; L58-V98 HydrophobicContact CD1-CG2 4.21Å; L58-P132 HydrophobicContact CD2-CB 4.49Å; L58-V134 HydrophobicContact CD1-CG2 3.72Å; L58-I177 HydrophobicContact CD1-CD1 3.97Å; L58-I177 HydrophobicContact CD2-CD1 3.62Å; L58-I177 HydrophobicContact CD2-CG1 3.88Å; L58-I177 HydrophobicContact CG-CD1 3.59Å; L58-I177 HydrophobicContact CG-CG1 4.37Å
59	K	88.5	Confident	84.6	Confident	101 Å²	101	73.8 Å²	73.8	44%	0.439	38%	0.382	S	S	.	.	H	α-helix	trans	-72	-37.9	175.1	-71.7	-179.3	-179.7	177.9	0	112.8	V55 D56 Y57 E95	V55-K59 HydrophobicContact CG1-CD 4.16Å; V55-K59 WeakPolarHBondContact O-CG 3.33Å; V55-K59 PolarHBondContact O-N 3.09Å; D56-K59 PolarHBondContact O-N 3.02Å; Y57-K59 VanDerWaalsContact C-N 3.26Å; Y57-K59 PolarHBondContact O-N 2.84Å; K59-E95 WeakPolarHBondContact CE-O 3.46Å; K59-E95 PolarHBondContact NZ-O 3.33Å; K59-E95 IonicContact NZ-OE1 3.67Å; K59-E95 PolarHBondContact NZ-OE1 2.99Å; K59-E95 VanDerWaalsContact NZ-OE1 3.08Å
60	Q	85.4	Confident	83.8	Confident	103 Å²	103	77.5 Å²	77.5	48%	0.481	39%	0.391	S	S	.	.			trans	-139.6	67.2	-171.8	-62.1	-173.1	-8.1	0	0	112.7	D56 Y57 E62 K63	D56-Q60 PolarHBondContact O-N 2.97Å; Y57-Q60 CarbonylContact O-C 3.54Å; Y57-Q60 VanDerWaalsContact O-C 3.29Å; Y57-Q60 PolarHBondContact O-N 3.35Å; Q60-E62 VanDerWaalsContact C-N 3.27Å; Q60-E62 PolarHBondContact O-N 2.96Å; Q60-K63 HydrophobicContact CB-CB 4.27Å; Q60-K63 WeakPolarHBondContact O-CB 3.32Å; Q60-K63 PolarHBondContact O-N 3.39Å
61	P	80.1	Confident	83.2	Confident	49 Å²	49	73.9 Å²	73.9	32%	0.318	37%	0.374	S	S	.	.	H	α-helix	trans	-61.2	-35.7	-175	21.7	-32.4	0	0	0	112.5	Y57 K63 Y64 S65	Y57-P61 HydrophobicContact CE2-CB 4.38Å; Y57-P61 VanDerWaalsContact O-CA 3.3Å; Y57-P61 WeakPolarHBondContact O-CA 3.49Å; Y57-P61 VanDerWaalsContact O-CD 3.28Å; Y57-P61 WeakPolarHBondContact O-CD 3.33Å; P61-K63 VanDerWaalsContact C-N 3.26Å; P61-K63 PolarHBondContact O-N 3.1Å; P61-Y64 PolarHBondContact O-N 2.92Å; P61-S65 PolarHBondContact O-N 3.25Å; P61-S65 VanDerWaalsContact O-N 3.15Å; P61-S65 PolarHBondContact O-OG 3.14Å
62	E	81.6	Confident	82.7	Confident	133 Å²	133	75.8 Å²	75.8	62%	0.621	39%	0.386	S	S	*	.	H	α-helix	trans	-59.5	-32.5	-179.4	-61.5	-170.9	-172.2	0	0	114.2	Q60 Y64 S65 K66	Q60-E62 VanDerWaalsContact C-N 3.27Å; Q60-E62 PolarHBondContact O-N 2.96Å; E62-Y64 VanDerWaalsContact C-N 3.28Å; E62-Y64 PolarHBondContact O-N 3.44Å; E62-S65 PolarHBondContact O-N 2.88Å; E62-K66 VanDerWaalsContact O-CG 3.29Å; E62-K66 WeakPolarHBondContact O-CG 3.33Å; E62-K66 PolarHBondContact O-N 3.33Å; E62-K66 VanDerWaalsContact O-N 3.14Å; E62-K66 IonicContact OE2-NZ 2.71Å
63	K	83.2	Confident	82.4	Confident	103 Å²	103	73 Å²	73	45%	0.448	37%	0.371	S	S	.	.	H	α-helix	trans	-61.3	-40.7	-178.8	178	-175.3	170	-167.7	0	110.8	D56 Q60 P61	D56-K63 IonicContact OD1-NZ 3.5Å; D56-K63 IonicContact OD2-NZ 2.91Å; D56-K63 PolarHBondContact OD2-NZ 3.45Å; Q60-K63 HydrophobicContact CB-CB 4.27Å; Q60-K63 WeakPolarHBondContact O-CB 3.32Å; Q60-K63 PolarHBondContact O-N 3.39Å; P61-K63 VanDerWaalsContact C-N 3.26Å; P61-K63 PolarHBondContact O-N 3.1Å
64	Y	80.1	Confident	82.7	Confident	52 Å²	52	66.9 Å²	66.9	20%	0.204	34%	0.342	C	S	.	.	H	α-helix	trans	-81.2	-39.4	-179.5	-68.5	-93.8	0	0	0	111.9	D56 Y57 P61 E62 K66 L67 G68 G69 L71	D56-Y64 HydrophobicContact CB-CE2 4.43Å; D56-Y64 PolarHBondContact OD2-OH 3.25Å; Y57-Y64 HydrophobicContact CD2-CD1 4.49Å; Y57-Y64 AromaticContact CD2-CD2 3.7Å; Y57-Y64 HydrophobicContact CD2-CD2 3.7Å; Y57-Y64 HydrophobicContact CD2-CE2 4.45Å; Y57-Y64 AromaticContact CD2-CG 3.73Å; Y57-Y64 HydrophobicContact CD2-CG 3.73Å; Y57-Y64 HydrophobicContact CE2-CG 4.45Å; Y57-Y64 HydrophobicContact CG-CD2 4.41Å; P61-Y64 PolarHBondContact O-N 2.92Å; E62-Y64 VanDerWaalsContact C-N 3.28Å; E62-Y64 PolarHBondContact O-N 3.44Å; Y64-K66 VanDerWaalsContact C-N 3.29Å; Y64-K66 PolarHBondContact O-N 2.9Å; Y64-L67 PolarHBondContact O-N 3.17Å; Y64-G68 PolarHBondContact O-N 3.14Å; Y64-G69 PolarHBondContact O-N 3.21Å; Y64-G69 VanDerWaalsContact O-N 3.17Å; Y64-L71 HydrophobicContact CD1-CD1 4.42Å
65	S	77.8	Confident	83	Confident	60 Å²	60	66.7 Å²	66.7	42%	0.42	34%	0.341	S	S	.	.	H	α-helix	trans	-59.8	-36.3	177.2	-58.5	0	0	0	0	112.9	P61 E62 L67 G68	P61-S65 PolarHBondContact O-N 3.25Å; P61-S65 VanDerWaalsContact O-N 3.15Å; P61-S65 PolarHBondContact O-OG 3.14Å; E62-S65 PolarHBondContact O-N 2.88Å; S65-L67 VanDerWaalsContact C-N 3.27Å; S65-L67 PolarHBondContact O-N 3.19Å; S65-G68 PolarHBondContact O-N 3.03Å; S65-G68 VanDerWaalsContact O-N 3.1Å
66	K	81	Confident	83.3	Confident	164 Å²	164	66.4 Å²	66.4	71%	0.713	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-31.2	178.2	-76.9	170.3	-171.4	168.7	0	113.8	E62 Y64	E62-K66 VanDerWaalsContact O-CG 3.29Å; E62-K66 WeakPolarHBondContact O-CG 3.33Å; E62-K66 PolarHBondContact O-N 3.33Å; E62-K66 VanDerWaalsContact O-N 3.14Å; E62-K66 IonicContact OE2-NZ 2.71Å; Y64-K66 VanDerWaalsContact C-N 3.29Å; Y64-K66 PolarHBondContact O-N 2.9Å
67	L	81.5	Confident	83.6	Confident	159 Å²	159	64.3 Å²	64.3	83%	0.832	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-3.3	178.3	-67	175.4	0	0	0	113	Y64 S65 G69	Y64-L67 PolarHBondContact O-N 3.17Å; S65-L67 VanDerWaalsContact C-N 3.27Å; S65-L67 PolarHBondContact O-N 3.19Å; L67-G69 PolarHBondContact O-N 2.96Å
68	G	77.2	Confident	84.1	Confident	58 Å²	58	64.6 Å²	64.6	60%	0.598	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	13.8	-173.2	0	0	0	0	0	113.9	Y64 S65	Y64-G68 PolarHBondContact O-N 3.14Å; S65-G68 PolarHBondContact O-N 3.03Å; S65-G68 VanDerWaalsContact O-N 3.1Å
69	G	73.1	Confident	84.5	Confident	39 Å²	39	64.5 Å²	64.5	40%	0.402	33%	0.332	S	S	.	.			trans	-66.2	133.6	175	0	0	0	0	0	110.6	Y64 L67	Y64-G69 PolarHBondContact O-N 3.21Å; Y64-G69 VanDerWaalsContact O-N 3.17Å; L67-G69 PolarHBondContact O-N 2.96Å
70	R	73.4	Confident	84.7	Confident	216 Å²	216	61.1 Å²	61.1	82%	0.815	32%	0.321	S	S	*	.			trans	-109.5	125.2	171.4	-62.9	-177.8	-178	-171.3	-2.4	107.9
71	L	75.8	Confident	85	Confident	24 Å²	24	60.3 Å²	60.3	13%	0.126	32%	0.324	C	S	.	.			trans	-76.1	156.9	172.3	-129.8	79.3	0	0	0	110.2	I54 Y57 Y64 K73 I177	I54-L71 HydrophobicContact CB-CD2 4.49Å; I54-L71 HydrophobicContact CG1-CD2 4.26Å; I54-L71 HydrophobicContact CG2-CD2 4.48Å; Y57-L71 HydrophobicContact CD1-CD2 3.61Å; Y57-L71 HydrophobicContact CD1-CG 4.43Å; Y57-L71 HydrophobicContact CD2-CB 4.38Å; Y57-L71 HydrophobicContact CD2-CD1 3.7Å; Y57-L71 HydrophobicContact CD2-CD2 4.27Å; Y57-L71 HydrophobicContact CD2-CG 4.3Å; Y57-L71 HydrophobicContact CE1-CD2 4.35Å; Y57-L71 HydrophobicContact CE2-CB 4.47Å; Y57-L71 HydrophobicContact CG-CB 4.41Å; Y57-L71 HydrophobicContact CG-CD1 3.73Å; Y57-L71 HydrophobicContact CG-CD2 3.55Å; Y57-L71 HydrophobicContact CG-CG 4.06Å; Y64-L71 HydrophobicContact CD1-CD1 4.42Å; L71-K73 PolarHBondContact O-N 3.25Å; L71-I177 HydrophobicContact CD2-CD1 3.76Å
72	P	81.4	Confident	85.6	Confident	39 Å²	39	59.5 Å²	59.5	25%	0.253	32%	0.324	S	S	.	.			trans	-53	132.8	166.1	-26.4	39.2	0	0	0	109.9	G74 D199 L200	P72-G74 VanDerWaalsContact C-N 3.3Å; P72-D199 WeakPolarHBondContact CA-OD1 3.39Å; P72-D199 WeakPolarHBondContact CB-OD1 3.18Å; P72-L200 HydrophobicContact CB-CB 3.91Å; P72-L200 HydrophobicContact CG-CB 4Å; P72-L200 HydrophobicContact CG-CD2 4.46Å
73	K	84.8	Confident	86.2	Confident	32 Å²	32	53.8 Å²	53.8	14%	0.139	30%	0.298	C	S	.	.	S	Bend	trans	-71.3	-33.4	175.8	-68.6	-155.3	-161.5	-179.7	0	111.2	L71 M167 D168 F170 P172 V178 G196 D199	L71-K73 PolarHBondContact O-N 3.25Å; K73-M167 HydrophobicContact CB-CE 4.31Å; K73-M167 WeakPolarHBondContact CD-O 3.34Å; K73-M167 PolarHBondContact NZ-O 2.95Å; K73-D168 PolarHBondContact NZ-O 3.11Å; K73-F170 HydrophobicContact CB-CE2 4.12Å; K73-F170 HydrophobicContact CB-CZ 3.83Å; K73-F170 HydrophobicContact CD-CD2 4.31Å; K73-F170 HydrophobicContact CD-CE1 4.38Å; K73-F170 HydrophobicContact CD-CE2 3.88Å; K73-F170 HydrophobicContact CD-CZ 3.91Å; K73-F170 VanDerWaalsContact CE-O 3.31Å; K73-F170 WeakPolarHBondContact CE-O 3.33Å; K73-F170 HydrophobicContact CG-CE2 4.17Å; K73-F170 HydrophobicContact CG-CZ 4.28Å; K73-F170 PolarHBondContact NZ-O 3.24Å; K73-P172 HydrophobicContact CG-CG 4.28Å; K73-V178 PolarHBondContact O-N 2.98Å; K73-G196 WeakPolarHBondContact CD-O 3.25Å; K73-D199 PolarHBondContact N-OD1 3.09Å
74	G	92.2	Very high	86.6	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	138.8	-174.8	0	0	0	0	0	112.6	P72 V178 R197 F198 D199 L200	P72-G74 VanDerWaalsContact C-N 3.3Å; G74-V178 CarbonylContact C-O 3.53Å; G74-V178 WeakPolarHBondContact CA-O 3.32Å; G74-R197 WeakPolarHBondContact CA-O 3.33Å; G74-R197 PolarHBondContact N-O 3.08Å; G74-F198 WeakPolarHBondContact O-CA 3.3Å; G74-D199 PolarHBondContact O-N 3.26Å; G74-L200 PolarHBondContact O-N 2.96Å
75	V	94.5	Very high	87.3	Confident	0 Å²	0	48 Å²	48	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	126.9	173.3	-169.1	0	0	0	0	109.2	L51 I54 L77 V178 L179 A180 L200 L202	L51-V75 HydrophobicContact CD2-CG1 4.28Å; I54-V75 HydrophobicContact CD1-CG2 3.34Å; V75-L77 HydrophobicContact CG1-CD2 4.2Å; V75-V178 PolarHBondContact N-O 2.83Å; V75-L179 HydrophobicContact CB-CD2 3.52Å; V75-L179 HydrophobicContact CG1-CD2 4.39Å; V75-L179 HydrophobicContact CG2-CD2 3.61Å; V75-L179 CarbonylContact O-C 3.37Å; V75-L179 WeakPolarHBondContact O-CA 2.99Å; V75-A180 PolarHBondContact O-N 2.81Å; V75-L200 CarbonylContact C-O 3.53Å; V75-L200 WeakPolarHBondContact CA-O 3.34Å; V75-L200 HydrophobicContact CG1-CB 4.27Å; V75-L200 HydrophobicContact CG1-CD2 3.95Å; V75-L200 HydrophobicContact CG1-CG 4.05Å; V75-L200 HydrophobicContact CG2-CB 4.31Å; V75-L200 HydrophobicContact CG2-CD2 4.03Å; V75-L202 HydrophobicContact CG1-CD1 3.99Å; V75-L202 HydrophobicContact CG1-CG 4.1Å
76	L	95.7	Very high	88.1	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	117.2	173.7	-176	70	0	0	0	110.2	V78 I140 A180 T182 L188 L193 F198 L200 Q201 L202	L76-V78 HydrophobicContact CD2-CG2 3.75Å; L76-V78 HydrophobicContact CG-CG2 3.76Å; L76-I140 HydrophobicContact CD1-CG2 3.94Å; L76-A180 CarbonylContact C-O 3.53Å; L76-A180 WeakPolarHBondContact CA-O 3.02Å; L76-A180 HydrophobicContact CD1-CB 3.95Å; L76-T182 HydrophobicContact CD1-CG2 4.14Å; L76-L188 HydrophobicContact CD1-CD1 4.16Å; L76-L188 HydrophobicContact CD2-CD1 3.82Å; L76-L193 HydrophobicContact CD2-CD2 3.57Å; L76-F198 HydrophobicContact CB-CB 4.01Å; L76-F198 HydrophobicContact CB-CD1 4.23Å; L76-F198 HydrophobicContact CB-CG 4.28Å; L76-L200 PolarHBondContact N-O 3.28Å; L76-Q201 HydrophobicContact CB-CG 4.24Å; L76-Q201 HydrophobicContact CD2-CG 4.46Å; L76-Q201 WeakPolarHBondContact O-CA 3.24Å; L76-L202 PolarHBondContact O-N 2.92Å
77	L	96.6	Very high	88.7	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	111.3	171.8	-53.9	-178.6	0	0	0	109	V75 K85 L88 F136 A180 A181 T182 L202 L204	V75-L77 HydrophobicContact CG1-CD2 4.2Å; L77-K85 HydrophobicContact CB-CB 4.48Å; L77-K85 HydrophobicContact CB-CD 4.23Å; L77-K85 HydrophobicContact CB-CG 4.34Å; L77-K85 HydrophobicContact CD1-CB 4.36Å; L77-L88 HydrophobicContact CD1-CD2 4.22Å; L77-L88 HydrophobicContact CD2-CD2 4.18Å; L77-F136 HydrophobicContact CD1-CE2 4.38Å; L77-A180 PolarHBondContact N-O 3.2Å; L77-A181 HydrophobicContact CB-CB 4.42Å; L77-A181 VanDerWaalsContact O-CA 3.32Å; L77-A181 WeakPolarHBondContact O-CA 3.34Å; L77-T182 PolarHBondContact O-N 3.18Å; L77-L202 HydrophobicContact CD2-CB 4.05Å; L77-L202 HydrophobicContact CD2-CD1 3.95Å; L77-L202 HydrophobicContact CD2-CG 4.44Å; L77-L204 HydrophobicContact CB-CD1 4.33Å
78	V	95.8	Very high	89.3	Confident	15 Å²	15	34.7 Å²	34.7	9%	0.091	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	130.2	-179.3	-178.9	0	0	0	0	108.8	L76 T182 R185 L202 V203 L204	L76-V78 HydrophobicContact CD2-CG2 3.75Å; L76-V78 HydrophobicContact CG-CG2 3.76Å; V78-T182 HydrophobicContact CG2-CG2 4.04Å; V78-R185 HydrophobicContact CG1-CB 3.76Å; V78-R185 HydrophobicContact CG2-CB 4.27Å; V78-R185 HydrophobicContact CG2-CG 4.44Å; V78-L202 PolarHBondContact N-O 3.48Å; V78-V203 HydrophobicContact CB-CG2 4.44Å; V78-V203 CarbonylContact O-C 3.59Å; V78-V203 WeakPolarHBondContact O-CA 3.47Å; V78-L204 PolarHBondContact O-N 2.93Å
79	G	93.8	Very high	90.1	Very high	7 Å²	7	32 Å²	32	7%	0.072	19%	0.186	C	C	.	.			trans	172.1	169.8	173.2	0	0	0	0	0	112.5	K85 T182 N183 L204	G79-K85 PolarHBondContact O-NZ 3.34Å; G79-T182 PolarHBondContact N-O 3.04Å; G79-N183 WeakPolarHBondContact O-CA 3.38Å; G79-N183 PolarHBondContact O-OD1 3.3Å; G79-L204 VanDerWaalsContact CA-O 3.29Å; G79-L204 WeakPolarHBondContact CA-O 3.43Å
80	P	92.6	Very high	91.1	Very high	30 Å²	30	34.2 Å²	34.2	20%	0.195	18%	0.182	C	C	.	.			trans	-61.2	164.8	179.5	24.2	-28.5	0	0	0	112.1	I83 K85 L204 Y206	P80-I83 HydrophobicContact CG-CG2 3.76Å; P80-I83 WeakPolarHBondContact O-CG1 3.5Å; P80-K85 PolarHBondContact O-NZ 3.03Å; P80-L204 WeakPolarHBondContact CD-O 3.49Å; P80-Y206 HydrophobicContact CB-CE1 4.4Å; P80-Y206 HydrophobicContact CB-CE2 4.2Å; P80-Y206 HydrophobicContact CG-CD2 4.18Å; P80-Y206 HydrophobicContact CG-CE1 4.12Å; P80-Y206 HydrophobicContact CG-CE2 3.74Å
81	P	92.7	Very high	92.1	Very high	86 Å²	86	23.9 Å²	23.9	56%	0.558	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	154.9	176.1	27.7	-35.3	0	0	0	111.5	I83	P81-I83 VanDerWaalsContact C-N 3.28Å; P81-I83 PolarHBondContact O-N 3.31Å
82	G	93.2	Very high	92.9	Very high	31 Å²	31	22.8 Å²	22.8	32%	0.32	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	-0.4	173.2	0	0	0	0	0	116.7	G84 G243 A244	G82-G84 VanDerWaalsContact C-N 3.28Å; G82-G84 PolarHBondContact O-N 3.38Å; G82-G243 PolarHBondContact O-N 2.97Å; G82-A244 PolarHBondContact O-N 3.35Å
83	I	93	Very high	93.5	Very high	13 Å²	13	20.9 Å²	20.9	7%	0.067	13%	0.126	C	C	.	.	S	Bend	trans	-82.5	2	179.3	62.4	85.4	0	0	0	114.8	P80 P81 K85 L204 Y206	P80-I83 HydrophobicContact CG-CG2 3.76Å; P80-I83 WeakPolarHBondContact O-CG1 3.5Å; P81-I83 VanDerWaalsContact C-N 3.28Å; P81-I83 PolarHBondContact O-N 3.31Å; I83-K85 HydrophobicContact CD1-CB 4.48Å; I83-K85 HydrophobicContact CD1-CD 4.23Å; I83-K85 HydrophobicContact CD1-CG 3.35Å; I83-K85 HydrophobicContact CG1-CG 4.16Å; I83-L204 HydrophobicContact CD1-CB 3.37Å; I83-L204 HydrophobicContact CD1-CD1 3.37Å; I83-L204 HydrophobicContact CD1-CG 3.99Å; I83-L204 HydrophobicContact CG1-CB 4.3Å; I83-Y206 HydrophobicContact CG2-CD1 4.48Å
84	G	93.2	Very high	93.9	Very high	22 Å²	22	20.5 Å²	20.5	23%	0.227	13%	0.131	C	C	.	.	S	Bend	trans	89.6	27.3	174.9	0	0	0	0	0	116.1	G82 T86 L87 L88	G82-G84 VanDerWaalsContact C-N 3.28Å; G82-G84 PolarHBondContact O-N 3.38Å; G84-T86 PolarHBondContact O-N 3.35Å; G84-L87 PolarHBondContact O-N 3.29Å; G84-L88 WeakPolarHBondContact O-CB 3.48Å; G84-L88 PolarHBondContact O-N 3.15Å
85	K	94.9	Very high	94	Very high	11 Å²	11	23.6 Å²	23.6	5%	0.048	15%	0.145	C	C	.	.	H	α-helix	trans	-55.1	-52.8	176.2	-62.2	-170.7	-73.5	-79.8	0	112.6	L77 G79 P80 I83 L87 L88 A89 A181 N183 L204	L77-K85 HydrophobicContact CB-CB 4.48Å; L77-K85 HydrophobicContact CB-CD 4.23Å; L77-K85 HydrophobicContact CB-CG 4.34Å; L77-K85 HydrophobicContact CD1-CB 4.36Å; G79-K85 PolarHBondContact O-NZ 3.34Å; P80-K85 PolarHBondContact O-NZ 3.03Å; I83-K85 HydrophobicContact CD1-CB 4.48Å; I83-K85 HydrophobicContact CD1-CD 4.23Å; I83-K85 HydrophobicContact CD1-CG 3.35Å; I83-K85 HydrophobicContact CG1-CG 4.16Å; K85-L87 VanDerWaalsContact C-N 3.32Å; K85-L87 PolarHBondContact O-N 2.94Å; K85-L88 PolarHBondContact O-N 3.12Å; K85-A89 PolarHBondContact O-N 2.97Å; K85-A181 HydrophobicContact CB-CB 3.93Å; K85-A181 HydrophobicContact CD-CB 3.88Å; K85-A181 HydrophobicContact CG-CB 4.5Å; K85-N183 PolarHBondContact NZ-OD1 3.4Å; K85-L204 HydrophobicContact CG-CD1 3.99Å
86	T	93	Very high	93.8	Very high	46 Å²	46	24.1 Å²	24.1	28%	0.282	15%	0.15	S	C	.	.	H	α-helix	trans	-64.8	-37.1	178.2	-38.7	0	0	0	0	111.5	G84 A89 R90 F136 D138	G84-T86 PolarHBondContact O-N 3.35Å; T86-A89 PolarHBondContact O-N 3.28Å; T86-R90 WeakPolarHBondContact O-CG 3.3Å; T86-R90 PolarHBondContact O-N 2.95Å; T86-R90 VanDerWaalsContact O-N 3.09Å; T86-F136 HydrophobicContact CG2-CD1 4.4Å; T86-F136 HydrophobicContact CG2-CE1 3.75Å; T86-F136 HydrophobicContact CG2-CZ 4.45Å; T86-D138 PolarHBondContact OG1-OD2 2.86Å
87	L	93.5	Very high	93.6	Very high	59 Å²	59	26.4 Å²	26.4	31%	0.309	17%	0.174	S	C	.	.	H	α-helix	trans	-64.7	-45.8	176.3	-174.3	71	0	0	0	111.1	V36 V41 G84 K85 R90 A91	V36-L87 HydrophobicContact CG1-CD1 3.67Å; V36-L87 HydrophobicContact CG1-CG 4.35Å; V36-L87 HydrophobicContact CG2-CD1 4.48Å; V41-L87 HydrophobicContact CG2-CD2 4.14Å; V41-L87 HydrophobicContact CG2-CG 4Å; G84-L87 PolarHBondContact O-N 3.29Å; K85-L87 VanDerWaalsContact C-N 3.32Å; K85-L87 PolarHBondContact O-N 2.94Å; L87-R90 PolarHBondContact O-N 3.16Å; L87-A91 VanDerWaalsContact O-CB 3.3Å; L87-A91 WeakPolarHBondContact O-CB 3.3Å; L87-A91 PolarHBondContact O-N 3.05Å
88	L	94.9	Very high	93.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.7	-44.8	176.6	-179.5	65.6	0	0	0	111.5	F38 V41 I44 K48 L51 L77 G84 K85 R90 A91 I92 L204	F38-L88 HydrophobicContact CE1-CD1 4.47Å; V41-L88 HydrophobicContact CG1-CD1 4.05Å; I44-L88 HydrophobicContact CD1-CB 4.15Å; I44-L88 HydrophobicContact CD1-CD1 4.01Å; I44-L88 HydrophobicContact CD1-CD2 3.77Å; I44-L88 HydrophobicContact CD1-CG 4.2Å; K48-L88 HydrophobicContact CG-CD1 4.11Å; L51-L88 HydrophobicContact CD1-CD1 3.79Å; L51-L88 HydrophobicContact CD1-CD2 3.46Å; L51-L88 VanDerWaalsContact CD1-CD2 3.46Å; L51-L88 HydrophobicContact CD1-CG 3.76Å; L77-L88 HydrophobicContact CD1-CD2 4.22Å; L77-L88 HydrophobicContact CD2-CD2 4.18Å; G84-L88 WeakPolarHBondContact O-CB 3.48Å; G84-L88 PolarHBondContact O-N 3.15Å; K85-L88 PolarHBondContact O-N 3.12Å; L88-R90 PolarHBondContact O-N 3.11Å; L88-A91 WeakPolarHBondContact O-CB 3.16Å; L88-A91 PolarHBondContact O-N 3.11Å; L88-A91 VanDerWaalsContact O-N 3.17Å; L88-I92 WeakPolarHBondContact O-CG1 3.5Å; L88-I92 PolarHBondContact O-N 2.87Å; L88-L204 HydrophobicContact CD2-CD1 4.15Å
89	A	94	Very high	93.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.1	-44	177	0	0	0	0	0	112.4	K85 T86 A91 I92 A93 F100 F136 L179	K85-A89 PolarHBondContact O-N 2.97Å; T86-A89 PolarHBondContact O-N 3.28Å; A89-A91 VanDerWaalsContact C-N 3.33Å; A89-I92 PolarHBondContact O-N 3.12Å; A89-A93 PolarHBondContact O-N 3.14Å; A89-F100 HydrophobicContact CB-CE2 4.1Å; A89-F100 HydrophobicContact CB-CZ 4.37Å; A89-F136 HydrophobicContact CB-CB 4.21Å; A89-F136 HydrophobicContact CB-CD1 4.3Å; A89-F136 HydrophobicContact CB-CD2 3.27Å; A89-F136 HydrophobicContact CB-CE2 3.58Å; A89-F136 HydrophobicContact CB-CG 3.66Å; A89-F136 HydrophobicContact CB-CZ 4.2Å; A89-L179 HydrophobicContact CB-CD1 3.82Å
90	R	93.7	Very high	93.3	Very high	86 Å²	86	26.1 Å²	26.1	33%	0.325	17%	0.171	S	C	.	.	H	α-helix	trans	-63.1	-40.8	173.7	-73.2	-179.4	74.4	171	3.7	112	T86 L87 L88 I92 A93 G94 F100	T86-R90 WeakPolarHBondContact O-CG 3.3Å; T86-R90 PolarHBondContact O-N 2.95Å; T86-R90 VanDerWaalsContact O-N 3.09Å; L87-R90 PolarHBondContact O-N 3.16Å; L88-R90 PolarHBondContact O-N 3.11Å; R90-I92 VanDerWaalsContact C-N 3.35Å; R90-I92 PolarHBondContact O-N 3.27Å; R90-A93 PolarHBondContact O-N 2.92Å; R90-G94 PolarHBondContact O-N 3.27Å; R90-F100 HydrophobicContact CB-CZ 4.4Å; R90-F100 HydrophobicContact CG-CD1 4.05Å; R90-F100 HydrophobicContact CG-CE1 3.37Å; R90-F100 HydrophobicContact CG-CE2 4.14Å; R90-F100 HydrophobicContact CG-CZ 3.43Å; R90-F100 VanDerWaalsContact CG-CZ 3.43Å
91	A	93.8	Very high	93.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65.3	-35.6	-180	0	0	0	0	0	112.6	V36 N37 F38 V41 L87 L88 A89 A93 G94 E95	V36-A91 HydrophobicContact CG1-CB 4.03Å; N37-A91 WeakPolarHBondContact O-CB 3.41Å; F38-A91 HydrophobicContact CD1-CB 3.81Å; F38-A91 HydrophobicContact CE1-CB 4.22Å; V41-A91 HydrophobicContact CG2-CB 3.53Å; L87-A91 VanDerWaalsContact O-CB 3.3Å; L87-A91 WeakPolarHBondContact O-CB 3.3Å; L87-A91 PolarHBondContact O-N 3.05Å; L88-A91 WeakPolarHBondContact O-CB 3.16Å; L88-A91 PolarHBondContact O-N 3.11Å; L88-A91 VanDerWaalsContact O-N 3.17Å; A89-A91 VanDerWaalsContact C-N 3.33Å; A91-A93 VanDerWaalsContact C-N 3.34Å; A91-G94 PolarHBondContact O-N 3.41Å; A91-E95 WeakPolarHBondContact O-CB 3.43Å; A91-E95 PolarHBondContact O-N 2.95Å
92	I	94.1	Very high	93.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.1	-46.6	173.3	-66.4	162.7	0	0	0	110.2	F38 L51 I54 V55 L58 L88 A89 R90 A96 V134 L179	F38-I92 HydrophobicContact CE1-CB 4.33Å; F38-I92 HydrophobicContact CE1-CG1 3.71Å; F38-I92 HydrophobicContact CZ-CG1 3.93Å; L51-I92 HydrophobicContact CB-CD1 4.45Å; L51-I92 HydrophobicContact CD1-CD1 3.95Å; L51-I92 HydrophobicContact CD2-CD1 3.91Å; L51-I92 HydrophobicContact CG-CD1 4.33Å; I54-I92 HydrophobicContact CG2-CG2 4.37Å; V55-I92 HydrophobicContact CG2-CG2 3.98Å; L58-I92 HydrophobicContact CD1-CG2 4.16Å; L88-I92 WeakPolarHBondContact O-CG1 3.5Å; L88-I92 PolarHBondContact O-N 2.87Å; A89-I92 PolarHBondContact O-N 3.12Å; R90-I92 VanDerWaalsContact C-N 3.35Å; R90-I92 PolarHBondContact O-N 3.27Å; I92-A96 VanDerWaalsContact O-CB 3.26Å; I92-A96 WeakPolarHBondContact O-CB 3.49Å; I92-A96 PolarHBondContact O-N 2.98Å; I92-V134 HydrophobicContact CG2-CG2 4.23Å; I92-L179 HydrophobicContact CD1-CD1 3.57Å; I92-L179 HydrophobicContact CD1-CD2 4.39Å
93	A	93.5	Very high	93.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-67.3	-42.7	-179.8	0	0	0	0	0	112.4	I34 A89 R90 A91 A96 G97 V98 F100 V134	I34-A93 HydrophobicContact CD1-CB 3.87Å; A89-A93 PolarHBondContact O-N 3.14Å; R90-A93 PolarHBondContact O-N 2.92Å; A91-A93 VanDerWaalsContact C-N 3.34Å; A93-A96 PolarHBondContact O-N 2.9Å; A93-G97 PolarHBondContact O-N 2.79Å; A93-V98 HydrophobicContact CB-CG2 4.28Å; A93-V98 PolarHBondContact O-N 2.88Å; A93-V98 VanDerWaalsContact O-N 3.11Å; A93-F100 HydrophobicContact CB-CB 3.79Å; A93-F100 HydrophobicContact CB-CD2 3.74Å; A93-F100 HydrophobicContact CB-CG 4.13Å; A93-V134 HydrophobicContact CB-CB 4.06Å; A93-V134 HydrophobicContact CB-CG2 4.01Å
94	G	93.6	Very high	93.2	Very high	24 Å²	24	22 Å²	22	25%	0.247	14%	0.135	C	C	.	.	H	α-helix	trans	-65.4	-41	176.2	0	0	0	0	0	112.7	R90 A91 G97	R90-G94 PolarHBondContact O-N 3.27Å; A91-G94 PolarHBondContact O-N 3.41Å; G94-G97 PolarHBondContact O-N 2.89Å
95	E	93.2	Very high	92.8	Very high	64 Å²	64	20.9 Å²	20.9	30%	0.299	12%	0.124	S	C	.	.	H	α-helix	trans	-64.9	-40.6	175.3	-174.4	60.6	-136.9	0	0	111.4	F38 V55 K59 A91	F38-E95 HydrophobicContact CD1-CB 4.3Å; F38-E95 HydrophobicContact CD2-CG 4.18Å; F38-E95 HydrophobicContact CE1-CB 4.46Å; F38-E95 HydrophobicContact CE2-CG 4.41Å; F38-E95 HydrophobicContact CG-CB 4.43Å; F38-E95 HydrophobicContact CG-CG 4.31Å; V55-E95 HydrophobicContact CG1-CB 4.24Å; V55-E95 HydrophobicContact CG1-CG 3.6Å; V55-E95 HydrophobicContact CG2-CB 4.35Å; V55-E95 HydrophobicContact CG2-CG 4.25Å; K59-E95 WeakPolarHBondContact CE-O 3.46Å; K59-E95 PolarHBondContact NZ-O 3.33Å; K59-E95 IonicContact NZ-OE1 3.67Å; K59-E95 PolarHBondContact NZ-OE1 2.99Å; K59-E95 VanDerWaalsContact NZ-OE1 3.08Å; A91-E95 WeakPolarHBondContact O-CB 3.43Å; A91-E95 PolarHBondContact O-N 2.95Å
96	A	91.7	Very high	92.3	Very high	12 Å²	12	23 Å²	23	10%	0.099	14%	0.141	C	C	.	.	H	α-helix	trans	-76.9	-19	177.2	0	0	0	0	0	114.2	V55 L58 I92 A93 V98	V55-A96 HydrophobicContact CG1-CB 4.34Å; L58-A96 HydrophobicContact CB-CB 3.7Å; L58-A96 HydrophobicContact CD1-CB 3.9Å; L58-A96 HydrophobicContact CG-CB 4.47Å; I92-A96 VanDerWaalsContact O-CB 3.26Å; I92-A96 WeakPolarHBondContact O-CB 3.49Å; I92-A96 PolarHBondContact O-N 2.98Å; A93-A96 PolarHBondContact O-N 2.9Å; A96-V98 HydrophobicContact CB-CG1 4.15Å; A96-V98 HydrophobicContact CB-CG2 3.96Å
97	G	91.1	Very high	92	Very high	49 Å²	49	23.5 Å²	23.5	51%	0.505	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	33.9	-175.8	0	0	0	0	0	113.4	A93 G94	A93-G97 PolarHBondContact O-N 2.79Å; G94-G97 PolarHBondContact O-N 2.89Å
98	V	91.6	Very high	91.5	Very high	9 Å²	9	21.2 Å²	21.2	6%	0.055	13%	0.127	C	C	.	.			trans	-115.7	161.6	-176.1	-60.5	0	0	0	0	111.9	I34 L58 A93 A96 P132 V134	I34-V98 WeakPolarHBondContact CD1-O 3.36Å; L58-V98 HydrophobicContact CB-CG1 4.35Å; L58-V98 HydrophobicContact CD1-CG2 4.21Å; A93-V98 HydrophobicContact CB-CG2 4.28Å; A93-V98 PolarHBondContact O-N 2.88Å; A93-V98 VanDerWaalsContact O-N 3.11Å; A96-V98 HydrophobicContact CB-CG1 4.15Å; A96-V98 HydrophobicContact CB-CG2 3.96Å; V98-P132 WeakPolarHBondContact CB-O 3.42Å; V98-P132 HydrophobicContact CG1-CB 4.16Å; V98-P132 HydrophobicContact CG1-CG 4.03Å; V98-V134 HydrophobicContact CG2-CG2 3.9Å
99	A	93	Very high	90.6	Very high	6 Å²	6	27.1 Å²	27.1	5%	0.05	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	147	179.9	0	0	0	0	0	111	F101 R130 C133 V134	A99-F101 HydrophobicContact CB-CE2 4.32Å; A99-R130 HydrophobicContact CB-CG 3.74Å; A99-C133 HydrophobicContact CB-CB 3.95Å; A99-C133 WeakPolarHBondContact O-CA 3.35Å; A99-C133 WeakPolarHBondContact O-CB 3.24Å; A99-V134 PolarHBondContact O-N 2.69Å
100	F	94.2	Very high	89.6	Confident	1 Å²	1	30.1 Å²	30.1	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	117.8	-179.3	-179.1	-103.9	0	0	0	110.8	I29 I34 A89 R90 A93 H102 V134 F136	I29-F100 HydrophobicContact CB-CB 4.44Å; I29-F100 HydrophobicContact CB-CD1 4.43Å; I29-F100 HydrophobicContact CD1-CD1 4.02Å; I29-F100 HydrophobicContact CD1-CE1 4.47Å; I29-F100 HydrophobicContact CG1-CD1 4.44Å; I29-F100 PolarHBondContact N-O 3.42Å; I29-F100 PolarHBondContact O-N 3.26Å; I34-F100 HydrophobicContact CD1-CB 3.56Å; I34-F100 HydrophobicContact CG1-CB 4.5Å; A89-F100 HydrophobicContact CB-CE2 4.1Å; A89-F100 HydrophobicContact CB-CZ 4.37Å; R90-F100 HydrophobicContact CB-CZ 4.4Å; R90-F100 HydrophobicContact CG-CD1 4.05Å; R90-F100 HydrophobicContact CG-CE1 3.37Å; R90-F100 HydrophobicContact CG-CE2 4.14Å; R90-F100 HydrophobicContact CG-CZ 3.43Å; R90-F100 VanDerWaalsContact CG-CZ 3.43Å; A93-F100 HydrophobicContact CB-CB 3.79Å; A93-F100 HydrophobicContact CB-CD2 3.74Å; A93-F100 HydrophobicContact CB-CG 4.13Å; F100-H102 HydrophobicContact CD1-CB 4.27Å; F100-H102 HydrophobicContact CE1-CB 3.63Å; F100-H102 HydrophobicContact CZ-CB 4.24Å; F100-V134 WeakPolarHBondContact CA-O 3.17Å; F100-V134 HydrophobicContact CD2-CB 4.11Å; F100-V134 HydrophobicContact CD2-CG1 3.91Å; F100-V134 HydrophobicContact CE2-CG1 4.09Å; F100-F136 HydrophobicContact CE2-CB 3.58Å; F100-F136 HydrophobicContact CE2-CG 4.34Å; F100-F136 HydrophobicContact CZ-CB 3.64Å; F100-F136 HydrophobicContact CZ-CD1 4.17Å; F100-F136 HydrophobicContact CZ-CG 4.12Å
101	F	94.3	Very high	88.4	Confident	2 Å²	2	34 Å²	34	1%	0.009	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	128.5	173.1	-67.3	-89.1	0	0	0	109.2	V26 E28 A99 A126 A127 R130 C133 V134 L135 F136	V26-F101 HydrophobicContact CG1-CD1 3.55Å; V26-F101 HydrophobicContact CG1-CE1 4.12Å; E28-F101 HydrophobicContact CB-CD1 4.09Å; E28-F101 HydrophobicContact CB-CE1 3.72Å; E28-F101 HydrophobicContact CB-CZ 4.43Å; E28-F101 HydrophobicContact CG-CD1 4.3Å; E28-F101 HydrophobicContact CG-CE1 3.69Å; E28-F101 HydrophobicContact CG-CZ 3.89Å; A99-F101 HydrophobicContact CB-CE2 4.32Å; F101-A126 HydrophobicContact CE1-CB 4.23Å; F101-A127 HydrophobicContact CD2-CB 4.42Å; F101-A127 HydrophobicContact CE2-CB 4.48Å; F101-R130 HydrophobicContact CE2-CB 3.84Å; F101-R130 HydrophobicContact CE2-CG 4.16Å; F101-R130 HydrophobicContact CZ-CB 3.73Å; F101-R130 HydrophobicContact CZ-CG 4.03Å; F101-C133 HydrophobicContact CD2-CB 4.16Å; F101-C133 HydrophobicContact CE2-CB 3.98Å; F101-V134 PolarHBondContact N-O 3.49Å; F101-L135 HydrophobicContact CB-CD1 3.6Å; F101-F136 PolarHBondContact O-N 3.41Å
102	H	93.4	Very high	87.3	Confident	46 Å²	46	40.9 Å²	40.9	21%	0.213	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	129.1	178.5	174.2	-74.3	0	0	0	111.2	K27 F100 F136	K27-H102 PolarHBondContact O-N 3.44Å; F100-H102 HydrophobicContact CD1-CB 4.27Å; F100-H102 HydrophobicContact CE1-CB 3.63Å; F100-H102 HydrophobicContact CZ-CB 4.24Å; H102-F136 AromaticContact CD2-CD1 3.6Å
103	T	92.2	Very high	86.1	Confident	6 Å²	6	45.1 Å²	45.1	4%	0.037	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	145.5	171.4	-170.8	0	0	0	0	109.8	F108 L123 F136 I137 D138	T103-F108 HydrophobicContact CG2-CE2 3.95Å; T103-F108 HydrophobicContact CG2-CZ 3.71Å; T103-L123 HydrophobicContact CG2-CD2 3.84Å; T103-F136 PolarHBondContact N-O 2.91Å; T103-I137 HydrophobicContact CG2-CB 4.26Å; T103-I137 HydrophobicContact CG2-CG1 3.81Å; T103-I137 HydrophobicContact CG2-CG2 4.3Å; T103-I137 WeakPolarHBondContact O-CA 3.31Å; T103-D138 PolarHBondContact O-N 3.03Å
104	S	90.6	Very high	85.4	Confident	18 Å²	18	46.1 Å²	46.1	13%	0.126	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	145	162.6	171	0	0	0	0	109.4	S106 E107 E139	S104-S106 PolarHBondContact O-N 2.85Å; S104-S106 PolarHBondContact OG-N 2.88Å; S104-S106 PolarHBondContact OG-OG 2.73Å; S104-E107 PolarHBondContact N-OE1 2.9Å; S104-E107 VanDerWaalsContact N-OE1 3.14Å; S104-E107 VanDerWaalsContact O-CB 3.3Å; S104-E107 WeakPolarHBondContact O-CB 3.4Å; S104-E107 PolarHBondContact O-N 2.76Å; S104-E107 VanDerWaalsContact O-N 3.07Å; S104-E139 PolarHBondContact OG-OE2 3.41Å
105	G	84.6	Confident	84.9	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-61	-29.5	175.2	0	0	0	0	0	112.6	E107 F108 D138 S142 V143	G105-E107 PolarHBondContact O-N 3.22Å; G105-F108 WeakPolarHBondContact O-CD2 3.45Å; G105-F108 PolarHBondContact O-N 2.91Å; G105-D138 PolarHBondContact N-O 2.79Å; G105-S142 WeakPolarHBondContact CA-OG 3.39Å; G105-S142 PolarHBondContact O-OG 3.07Å; G105-V143 WeakPolarHBondContact O-CG1 3.49Å
106	S	84.8	Confident	84.5	Confident	56 Å²	56	44.2 Å²	44.2	39%	0.392	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-60.7	-23.5	174.6	64.6	0	0	0	0	113	S104 F108 E109 S142	S104-S106 PolarHBondContact O-N 2.85Å; S104-S106 PolarHBondContact OG-N 2.88Å; S104-S106 PolarHBondContact OG-OG 2.73Å; S106-F108 PolarHBondContact O-N 3.29Å; S106-E109 WeakPolarHBondContact O-CB 3.27Å; S106-E109 PolarHBondContact O-N 3.07Å; S106-E109 VanDerWaalsContact O-N 3.14Å; S106-S142 PolarHBondContact N-OG 3.31Å
107	E	85.4	Confident	84.3	Confident	56 Å²	56	43.7 Å²	43.7	26%	0.262	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-69.7	-11.9	176.4	-61.3	-178.7	-140.6	0	0	113.1	S104 G105 R119	S104-E107 PolarHBondContact N-OE1 2.9Å; S104-E107 VanDerWaalsContact N-OE1 3.14Å; S104-E107 VanDerWaalsContact O-CB 3.3Å; S104-E107 WeakPolarHBondContact O-CB 3.4Å; S104-E107 PolarHBondContact O-N 2.76Å; S104-E107 VanDerWaalsContact O-N 3.07Å; G105-E107 PolarHBondContact O-N 3.22Å; E107-R119 PolarHBondContact O-NH1 3.22Å
108	F	83.9	Confident	84.2	Confident	10 Å²	10	45.7 Å²	45.7	4%	0.044	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-96.8	-6.2	174.9	-51	-64	0	0	0	113.2	T103 G105 S106 E110 R119 I120 L123 I137 V143 T159	T103-F108 HydrophobicContact CG2-CE2 3.95Å; T103-F108 HydrophobicContact CG2-CZ 3.71Å; G105-F108 WeakPolarHBondContact O-CD2 3.45Å; G105-F108 PolarHBondContact O-N 2.91Å; S106-F108 PolarHBondContact O-N 3.29Å; F108-E110 PolarHBondContact O-N 2.75Å; F108-R119 HydrophobicContact CD1-CB 3.95Å; F108-R119 HydrophobicContact CE1-CB 4.09Å; F108-I120 HydrophobicContact CD1-CG1 3.82Å; F108-I120 HydrophobicContact CE1-CG1 3.8Å; F108-I120 HydrophobicContact CG-CG1 4.26Å; F108-I120 HydrophobicContact CZ-CG1 4.23Å; F108-L123 HydrophobicContact CE1-CD2 4.24Å; F108-L123 HydrophobicContact CZ-CD2 3.72Å; F108-I137 HydrophobicContact CE2-CG2 4.33Å; F108-V143 HydrophobicContact CB-CG1 3.58Å; F108-V143 HydrophobicContact CD2-CG1 3.66Å; F108-V143 HydrophobicContact CG-CG1 4.06Å; F108-T159 HydrophobicContact CB-CG2 3.78Å
109	E	76.8	Confident	84	Confident	125 Å²	125	47.5 Å²	47.5	58%	0.584	24%	0.241	S	C	*	.			trans	-79.3	94.1	173.9	-65.6	-171.2	175.4	0	0	109.8	S106 S142	S106-E109 WeakPolarHBondContact O-CB 3.27Å; S106-E109 PolarHBondContact O-N 3.07Å; S106-E109 VanDerWaalsContact O-N 3.14Å; E109-S142 VanDerWaalsContact OE1-CB 3.31Å; E109-S142 WeakPolarHBondContact OE1-CB 3.27Å
110	E	71.6	Confident	83.9	Confident	62 Å²	62	47.3 Å²	47.3	29%	0.29	24%	0.239	S	C	.	.			trans	-118.2	145.3	-177.5	-74.7	-73.4	-178.4	0	0	111.5	F108 F112 L115 R119	F108-E110 PolarHBondContact O-N 2.75Å; E110-F112 PolarHBondContact O-N 3.49Å; E110-L115 HydrophobicContact CB-CB 4.17Å; E110-L115 HydrophobicContact CB-CD2 4.19Å; E110-L115 HydrophobicContact CB-CG 4.45Å; E110-L115 HydrophobicContact CG-CB 4.38Å; E110-L115 HydrophobicContact CG-CD2 3.9Å; E110-L115 HydrophobicContact CG-CG 4.15Å; E110-R119 IonicContact OE1-CZ 3.99Å; E110-R119 IonicContact OE1-NH1 2.98Å; E110-R119 PolarHBondContact OE1-NH1 3.21Å; E110-R119 IonicContact OE1-NH2 2.83Å; E110-R119 PolarHBondContact OE1-NH2 3.2Å
111	M	68.3	Low	83.7	Confident	168 Å²	168	51.8 Å²	51.8	83%	0.828	26%	0.256	S	S	*	.	S	Bend	trans	-65.6	-22.4	177.4	-69.4	-171.3	-71.1	0	0	112.8
112	F	71.1	Confident	83.6	Confident	144 Å²	144	54.8 Å²	54.8	63%	0.632	27%	0.272	S	S	*	.	S	Bend	trans	-100.1	130.9	-176.6	-60.7	-72.8	0	0	0	112.1	E110 G114 L115	E110-F112 PolarHBondContact O-N 3.49Å; F112-G114 PolarHBondContact O-N 2.97Å; F112-L115 HydrophobicContact CB-CB 4.47Å; F112-L115 PolarHBondContact O-N 3.46Å
113	V	69.6	Low	83.5	Confident	89 Å²	89	52.7 Å²	52.7	54%	0.539	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	131.6	179.1	-166.7	0	0	0	0	111.2	L115 Y155 Q158	V113-L115 PolarHBondContact O-N 3.32Å; V113-Y155 HydrophobicContact CB-CD1 4.12Å; V113-Y155 HydrophobicContact CB-CE1 4.27Å; V113-Y155 HydrophobicContact CG1-CD1 3.99Å; V113-Y155 HydrophobicContact CG1-CE1 4.33Å; V113-Y155 HydrophobicContact CG2-CD1 3.48Å; V113-Y155 VanDerWaalsContact CG2-CD1 3.48Å; V113-Y155 HydrophobicContact CG2-CE1 3.18Å; V113-Q158 VanDerWaalsContact CG1-OE1 3.29Å
114	G	77.6	Confident	83.4	Confident	21 Å²	21	52.5 Å²	52.5	22%	0.216	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	-7.2	173.6	0	0	0	0	0	115.8	F112 A117 K118	F112-G114 PolarHBondContact O-N 2.97Å; G114-A117 PolarHBondContact O-N 3.2Å; G114-K118 PolarHBondContact O-N 3.27Å
115	L	83.7	Confident	83.5	Confident	47 Å²	47	56.3 Å²	56.3	25%	0.246	28%	0.277	C	S	.	.	H	α-helix	trans	-68.3	-44.8	176	-173.2	59.6	0	0	0	111.4	E110 F112 V113 A117 K118 R119	E110-L115 HydrophobicContact CB-CB 4.17Å; E110-L115 HydrophobicContact CB-CD2 4.19Å; E110-L115 HydrophobicContact CB-CG 4.45Å; E110-L115 HydrophobicContact CG-CB 4.38Å; E110-L115 HydrophobicContact CG-CD2 3.9Å; E110-L115 HydrophobicContact CG-CG 4.15Å; F112-L115 HydrophobicContact CB-CB 4.47Å; F112-L115 PolarHBondContact O-N 3.46Å; V113-L115 PolarHBondContact O-N 3.32Å; L115-A117 VanDerWaalsContact C-N 3.32Å; L115-A117 PolarHBondContact O-N 2.63Å; L115-K118 WeakPolarHBondContact O-CB 3.36Å; L115-K118 PolarHBondContact O-N 2.91Å; L115-K118 VanDerWaalsContact O-N 3.1Å; L115-R119 PolarHBondContact O-N 2.74Å
116	G	85.3	Confident	83.8	Confident	2 Å²	2	57.7 Å²	57.7	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-58.2	-43.1	172.8	0	0	0	0	0	112.3	K118 R119 I120	G116-K118 PolarHBondContact O-N 3.3Å; G116-R119 PolarHBondContact O-N 2.89Å; G116-I120 WeakPolarHBondContact O-CG1 3.26Å; G116-I120 PolarHBondContact O-N 3.14Å
117	A	86.8	Confident	84	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.7	-37.2	174	0	0	0	0	0	112.7	G114 L115 R121 Q158 Q162	G114-A117 PolarHBondContact O-N 3.2Å; L115-A117 VanDerWaalsContact C-N 3.32Å; L115-A117 PolarHBondContact O-N 2.63Å; A117-R121 PolarHBondContact O-N 3.31Å; A117-Q158 HydrophobicContact CB-CG 4.2Å; A117-Q162 HydrophobicContact CB-CB 3.82Å; A117-Q162 HydrophobicContact CB-CG 4.04Å; A117-Q162 WeakPolarHBondContact O-CG 3.43Å
118	K	89.6	Confident	84.2	Confident	92 Å²	92	56.6 Å²	56.6	40%	0.4	27%	0.274	S	S	.	.	H	α-helix	trans	-62.9	-48.3	173.8	-170.5	-166.4	169.8	-165.5	0	111	G114 L115 G116 I120 R121 D122	G114-K118 PolarHBondContact O-N 3.27Å; L115-K118 WeakPolarHBondContact O-CB 3.36Å; L115-K118 PolarHBondContact O-N 2.91Å; L115-K118 VanDerWaalsContact O-N 3.1Å; G116-K118 PolarHBondContact O-N 3.3Å; K118-I120 VanDerWaalsContact C-N 3.28Å; K118-I120 PolarHBondContact O-N 3.49Å; K118-R121 VanDerWaalsContact CA-NH2 3.34Å; K118-R121 WeakPolarHBondContact O-CA 3.44Å; K118-R121 WeakPolarHBondContact O-CB 3.46Å; K118-R121 PolarHBondContact O-N 3.33Å; K118-D122 WeakPolarHBondContact CE-OD2 3.44Å; K118-D122 VanDerWaalsContact O-CG 3.23Å; K118-D122 PolarHBondContact O-N 3.37Å
119	R	88.1	Confident	84.5	Confident	47 Å²	47	63.7 Å²	63.7	18%	0.177	31%	0.307	C	S	.	.	H	α-helix	trans	-58	-39.3	178.3	-72.6	-172.9	178.7	172.6	5.1	113	E107 F108 E110 L115 G116 D122 L123	E107-R119 PolarHBondContact O-NH1 3.22Å; F108-R119 HydrophobicContact CD1-CB 3.95Å; F108-R119 HydrophobicContact CE1-CB 4.09Å; E110-R119 IonicContact OE1-CZ 3.99Å; E110-R119 IonicContact OE1-NH1 2.98Å; E110-R119 PolarHBondContact OE1-NH1 3.21Å; E110-R119 IonicContact OE1-NH2 2.83Å; E110-R119 PolarHBondContact OE1-NH2 3.2Å; L115-R119 PolarHBondContact O-N 2.74Å; G116-R119 PolarHBondContact O-N 2.89Å; R119-D122 PolarHBondContact O-N 2.95Å; R119-L123 WeakPolarHBondContact O-CB 3.31Å; R119-L123 PolarHBondContact O-N 2.83Å
120	I	90.2	Very high	85.1	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-61.2	-45.7	174	-71.6	168.8	0	0	0	110.7	F108 G116 K118 L123 F124 T159 Q162 L163 E166	F108-I120 HydrophobicContact CD1-CG1 3.82Å; F108-I120 HydrophobicContact CE1-CG1 3.8Å; F108-I120 HydrophobicContact CG-CG1 4.26Å; F108-I120 HydrophobicContact CZ-CG1 4.23Å; G116-I120 WeakPolarHBondContact O-CG1 3.26Å; G116-I120 PolarHBondContact O-N 3.14Å; K118-I120 VanDerWaalsContact C-N 3.28Å; K118-I120 PolarHBondContact O-N 3.49Å; I120-L123 PolarHBondContact O-N 3.48Å; I120-F124 HydrophobicContact CG2-CD2 3.98Å; I120-F124 HydrophobicContact CG2-CE2 4.11Å; I120-F124 VanDerWaalsContact O-CD2 3.3Å; I120-F124 WeakPolarHBondContact O-CD2 3.12Å; I120-F124 PolarHBondContact O-N 3.42Å; I120-T159 HydrophobicContact CD1-CG2 3.38Å; I120-T159 VanDerWaalsContact CD1-O 3.24Å; I120-T159 WeakPolarHBondContact CD1-O 3.42Å; I120-Q162 HydrophobicContact CB-CG 4.13Å; I120-Q162 HydrophobicContact CG2-CB 4.49Å; I120-Q162 HydrophobicContact CG2-CG 3.88Å; I120-L163 HydrophobicContact CD1-CB 4.07Å; I120-L163 HydrophobicContact CG2-CD1 4.46Å; I120-E166 HydrophobicContact CG2-CG 3.77Å
121	R	90.3	Very high	85.8	Confident	95 Å²	95	62.4 Å²	62.4	36%	0.358	30%	0.303	S	S	.	.	H	α-helix	trans	-60.4	-49.2	176.8	-70.9	-170.7	-63.3	-88.3	-3.4	111.7	A117 K118 L123 F124 E125 Q162 E166	A117-R121 PolarHBondContact O-N 3.31Å; K118-R121 VanDerWaalsContact CA-NH2 3.34Å; K118-R121 WeakPolarHBondContact O-CA 3.44Å; K118-R121 WeakPolarHBondContact O-CB 3.46Å; K118-R121 PolarHBondContact O-N 3.33Å; R121-L123 VanDerWaalsContact C-N 3.28Å; R121-L123 PolarHBondContact O-N 2.95Å; R121-F124 PolarHBondContact O-N 2.84Å; R121-E125 WeakPolarHBondContact O-CB 3.44Å; R121-E125 PolarHBondContact O-N 2.96Å; R121-Q162 HydrophobicContact CG-CG 4Å; R121-Q162 VanDerWaalsContact CG-NE2 3.29Å; R121-E166 WeakPolarHBondContact CG-OE1 3.45Å
122	D	91.3	Very high	86.8	Confident	66 Å²	66	57.4 Å²	57.4	35%	0.353	28%	0.283	S	S	.	.	H	α-helix	trans	-61.4	-38.6	-178.6	-58.1	-9.1	0	0	0	110.8	K118 R119 E125 A126	K118-D122 WeakPolarHBondContact CE-OD2 3.44Å; K118-D122 VanDerWaalsContact O-CG 3.23Å; K118-D122 PolarHBondContact O-N 3.37Å; R119-D122 PolarHBondContact O-N 2.95Å; D122-E125 PolarHBondContact O-N 2.99Å; D122-A126 WeakPolarHBondContact O-CB 3.29Å; D122-A126 PolarHBondContact O-N 3.21Å
123	L	91.1	Very high	87.8	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-64.7	-46.7	176.3	177.4	66	0	0	0	112.7	V26 T103 F108 R119 I120 R121 E125 A126 A127 L135	V26-L123 HydrophobicContact CB-CD1 4.45Å; V26-L123 HydrophobicContact CG1-CD1 3.66Å; V26-L123 HydrophobicContact CG2-CD1 3.93Å; T103-L123 HydrophobicContact CG2-CD2 3.84Å; F108-L123 HydrophobicContact CE1-CD2 4.24Å; F108-L123 HydrophobicContact CZ-CD2 3.72Å; R119-L123 WeakPolarHBondContact O-CB 3.31Å; R119-L123 PolarHBondContact O-N 2.83Å; I120-L123 PolarHBondContact O-N 3.48Å; R121-L123 VanDerWaalsContact C-N 3.28Å; R121-L123 PolarHBondContact O-N 2.95Å; L123-E125 VanDerWaalsContact C-N 3.34Å; L123-A126 PolarHBondContact O-N 3.21Å; L123-A127 WeakPolarHBondContact O-CB 3.26Å; L123-A127 PolarHBondContact O-N 3.15Å; L123-L135 HydrophobicContact CD1-CD1 3.62Å; L123-L135 HydrophobicContact CD2-CD1 3.93Å; L123-L135 HydrophobicContact CD2-CD2 4.34Å; L123-L135 HydrophobicContact CG-CD1 3.76Å; L123-L135 HydrophobicContact CG-CD2 4.17Å
124	F	91.5	Very high	88.9	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.009	23%	0.227	C	C	.	.	H	α-helix	trans	-69.7	-33.1	178.1	-87.6	-97.7	0	0	0	111.9	I120 R121 A127 R128 L135 L163 E166 M167 F170 V178	I120-F124 HydrophobicContact CG2-CD2 3.98Å; I120-F124 HydrophobicContact CG2-CE2 4.11Å; I120-F124 VanDerWaalsContact O-CD2 3.3Å; I120-F124 WeakPolarHBondContact O-CD2 3.12Å; I120-F124 PolarHBondContact O-N 3.42Å; R121-F124 PolarHBondContact O-N 2.84Å; F124-A127 PolarHBondContact O-N 3.36Å; F124-R128 WeakPolarHBondContact O-CB 3.28Å; F124-R128 VanDerWaalsContact O-CG 3.3Å; F124-R128 WeakPolarHBondContact O-CG 3.23Å; F124-R128 PolarHBondContact O-N 3.45Å; F124-R128 PolarHBondContact O-NE 3.31Å; F124-L135 HydrophobicContact CD1-CD2 4.43Å; F124-L135 HydrophobicContact CD2-CD2 4.2Å; F124-L135 HydrophobicContact CE1-CD2 4.21Å; F124-L135 HydrophobicContact CE2-CD2 3.99Å; F124-L135 HydrophobicContact CG-CD2 4.44Å; F124-L135 HydrophobicContact CZ-CD2 4Å; F124-L163 HydrophobicContact CE2-CD1 3.72Å; F124-L163 HydrophobicContact CZ-CD1 3.96Å; F124-E166 HydrophobicContact CB-CB 4.36Å; F124-E166 HydrophobicContact CB-CG 4.13Å; F124-E166 HydrophobicContact CD1-CB 3.75Å; F124-E166 HydrophobicContact CD1-CG 4.43Å; F124-E166 HydrophobicContact CD2-CB 3.75Å; F124-E166 HydrophobicContact CD2-CG 3.85Å; F124-E166 HydrophobicContact CE1-CB 3.87Å; F124-E166 HydrophobicContact CE2-CB 3.87Å; F124-E166 HydrophobicContact CE2-CG 4.34Å; F124-E166 HydrophobicContact CG-CB 3.68Å; F124-E166 HydrophobicContact CG-CG 3.88Å; F124-E166 HydrophobicContact CZ-CB 3.92Å; F124-M167 HydrophobicContact CE1-SD 4.15Å; F124-M167 HydrophobicContact CZ-CG 4.43Å; F124-M167 HydrophobicContact CZ-SD 3.89Å; F124-F170 HydrophobicContact CD1-CD1 4.28Å; F124-F170 HydrophobicContact CD1-CE1 4.49Å; F124-F170 HydrophobicContact CE1-CD1 4.02Å; F124-F170 AromaticContact CE1-CE1 3.81Å; F124-F170 HydrophobicContact CE1-CE1 3.81Å; F124-V178 HydrophobicContact CE1-CG2 3.98Å; F124-V178 HydrophobicContact CZ-CG2 4.21Å
125	E	91.1	Very high	89.7	Confident	97 Å²	97	45.3 Å²	45.3	45%	0.453	22%	0.217	S	C	.	.	H	α-helix	trans	-63.9	-48.8	173	-170.8	167.9	-162.9	0	0	111.6	R121 D122 L123 A127 R128 E129	R121-E125 WeakPolarHBondContact O-CB 3.44Å; R121-E125 PolarHBondContact O-N 2.96Å; D122-E125 PolarHBondContact O-N 2.99Å; L123-E125 VanDerWaalsContact C-N 3.34Å; E125-A127 VanDerWaalsContact C-N 3.32Å; E125-A127 PolarHBondContact O-N 3.21Å; E125-R128 PolarHBondContact O-N 3.21Å; E125-E129 WeakPolarHBondContact O-CG 3.44Å; E125-E129 PolarHBondContact O-N 3.1Å
126	A	90.7	Very high	90.3	Very high	30 Å²	30	43 Å²	43	25%	0.248	21%	0.205	C	C	.	.	H	α-helix	trans	-59.2	-41.4	175.1	0	0	0	0	0	112.6	F101 D122 L123 E129 R130	F101-A126 HydrophobicContact CE1-CB 4.23Å; D122-A126 WeakPolarHBondContact O-CB 3.29Å; D122-A126 PolarHBondContact O-N 3.21Å; L123-A126 PolarHBondContact O-N 3.21Å; A126-E129 PolarHBondContact O-N 3.17Å; A126-R130 WeakPolarHBondContact O-CB 3.41Å; A126-R130 PolarHBondContact O-N 3.19Å
127	A	90.6	Very high	90.7	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.9	-42.4	176.2	0	0	0	0	0	112.1	F101 L123 F124 E125 R130 A131 C133 V176	F101-A127 HydrophobicContact CD2-CB 4.42Å; F101-A127 HydrophobicContact CE2-CB 4.48Å; L123-A127 WeakPolarHBondContact O-CB 3.26Å; L123-A127 PolarHBondContact O-N 3.15Å; F124-A127 PolarHBondContact O-N 3.36Å; E125-A127 VanDerWaalsContact C-N 3.32Å; E125-A127 PolarHBondContact O-N 3.21Å; A127-R130 CarbonylContact O-C 3.55Å; A127-R130 PolarHBondContact O-N 3.4Å; A127-A131 PolarHBondContact O-N 3.44Å; A127-A131 VanDerWaalsContact O-N 3.14Å; A127-C133 PolarHBondContact O-SG 3.45Å; A127-V176 HydrophobicContact CB-CG1 4.1Å
128	R	88.9	Confident	91.1	Very high	89 Å²	89	44.3 Å²	44.3	34%	0.336	21%	0.211	S	C	.	.	H	α-helix	trans	-64.5	-40.9	177.4	-77	-178.4	-106.4	111.3	-7	112.4	F124 E125 R130 A131 E166 E174 V176	F124-R128 WeakPolarHBondContact O-CB 3.28Å; F124-R128 VanDerWaalsContact O-CG 3.3Å; F124-R128 WeakPolarHBondContact O-CG 3.23Å; F124-R128 PolarHBondContact O-N 3.45Å; F124-R128 PolarHBondContact O-NE 3.31Å; E125-R128 PolarHBondContact O-N 3.21Å; R128-R130 PolarHBondContact O-N 3.48Å; R128-A131 PolarHBondContact O-N 3.32Å; R128-E166 IonicContact CZ-OE2 3.12Å; R128-E166 IonicContact NH2-OE2 3.16Å; R128-E166 PolarHBondContact NH2-OE2 3.47Å; R128-E174 WeakPolarHBondContact CD-OE2 3.4Å; R128-E174 WeakPolarHBondContact CG-OE2 3.3Å; R128-V176 HydrophobicContact CG-CG2 4.43Å
129	E	89.8	Confident	91.2	Very high	159 Å²	159	44 Å²	44	74%	0.743	21%	0.211	S	C	*	.	H	α-helix	trans	-64.6	-28.2	176.8	-71.7	-174.3	167	0	0	113	E125 A126	E125-E129 WeakPolarHBondContact O-CG 3.44Å; E125-E129 PolarHBondContact O-N 3.1Å; A126-E129 PolarHBondContact O-N 3.17Å
130	R	88.9	Confident	91.4	Very high	119 Å²	119	41.9 Å²	41.9	45%	0.449	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	10	-176.5	-154.9	62.6	168.1	135.5	5.9	114.1	E28 A99 F101 A126 A127 R128	E28-R130 IonicContact OE1-CZ 3.9Å; E28-R130 IonicContact OE1-NE 2.93Å; E28-R130 PolarHBondContact OE1-NE 3.25Å; A99-R130 HydrophobicContact CB-CG 3.74Å; F101-R130 HydrophobicContact CE2-CB 3.84Å; F101-R130 HydrophobicContact CE2-CG 4.16Å; F101-R130 HydrophobicContact CZ-CB 3.73Å; F101-R130 HydrophobicContact CZ-CG 4.03Å; A126-R130 WeakPolarHBondContact O-CB 3.41Å; A126-R130 PolarHBondContact O-N 3.19Å; A127-R130 CarbonylContact O-C 3.55Å; A127-R130 PolarHBondContact O-N 3.4Å; R128-R130 PolarHBondContact O-N 3.48Å
131	A	87.1	Confident	91.3	Very high	40 Å²	40	43.1 Å²	43.1	33%	0.331	21%	0.21	S	C	.	.			trans	-60.7	144.7	-179.6	0	0	0	0	0	112.8	A127 R128 E174 V176	A127-A131 PolarHBondContact O-N 3.44Å; A127-A131 VanDerWaalsContact O-N 3.14Å; R128-A131 PolarHBondContact O-N 3.32Å; A131-E174 WeakPolarHBondContact CB-O 3.46Å; A131-V176 HydrophobicContact CB-CG2 4.02Å
132	P	89.2	Confident	91	Very high	63 Å²	63	39.7 Å²	39.7	41%	0.409	20%	0.2	S	C	.	.	S	Bend	cis	-74.6	140	-0.1	31	-35	0	0	0	112.6	L58 V98 G175	L58-P132 HydrophobicContact CD2-CB 4.49Å; V98-P132 WeakPolarHBondContact CB-O 3.42Å; V98-P132 HydrophobicContact CG1-CB 4.16Å; V98-P132 HydrophobicContact CG1-CG 4.03Å; P132-G175 VanDerWaalsContact CA-O 3.24Å; P132-G175 WeakPolarHBondContact CA-O 3.22Å
133	C	91.8	Very high	90.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	163.4	-179	72.4	0	0	0	0	112.7	A99 F101 A127 G175 I177	A99-C133 HydrophobicContact CB-CB 3.95Å; A99-C133 WeakPolarHBondContact O-CA 3.35Å; A99-C133 WeakPolarHBondContact O-CB 3.24Å; F101-C133 HydrophobicContact CD2-CB 4.16Å; F101-C133 HydrophobicContact CE2-CB 3.98Å; A127-C133 PolarHBondContact O-SG 3.45Å; C133-G175 PolarHBondContact N-O 3.09Å; C133-G175 VanDerWaalsContact N-O 3.14Å; C133-I177 PolarHBondContact O-N 3.31Å; C133-I177 VanDerWaalsContact O-N 3.12Å
134	V	93.5	Very high	89.7	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	124.3	170.2	174.2	0	0	0	0	108.9	L58 I92 A93 V98 A99 F100 F101 L179	L58-V134 HydrophobicContact CD1-CG2 3.72Å; I92-V134 HydrophobicContact CG2-CG2 4.23Å; A93-V134 HydrophobicContact CB-CB 4.06Å; A93-V134 HydrophobicContact CB-CG2 4.01Å; V98-V134 HydrophobicContact CG2-CG2 3.9Å; A99-V134 PolarHBondContact O-N 2.69Å; F100-V134 WeakPolarHBondContact CA-O 3.17Å; F100-V134 HydrophobicContact CD2-CB 4.11Å; F100-V134 HydrophobicContact CD2-CG1 3.91Å; F100-V134 HydrophobicContact CE2-CG1 4.09Å; F101-V134 PolarHBondContact N-O 3.49Å; V134-L179 HydrophobicContact CG1-CD1 3.45Å; V134-L179 VanDerWaalsContact CG1-CD1 3.45Å; V134-L179 HydrophobicContact CG1-CG 3.87Å
135	L	94.4	Very high	88.7	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	112.2	172.5	174.7	58.6	0	0	0	109.6	F101 L123 F124 I177 V178 L179	F101-L135 HydrophobicContact CB-CD1 3.6Å; L123-L135 HydrophobicContact CD1-CD1 3.62Å; L123-L135 HydrophobicContact CD2-CD1 3.93Å; L123-L135 HydrophobicContact CD2-CD2 4.34Å; L123-L135 HydrophobicContact CG-CD1 3.76Å; L123-L135 HydrophobicContact CG-CD2 4.17Å; F124-L135 HydrophobicContact CD1-CD2 4.43Å; F124-L135 HydrophobicContact CD2-CD2 4.2Å; F124-L135 HydrophobicContact CE1-CD2 4.21Å; F124-L135 HydrophobicContact CE2-CD2 3.99Å; F124-L135 HydrophobicContact CG-CD2 4.44Å; F124-L135 HydrophobicContact CZ-CD2 4Å; L135-I177 PolarHBondContact N-O 2.67Å; L135-V178 HydrophobicContact CD2-CG2 4.33Å; L135-V178 CarbonylContact O-C 3.56Å; L135-V178 WeakPolarHBondContact O-CA 3.15Å; L135-L179 PolarHBondContact O-N 3.2Å
136	F	95.8	Very high	87.4	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	124.8	179.8	-178.7	-107.5	0	0	0	112.7	L77 T86 A89 F100 F101 H102 T103 D138 L179 A181	L77-F136 HydrophobicContact CD1-CE2 4.38Å; T86-F136 HydrophobicContact CG2-CD1 4.4Å; T86-F136 HydrophobicContact CG2-CE1 3.75Å; T86-F136 HydrophobicContact CG2-CZ 4.45Å; A89-F136 HydrophobicContact CB-CB 4.21Å; A89-F136 HydrophobicContact CB-CD1 4.3Å; A89-F136 HydrophobicContact CB-CD2 3.27Å; A89-F136 HydrophobicContact CB-CE2 3.58Å; A89-F136 HydrophobicContact CB-CG 3.66Å; A89-F136 HydrophobicContact CB-CZ 4.2Å; F100-F136 HydrophobicContact CE2-CB 3.58Å; F100-F136 HydrophobicContact CE2-CG 4.34Å; F100-F136 HydrophobicContact CZ-CB 3.64Å; F100-F136 HydrophobicContact CZ-CD1 4.17Å; F100-F136 HydrophobicContact CZ-CG 4.12Å; F101-F136 PolarHBondContact O-N 3.41Å; H102-F136 AromaticContact CD2-CD1 3.6Å; T103-F136 PolarHBondContact N-O 2.91Å; F136-D138 HydrophobicContact CD1-CB 4.47Å; F136-D138 HydrophobicContact CE1-CB 3.64Å; F136-D138 HydrophobicContact CZ-CB 4.09Å; F136-L179 CarbonylContact C-O 3.56Å; F136-L179 VanDerWaalsContact CA-O 3.27Å; F136-L179 WeakPolarHBondContact CA-O 3.11Å; F136-L179 HydrophobicContact CD2-CB 3.73Å; F136-A181 HydrophobicContact CE2-CB 3.72Å; F136-A181 HydrophobicContact CZ-CB 3.56Å
137	I	94.6	Very high	85.9	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	104.8	175.4	-55.3	173.6	0	0	0	108.8	T103 F108 I140 L163 V178 L179 A180 A181	T103-I137 HydrophobicContact CG2-CB 4.26Å; T103-I137 HydrophobicContact CG2-CG1 3.81Å; T103-I137 HydrophobicContact CG2-CG2 4.3Å; T103-I137 WeakPolarHBondContact O-CA 3.31Å; F108-I137 HydrophobicContact CE2-CG2 4.33Å; I137-I140 HydrophobicContact CG2-CB 4.25Å; I137-I140 HydrophobicContact CG2-CG1 4.41Å; I137-L163 HydrophobicContact CD1-CD1 4.09Å; I137-V178 HydrophobicContact CD1-CG1 4.39Å; I137-L179 PolarHBondContact N-O 3.42Å; I137-A180 HydrophobicContact CB-CB 4.47Å; I137-A180 CarbonylContact O-C 3.53Å; I137-A180 VanDerWaalsContact O-CA 3.22Å; I137-A180 WeakPolarHBondContact O-CA 3.44Å; I137-A181 PolarHBondContact O-N 2.98Å
138	D	93.8	Very high	84.1	Confident	28 Å²	28	53.3 Å²	53.3	15%	0.15	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	155.2	173	-145.2	-20	0	0	0	111.1	T86 T103 G105 F136 I140 A181	T86-D138 PolarHBondContact OG1-OD2 2.86Å; T103-D138 PolarHBondContact O-N 3.03Å; G105-D138 PolarHBondContact N-O 2.79Å; F136-D138 HydrophobicContact CD1-CB 4.47Å; F136-D138 HydrophobicContact CE1-CB 3.64Å; F136-D138 HydrophobicContact CZ-CB 4.09Å; D138-I140 VanDerWaalsContact C-N 3.3Å; D138-I140 PolarHBondContact O-N 2.82Å; D138-A181 WeakPolarHBondContact OD1-CB 3.45Å
139	E	92	Very high	82.1	Confident	86 Å²	86	56.5 Å²	56.5	40%	0.402	28%	0.28	S	S	.	.			trans	48.5	46.2	177.3	-58.3	-178.1	148.6	0	0	113.9	S104 D141 S142 A181	S104-E139 PolarHBondContact OG-OE2 3.41Å; E139-D141 PolarHBondContact O-N 2.93Å; E139-S142 WeakPolarHBondContact O-CB 3.14Å; E139-S142 PolarHBondContact O-N 3.46Å; E139-S142 PolarHBondContact O-OG 2.92Å; E139-A181 WeakPolarHBondContact CA-O 3.44Å; E139-A181 PolarHBondContact N-O 2.85Å
140	I	91.9	Very high	80.1	Confident	1 Å²	1	57 Å²	57	1%	0.005	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-18	-177.4	-170.1	165.8	0	0	0	113.4	L76 I137 D138 S142 V143 G144 L163 A180 A181 L188 F198	L76-I140 HydrophobicContact CD1-CG2 3.94Å; I137-I140 HydrophobicContact CG2-CB 4.25Å; I137-I140 HydrophobicContact CG2-CG1 4.41Å; D138-I140 VanDerWaalsContact C-N 3.3Å; D138-I140 PolarHBondContact O-N 2.82Å; I140-S142 PolarHBondContact O-N 3.04Å; I140-V143 HydrophobicContact CG1-CG2 3.95Å; I140-V143 VanDerWaalsContact O-CG2 3.23Å; I140-V143 WeakPolarHBondContact O-CG2 3.42Å; I140-V143 PolarHBondContact O-N 3.05Å; I140-G144 PolarHBondContact O-N 3.14Å; I140-L163 HydrophobicContact CD1-CD2 4.04Å; I140-L163 HydrophobicContact CG1-CD2 4.43Å; I140-A180 HydrophobicContact CB-CB 4.08Å; I140-A180 HydrophobicContact CD1-CB 3.54Å; I140-A180 HydrophobicContact CG1-CB 4.41Å; I140-A180 HydrophobicContact CG2-CB 3.99Å; I140-A181 PolarHBondContact N-O 3.3Å; I140-L188 HydrophobicContact CG2-CD1 4.3Å; I140-L188 HydrophobicContact CG2-CD2 3.94Å; I140-F198 HydrophobicContact CD1-CD2 4.32Å; I140-F198 HydrophobicContact CD1-CE2 3.36Å; I140-F198 HydrophobicContact CD1-CZ 3.53Å
141	D	88.3	Confident	78.3	Confident	27 Å²	27	58 Å²	58	14%	0.144	30%	0.303	C	S	.	.	H	α-helix	trans	-60.3	-27.3	173.5	43.3	-59.1	0	0	0	113.7	E139 V143 G144 T145 T182 L188	E139-D141 PolarHBondContact O-N 2.93Å; D141-V143 PolarHBondContact O-N 3.48Å; D141-G144 PolarHBondContact O-N 3.3Å; D141-T145 PolarHBondContact O-N 3.27Å; D141-T145 PolarHBondContact O-OG1 3.05Å; D141-T182 VanDerWaalsContact CG-OG1 3.23Å; D141-T182 WeakPolarHBondContact OD1-CB 3.46Å; D141-T182 PolarHBondContact OD1-OG1 3.39Å; D141-L188 HydrophobicContact CB-CD2 4.02Å
142	S	84.1	Confident	76.5	Confident	23 Å²	23	61.8 Å²	61.8	16%	0.161	32%	0.321	C	S	.	.	H	α-helix	trans	-57.2	-46.3	172.4	54.2	0	0	0	0	113.1	G105 S106 E109 E139 I140	G105-S142 WeakPolarHBondContact CA-OG 3.39Å; G105-S142 PolarHBondContact O-OG 3.07Å; S106-S142 PolarHBondContact N-OG 3.31Å; E109-S142 VanDerWaalsContact OE1-CB 3.31Å; E109-S142 WeakPolarHBondContact OE1-CB 3.27Å; E139-S142 WeakPolarHBondContact O-CB 3.14Å; E139-S142 PolarHBondContact O-N 3.46Å; E139-S142 PolarHBondContact O-OG 2.92Å; I140-S142 PolarHBondContact O-N 3.04Å
143	V	81.8	Confident	74.9	Confident	6 Å²	6	60.6 Å²	60.6	4%	0.036	31%	0.313	C	S	.	.	H	α-helix	trans	-87.2	-20.8	175.7	-64.8	0	0	0	0	113.6	G105 F108 I140 D141 T159 L163	G105-V143 WeakPolarHBondContact O-CG1 3.49Å; F108-V143 HydrophobicContact CB-CG1 3.58Å; F108-V143 HydrophobicContact CD2-CG1 3.66Å; F108-V143 HydrophobicContact CG-CG1 4.06Å; I140-V143 HydrophobicContact CG1-CG2 3.95Å; I140-V143 VanDerWaalsContact O-CG2 3.23Å; I140-V143 WeakPolarHBondContact O-CG2 3.42Å; I140-V143 PolarHBondContact O-N 3.05Å; D141-V143 PolarHBondContact O-N 3.48Å; V143-T159 HydrophobicContact CB-CG2 4.33Å; V143-T159 HydrophobicContact CG1-CG2 3.86Å; V143-L163 HydrophobicContact CG2-CD2 4.18Å
144	G	72.8	Confident	73.2	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-104.8	7.7	-168.9	0	0	0	0	0	115.6	I140 D141 L188 D189	I140-G144 PolarHBondContact O-N 3.14Å; D141-G144 PolarHBondContact O-N 3.3Å; G144-L188 CarbonylContact O-C 3.45Å; G144-L188 WeakPolarHBondContact O-CA 3.27Å; G144-D189 PolarHBondContact O-N 3.39Å
145	T	72.5	Confident	71.7	Confident	74 Å²	74	69.6 Å²	69.6	45%	0.454	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-60.9	142	-174.8	-67.2	0	0	0	0	112.7	D141 D187	D141-T145 PolarHBondContact O-N 3.27Å; D141-T145 PolarHBondContact O-OG1 3.05Å; T145-D187 CarbonylContact C-O 3.29Å; T145-D187 VanDerWaalsContact CA-O 3.29Å; T145-D187 WeakPolarHBondContact CA-O 3.45Å
146	R	62.2	Low	70.3	Confident	134 Å²	134	71.9 Å²	71.9	51%	0.506	38%	0.377	S	S	.	.			trans	-50.2	142.8	175.5	-77.6	-179.5	-174.1	165.7	5	112.7	T148 E186 D187	R146-T148 PolarHBondContact O-N 2.71Å; R146-E186 PolarHBondContact NE-O 3.13Å; R146-E186 PolarHBondContact NH2-O 2.65Å; R146-D187 PolarHBondContact N-O 3.22Å
147	R	60.8	Low	69.2	Low	165 Å²	165	74.3 Å²	74.3	62%	0.623	39%	0.39	S	S	*	.			trans	-62.6	90.3	172.2	-54.7	173.3	-163.9	-169.3	-5.1	110.5	D189	R147-D189 IonicContact CZ-OD2 3.88Å; R147-D189 IonicContact NE-OD2 3.56Å; R147-D189 PolarHBondContact NE-OD2 3.24Å; R147-D189 IonicContact NH2-OD2 3.81Å
148	T	51.5	Low	68.6	Low	104 Å²	104	77.9 Å²	77.9	64%	0.638	41%	0.407	S	S	*	.			trans	-94.2	134.1	166.5	41.5	0	0	0	0	109.6	R146	R146-T148 PolarHBondContact O-N 2.71Å
149	D	48.2	Very low	68.2	Low	156 Å²	156	77.1 Å²	77.1	83%	0.834	40%	0.403	S	S	*	.	S	Bend	trans	-56.8	147.1	-173.4	-73.9	-47.3	0	0	0	113
150	Q	47.4	Very low	68	Low	171 Å²	171	73.1 Å²	73.1	80%	0.799	39%	0.385	S	S	*	.	S	Bend	trans	98.3	91.8	164.5	-49.5	-173.8	8.9	0	0	117.1	V152	Q150-V152 PolarHBondContact O-N 3.01Å
151	T	50.5	Low	67.9	Low	140 Å²	140	77.3 Å²	77.3	86%	0.859	41%	0.407	S	S	*	.	S	Bend	trans	66.1	-29.6	148.1	58.8	0	0	0	0	122
152	V	50.2	Low	68	Low	119 Å²	119	77.5 Å²	77.5	72%	0.721	41%	0.407	S	S	*	.	S	Bend	trans	-88.6	-10	-176.6	-179.1	0	0	0	0	113.1	Q150	Q150-V152 PolarHBondContact O-N 3.01Å
153	V	54.6	Low	68.3	Low	38 Å²	38	76.5 Å²	76.5	23%	0.23	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	1.1	-165.9	-163.9	0	0	0	0	114.6	Y155 S156 N157	V153-Y155 PolarHBondContact O-N 3.4Å; V153-Y155 VanDerWaalsContact O-N 3.12Å; V153-S156 WeakPolarHBondContact CG1-OG 3.39Å; V153-S156 PolarHBondContact O-OG 2.99Å; V153-N157 PolarHBondContact O-N 3.45Å; V153-N157 PolarHBondContact O-ND2 3.26Å
154	A	56.4	Low	68.8	Low	65 Å²	65	76.8 Å²	76.8	54%	0.537	40%	0.401	S	S	.	.	H	α-helix	trans	-59.6	-29.8	-177.3	0	0	0	0	0	113.3
155	Y	61.3	Low	69.6	Low	124 Å²	124	80 Å²	80	49%	0.486	42%	0.424	S	S	.	.	H	α-helix	trans	-80.7	-47.3	-176.4	-48.3	-54.2	0	0	0	113.4	V113 V153 N157 Q158 T159	V113-Y155 HydrophobicContact CB-CD1 4.12Å; V113-Y155 HydrophobicContact CB-CE1 4.27Å; V113-Y155 HydrophobicContact CG1-CD1 3.99Å; V113-Y155 HydrophobicContact CG1-CE1 4.33Å; V113-Y155 HydrophobicContact CG2-CD1 3.48Å; V113-Y155 VanDerWaalsContact CG2-CD1 3.48Å; V113-Y155 HydrophobicContact CG2-CE1 3.18Å; V153-Y155 PolarHBondContact O-N 3.4Å; V153-Y155 VanDerWaalsContact O-N 3.12Å; Y155-N157 PolarHBondContact O-N 2.96Å; Y155-Q158 PolarHBondContact O-N 2.81Å; Y155-T159 PolarHBondContact O-N 3.02Å
156	S	65.1	Low	70.5	Confident	48 Å²	48	77.5 Å²	77.5	34%	0.336	41%	0.407	S	S	.	.	H	α-helix	trans	-60	-33.7	176	49.9	0	0	0	0	111.4	V153 Q158 T159 L160	V153-S156 WeakPolarHBondContact CG1-OG 3.39Å; V153-S156 PolarHBondContact O-OG 2.99Å; S156-Q158 VanDerWaalsContact C-N 3.31Å; S156-Q158 PolarHBondContact O-N 2.65Å; S156-T159 PolarHBondContact O-N 2.71Å; S156-L160 WeakPolarHBondContact O-CB 3.12Å; S156-L160 PolarHBondContact O-N 2.89Å
157	N	73.9	Confident	71.9	Confident	50 Å²	50	71.1 Å²	71.1	27%	0.267	38%	0.383	S	S	.	.	H	α-helix	trans	-58.9	-38.2	173.5	-71.8	-31.4	0	0	0	113.3	V153 Y155 N161	V153-N157 PolarHBondContact O-N 3.45Å; V153-N157 PolarHBondContact O-ND2 3.26Å; Y155-N157 PolarHBondContact O-N 2.96Å; N157-N161 VanDerWaalsContact O-CB 3.3Å; N157-N161 WeakPolarHBondContact O-CB 3.41Å; N157-N161 PolarHBondContact O-N 3.08Å; N157-N161 PolarHBondContact O-ND2 2.69Å
158	Q	81.7	Confident	73.2	Confident	77 Å²	77	67.3 Å²	67.3	36%	0.36	38%	0.375	S	S	.	.	H	α-helix	trans	-70.3	-44.1	179.2	-172.7	-177.2	-5	0	0	111.1	V113 A117 Y155 S156 N161 Q162	V113-Q158 VanDerWaalsContact CG1-OE1 3.29Å; A117-Q158 HydrophobicContact CB-CG 4.2Å; Y155-Q158 PolarHBondContact O-N 2.81Å; S156-Q158 VanDerWaalsContact C-N 3.31Å; S156-Q158 PolarHBondContact O-N 2.65Å; Q158-N161 PolarHBondContact O-N 2.85Å; Q158-Q162 WeakPolarHBondContact O-CB 3.28Å; Q158-Q162 PolarHBondContact O-N 3.39Å
159	T	86.2	Confident	74.6	Confident	11 Å²	11	65.2 Å²	65.2	7%	0.067	37%	0.373	C	S	.	.	H	α-helix	trans	-60.2	-47.4	176.6	-59.8	0	0	0	0	110.8	F108 I120 V143 Y155 S156 Q162 L163	F108-T159 HydrophobicContact CB-CG2 3.78Å; I120-T159 HydrophobicContact CD1-CG2 3.38Å; I120-T159 VanDerWaalsContact CD1-O 3.24Å; I120-T159 WeakPolarHBondContact CD1-O 3.42Å; V143-T159 HydrophobicContact CB-CG2 4.33Å; V143-T159 HydrophobicContact CG1-CG2 3.86Å; Y155-T159 PolarHBondContact O-N 3.02Å; S156-T159 PolarHBondContact O-N 2.71Å; T159-Q162 WeakPolarHBondContact O-CB 3.29Å; T159-Q162 PolarHBondContact O-N 2.83Å; T159-L163 PolarHBondContact O-N 3.32Å
160	L	87.2	Confident	76	Confident	3 Å²	3	58 Å²	58	2%	0.016	34%	0.335	C	S	.	.	H	α-helix	trans	-59.2	-50.6	174.9	178.7	59.4	0	0	0	111.8	S156 Q162 L163 L164 D189 L192	S156-L160 WeakPolarHBondContact O-CB 3.12Å; S156-L160 PolarHBondContact O-N 2.89Å; L160-Q162 PolarHBondContact O-N 3.29Å; L160-L163 WeakPolarHBondContact O-CB 3.14Å; L160-L163 PolarHBondContact O-N 3.31Å; L160-L163 VanDerWaalsContact O-N 3.09Å; L160-L164 HydrophobicContact CD1-CG 4.29Å; L160-L164 HydrophobicContact CG-CD1 4.3Å; L160-L164 HydrophobicContact CG-CG 4.44Å; L160-L164 VanDerWaalsContact O-CG 3.3Å; L160-L164 WeakPolarHBondContact O-CG 2.74Å; L160-L164 PolarHBondContact O-N 3.37Å; L160-D189 HydrophobicContact CD2-CB 3.9Å; L160-L192 HydrophobicContact CD1-CD1 3.84Å; L160-L192 HydrophobicContact CD1-CD2 3.94Å; L160-L192 HydrophobicContact CD1-CG 3.89Å
161	N	88.5	Confident	77.2	Confident	88 Å²	88	56 Å²	56	47%	0.471	33%	0.325	S	S	.	.	H	α-helix	trans	-61	-34	179.4	-74.8	-36.5	0	0	0	112.1	N157 Q158 S165	N157-N161 VanDerWaalsContact O-CB 3.3Å; N157-N161 WeakPolarHBondContact O-CB 3.41Å; N157-N161 PolarHBondContact O-N 3.08Å; N157-N161 PolarHBondContact O-ND2 2.69Å; Q158-N161 PolarHBondContact O-N 2.85Å; N161-S165 WeakPolarHBondContact O-CB 3.41Å; N161-S165 PolarHBondContact O-N 3.39Å
162	Q	90.6	Very high	77.9	Confident	31 Å²	31	51 Å²	51	15%	0.145	30%	0.295	C	S	.	.	H	α-helix	trans	-66.5	-45.8	173	-172.6	67.5	56.7	0	0	111.4	A117 I120 R121 Q158 T159 L160 L164 S165 E166	A117-Q162 HydrophobicContact CB-CB 3.82Å; A117-Q162 HydrophobicContact CB-CG 4.04Å; A117-Q162 WeakPolarHBondContact O-CG 3.43Å; I120-Q162 HydrophobicContact CB-CG 4.13Å; I120-Q162 HydrophobicContact CG2-CB 4.49Å; I120-Q162 HydrophobicContact CG2-CG 3.88Å; R121-Q162 HydrophobicContact CG-CG 4Å; R121-Q162 VanDerWaalsContact CG-NE2 3.29Å; Q158-Q162 WeakPolarHBondContact O-CB 3.28Å; Q158-Q162 PolarHBondContact O-N 3.39Å; T159-Q162 WeakPolarHBondContact O-CB 3.29Å; T159-Q162 PolarHBondContact O-N 2.83Å; L160-Q162 PolarHBondContact O-N 3.29Å; Q162-L164 VanDerWaalsContact C-N 3.29Å; Q162-L164 PolarHBondContact O-N 3.21Å; Q162-S165 WeakPolarHBondContact O-CB 3.43Å; Q162-S165 PolarHBondContact O-N 2.92Å; Q162-S165 VanDerWaalsContact O-N 3.1Å; Q162-E166 PolarHBondContact NE2-OE1 3.28Å; Q162-E166 PolarHBondContact O-N 2.97Å
163	L	91.7	Very high	78.6	Confident	3 Å²	3	49.6 Å²	49.6	2%	0.016	29%	0.287	C	S	.	.	H	α-helix	trans	-56.5	-45.9	175.1	-177.9	59.2	0	0	0	111.2	I120 F124 I137 I140 V143 T159 L160 S165 E166 M167 L192	I120-L163 HydrophobicContact CD1-CB 4.07Å; I120-L163 HydrophobicContact CG2-CD1 4.46Å; F124-L163 HydrophobicContact CE2-CD1 3.72Å; F124-L163 HydrophobicContact CZ-CD1 3.96Å; I137-L163 HydrophobicContact CD1-CD1 4.09Å; I140-L163 HydrophobicContact CD1-CD2 4.04Å; I140-L163 HydrophobicContact CG1-CD2 4.43Å; V143-L163 HydrophobicContact CG2-CD2 4.18Å; T159-L163 PolarHBondContact O-N 3.32Å; L160-L163 WeakPolarHBondContact O-CB 3.14Å; L160-L163 PolarHBondContact O-N 3.31Å; L160-L163 VanDerWaalsContact O-N 3.09Å; L163-S165 VanDerWaalsContact C-N 3.33Å; L163-S165 PolarHBondContact O-N 3.05Å; L163-E166 PolarHBondContact O-N 2.88Å; L163-M167 HydrophobicContact CD1-CG 4.42Å; L163-M167 VanDerWaalsContact O-CG 3.26Å; L163-M167 WeakPolarHBondContact O-CG 3.32Å; L163-M167 PolarHBondContact O-N 2.87Å; L163-L192 HydrophobicContact CD2-CD2 3.99Å; L163-L192 HydrophobicContact CG-CD2 4.45Å
164	L	90.8	Very high	79.4	Confident	12 Å²	12	50.9 Å²	50.9	6%	0.063	29%	0.291	C	S	.	.	H	α-helix	trans	-60.5	-42.4	176	-63.4	-179.4	0	0	0	111.8	L160 Q162 M167 D168 A191 L192	L160-L164 HydrophobicContact CD1-CG 4.29Å; L160-L164 HydrophobicContact CG-CD1 4.3Å; L160-L164 HydrophobicContact CG-CG 4.44Å; L160-L164 VanDerWaalsContact O-CG 3.3Å; L160-L164 WeakPolarHBondContact O-CG 2.74Å; L160-L164 PolarHBondContact O-N 3.37Å; Q162-L164 VanDerWaalsContact C-N 3.29Å; Q162-L164 PolarHBondContact O-N 3.21Å; L164-M167 PolarHBondContact O-N 3.17Å; L164-D168 WeakPolarHBondContact O-CB 3.35Å; L164-D168 PolarHBondContact O-N 3.43Å; L164-A191 HydrophobicContact CD1-CB 3.93Å; L164-L192 HydrophobicContact CD2-CD2 3.48Å; L164-L192 VanDerWaalsContact CD2-CD2 3.48Å; L164-L192 HydrophobicContact CD2-CG 4.02Å
165	S	91.4	Very high	80.7	Confident	67 Å²	67	48.2 Å²	48.2	47%	0.469	27%	0.269	S	S	.	.	H	α-helix	trans	-64.7	-40.3	177.7	-172.6	0	0	0	0	112.5	N161 Q162 L163 G169	N161-S165 WeakPolarHBondContact O-CB 3.41Å; N161-S165 PolarHBondContact O-N 3.39Å; Q162-S165 WeakPolarHBondContact O-CB 3.43Å; Q162-S165 PolarHBondContact O-N 2.92Å; Q162-S165 VanDerWaalsContact O-N 3.1Å; L163-S165 VanDerWaalsContact C-N 3.33Å; L163-S165 PolarHBondContact O-N 3.05Å; S165-G169 PolarHBondContact O-N 3.46Å
166	E	91.5	Very high	82	Confident	22 Å²	22	42.6 Å²	42.6	10%	0.103	25%	0.248	C	C	.	.	H	α-helix	trans	-66.3	-46	175.4	-68.5	-52.7	135.3	0	0	110.9	I120 R121 F124 R128 Q162 L163 D168 G169 F170	I120-E166 HydrophobicContact CG2-CG 3.77Å; R121-E166 WeakPolarHBondContact CG-OE1 3.45Å; F124-E166 HydrophobicContact CB-CB 4.36Å; F124-E166 HydrophobicContact CB-CG 4.13Å; F124-E166 HydrophobicContact CD1-CB 3.75Å; F124-E166 HydrophobicContact CD1-CG 4.43Å; F124-E166 HydrophobicContact CD2-CB 3.75Å; F124-E166 HydrophobicContact CD2-CG 3.85Å; F124-E166 HydrophobicContact CE1-CB 3.87Å; F124-E166 HydrophobicContact CE2-CB 3.87Å; F124-E166 HydrophobicContact CE2-CG 4.34Å; F124-E166 HydrophobicContact CG-CB 3.68Å; F124-E166 HydrophobicContact CG-CG 3.88Å; F124-E166 HydrophobicContact CZ-CB 3.92Å; R128-E166 IonicContact CZ-OE2 3.12Å; R128-E166 IonicContact NH2-OE2 3.16Å; R128-E166 PolarHBondContact NH2-OE2 3.47Å; Q162-E166 PolarHBondContact NE2-OE1 3.28Å; Q162-E166 PolarHBondContact O-N 2.97Å; L163-E166 PolarHBondContact O-N 2.88Å; E166-D168 VanDerWaalsContact C-N 3.3Å; E166-D168 PolarHBondContact O-N 3.37Å; E166-G169 PolarHBondContact O-N 2.81Å; E166-F170 VanDerWaalsContact O-CD1 3.25Å; E166-F170 WeakPolarHBondContact O-CD1 3.3Å; E166-F170 PolarHBondContact O-N 3.34Å
167	M	90.3	Very high	83.2	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58.7	-40.1	176.9	-70	-62.5	-63.1	0	0	112.9	K73 F124 L163 L164 G169 F170 V178 R197	K73-M167 HydrophobicContact CB-CE 4.31Å; K73-M167 WeakPolarHBondContact CD-O 3.34Å; K73-M167 PolarHBondContact NZ-O 2.95Å; F124-M167 HydrophobicContact CE1-SD 4.15Å; F124-M167 HydrophobicContact CZ-CG 4.43Å; F124-M167 HydrophobicContact CZ-SD 3.89Å; L163-M167 HydrophobicContact CD1-CG 4.42Å; L163-M167 VanDerWaalsContact O-CG 3.26Å; L163-M167 WeakPolarHBondContact O-CG 3.32Å; L163-M167 PolarHBondContact O-N 2.87Å; L164-M167 PolarHBondContact O-N 3.17Å; M167-G169 VanDerWaalsContact C-N 3.32Å; M167-F170 HydrophobicContact CE-CE1 4.39Å; M167-F170 HydrophobicContact CE-CZ 4.46Å; M167-F170 HydrophobicContact SD-CE1 3.92Å; M167-F170 HydrophobicContact SD-CZ 4.46Å; M167-V178 HydrophobicContact CE-CB 4.14Å; M167-V178 HydrophobicContact CE-CG1 4.44Å; M167-V178 HydrophobicContact CE-CG2 4.36Å; M167-V178 HydrophobicContact SD-CB 3.94Å; M167-V178 HydrophobicContact SD-CG1 3.89Å; M167-V178 HydrophobicContact SD-CG2 3.78Å; M167-R197 HydrophobicContact CB-CG 4.13Å; M167-R197 WeakPolarHBondContact CE-O 3.5Å
168	D	88.1	Confident	84.2	Confident	85 Å²	85	38.1 Å²	38.1	46%	0.455	22%	0.22	S	C	.	.	H	α-helix	trans	-71.7	-30.6	176	-67	-14.8	0	0	0	111.2	K73 L164 E166 R197	K73-D168 PolarHBondContact NZ-O 3.11Å; L164-D168 WeakPolarHBondContact O-CB 3.35Å; L164-D168 PolarHBondContact O-N 3.43Å; E166-D168 VanDerWaalsContact C-N 3.3Å; E166-D168 PolarHBondContact O-N 3.37Å; D168-R197 IonicContact OD1-CZ 3.02Å; D168-R197 IonicContact OD1-NE 2.77Å; D168-R197 PolarHBondContact OD1-NE 3.4Å; D168-R197 IonicContact OD1-NH2 2.89Å; D168-R197 PolarHBondContact OD1-NH2 3.26Å; D168-R197 IonicContact OD2-CZ 3.51Å; D168-R197 IonicContact OD2-NE 2.7Å; D168-R197 IonicContact OD2-NH2 2.67Å; D168-R197 PolarHBondContact OD2-NH2 3.02Å
169	G	81.9	Confident	84.9	Confident	59 Å²	59	34.5 Å²	34.5	61%	0.608	20%	0.203	S	C	*	.	H	α-helix	trans	-78.3	-29.9	-168.5	0	0	0	0	0	117.2	S165 E166 M167	S165-G169 PolarHBondContact O-N 3.46Å; E166-G169 PolarHBondContact O-N 2.81Å; M167-G169 VanDerWaalsContact C-N 3.32Å
170	F	76.3	Confident	85.3	Confident	6 Å²	6	34 Å²	34	3%	0.026	20%	0.2	C	C	.	.	S	Bend	trans	-89	139.8	-179	72.1	-94.7	0	0	0	113	K73 F124 E166 M167 E174 V178	K73-F170 HydrophobicContact CB-CE2 4.12Å; K73-F170 HydrophobicContact CB-CZ 3.83Å; K73-F170 HydrophobicContact CD-CD2 4.31Å; K73-F170 HydrophobicContact CD-CE1 4.38Å; K73-F170 HydrophobicContact CD-CE2 3.88Å; K73-F170 HydrophobicContact CD-CZ 3.91Å; K73-F170 VanDerWaalsContact CE-O 3.31Å; K73-F170 WeakPolarHBondContact CE-O 3.33Å; K73-F170 HydrophobicContact CG-CE2 4.17Å; K73-F170 HydrophobicContact CG-CZ 4.28Å; K73-F170 PolarHBondContact NZ-O 3.24Å; F124-F170 HydrophobicContact CD1-CD1 4.28Å; F124-F170 HydrophobicContact CD1-CE1 4.49Å; F124-F170 HydrophobicContact CE1-CD1 4.02Å; F124-F170 AromaticContact CE1-CE1 3.81Å; F124-F170 HydrophobicContact CE1-CE1 3.81Å; E166-F170 VanDerWaalsContact O-CD1 3.25Å; E166-F170 WeakPolarHBondContact O-CD1 3.3Å; E166-F170 PolarHBondContact O-N 3.34Å; M167-F170 HydrophobicContact CE-CE1 4.39Å; M167-F170 HydrophobicContact CE-CZ 4.46Å; M167-F170 HydrophobicContact SD-CE1 3.92Å; M167-F170 HydrophobicContact SD-CZ 4.46Å; F170-E174 WeakPolarHBondContact CA-OE1 3.34Å; F170-E174 VanDerWaalsContact CB-OE2 3.32Å; F170-E174 WeakPolarHBondContact CB-OE2 3.5Å; F170-V178 HydrophobicContact CE1-CG2 4.01Å; F170-V178 HydrophobicContact CZ-CG2 3.85Å
171	E	72.5	Confident	85.7	Confident	127 Å²	127	33.8 Å²	33.8	59%	0.593	20%	0.199	S	C	*	.			trans	-75.5	142.7	173.2	-64.5	-165.5	162.1	0	0	110.7	T173 E174	E171-T173 WeakPolarHBondContact CB-OG1 3.22Å; E171-T173 PolarHBondContact O-N 3.01Å; E171-T173 PolarHBondContact OE2-OG1 3.47Å; E171-E174 HydrophobicContact CB-CG 4.31Å; E171-E174 PolarHBondContact N-OE1 3.31Å; E171-E174 WeakPolarHBondContact O-CB 3.36Å; E171-E174 WeakPolarHBondContact O-CG 3.47Å; E171-E174 PolarHBondContact O-N 2.74Å
172	P	65.6	Low	86	Confident	36 Å²	36	29.7 Å²	29.7	23%	0.234	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-56.1	-21.9	175.7	-24.7	33.6	0	0	0	113.8	Y57 K73 E174	Y57-P172 PolarHBondContact OH-O 3.49Å; K73-P172 HydrophobicContact CG-CG 4.28Å; P172-E174 PolarHBondContact O-N 2.86Å
173	T	65	Low	86.1	Confident	89 Å²	89	31 Å²	31	55%	0.546	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-70.6	-13.7	176.8	40.9	0	0	0	0	113.9	E171 G175	E171-T173 WeakPolarHBondContact CB-OG1 3.22Å; E171-T173 PolarHBondContact O-N 3.01Å; E171-T173 PolarHBondContact OE2-OG1 3.47Å; T173-G175 PolarHBondContact O-N 3.33Å
174	E	72.4	Confident	86	Confident	65 Å²	65	37.5 Å²	37.5	30%	0.304	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-72.2	-8.9	-179.3	-66.8	179.2	-150.6	0	0	113.2	R128 A131 F170 E171 P172 V176	R128-E174 WeakPolarHBondContact CD-OE2 3.4Å; R128-E174 WeakPolarHBondContact CG-OE2 3.3Å; A131-E174 WeakPolarHBondContact CB-O 3.46Å; F170-E174 WeakPolarHBondContact CA-OE1 3.34Å; F170-E174 VanDerWaalsContact CB-OE2 3.32Å; F170-E174 WeakPolarHBondContact CB-OE2 3.5Å; E171-E174 HydrophobicContact CB-CG 4.31Å; E171-E174 PolarHBondContact N-OE1 3.31Å; E171-E174 WeakPolarHBondContact O-CB 3.36Å; E171-E174 WeakPolarHBondContact O-CG 3.47Å; E171-E174 PolarHBondContact O-N 2.74Å; P172-E174 PolarHBondContact O-N 2.86Å; E174-V176 VanDerWaalsContact C-N 3.26Å; E174-V176 PolarHBondContact O-N 2.86Å
175	G	82.3	Confident	85.9	Confident	9 Å²	9	42.3 Å²	42.3	9%	0.093	23%	0.227	C	C	.	.			trans	73.6	13.9	175.1	0	0	0	0	0	114.7	P132 C133 T173	P132-G175 VanDerWaalsContact CA-O 3.24Å; P132-G175 WeakPolarHBondContact CA-O 3.22Å; C133-G175 PolarHBondContact N-O 3.09Å; C133-G175 VanDerWaalsContact N-O 3.14Å; T173-G175 PolarHBondContact O-N 3.33Å
176	V	89.2	Confident	85.8	Confident	7 Å²	7	44.3 Å²	44.3	4%	0.042	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	126	174.7	-177.6	0	0	0	0	109.3	A127 R128 A131 E174	A127-V176 HydrophobicContact CB-CG1 4.1Å; R128-V176 HydrophobicContact CG-CG2 4.43Å; A131-V176 HydrophobicContact CB-CG2 4.02Å; E174-V176 VanDerWaalsContact C-N 3.26Å; E174-V176 PolarHBondContact O-N 2.86Å
177	I	90.7	Very high	85.6	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.021	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	124.2	174.8	-59.5	-172.2	0	0	0	109.3	I54 Y57 L58 L71 C133 L135 L179	I54-I177 HydrophobicContact CG2-CD1 3.45Å; I54-I177 VanDerWaalsContact CG2-CD1 3.45Å; I54-I177 HydrophobicContact CG2-CG2 4.05Å; Y57-I177 HydrophobicContact CD1-CD1 4.05Å; L58-I177 HydrophobicContact CD1-CD1 3.97Å; L58-I177 HydrophobicContact CD2-CD1 3.62Å; L58-I177 HydrophobicContact CD2-CG1 3.88Å; L58-I177 HydrophobicContact CG-CD1 3.59Å; L58-I177 HydrophobicContact CG-CG1 4.37Å; L71-I177 HydrophobicContact CD2-CD1 3.76Å; C133-I177 PolarHBondContact O-N 3.31Å; C133-I177 VanDerWaalsContact O-N 3.12Å; L135-I177 PolarHBondContact N-O 2.67Å; I177-L179 HydrophobicContact CG2-CD2 4.12Å
178	V	94.4	Very high	85.5	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	116.2	-178.9	-174.4	0	0	0	0	109.5	K73 G74 V75 F124 L135 I137 M167 F170 F198	K73-V178 PolarHBondContact O-N 2.98Å; G74-V178 CarbonylContact C-O 3.53Å; G74-V178 WeakPolarHBondContact CA-O 3.32Å; V75-V178 PolarHBondContact N-O 2.83Å; F124-V178 HydrophobicContact CE1-CG2 3.98Å; F124-V178 HydrophobicContact CZ-CG2 4.21Å; L135-V178 HydrophobicContact CD2-CG2 4.33Å; L135-V178 CarbonylContact O-C 3.56Å; L135-V178 WeakPolarHBondContact O-CA 3.15Å; I137-V178 HydrophobicContact CD1-CG1 4.39Å; M167-V178 HydrophobicContact CE-CB 4.14Å; M167-V178 HydrophobicContact CE-CG1 4.44Å; M167-V178 HydrophobicContact CE-CG2 4.36Å; M167-V178 HydrophobicContact SD-CB 3.94Å; M167-V178 HydrophobicContact SD-CG1 3.89Å; M167-V178 HydrophobicContact SD-CG2 3.78Å; F170-V178 HydrophobicContact CE1-CG2 4.01Å; F170-V178 HydrophobicContact CZ-CG2 3.85Å; V178-F198 HydrophobicContact CG1-CE1 3.97Å; V178-F198 HydrophobicContact CG1-CZ 3.97Å
179	L	95.4	Very high	85.6	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	135.6	172.1	-58.5	-178.1	0	0	0	108.3	V75 A89 I92 V134 L135 F136 I137 I177	V75-L179 HydrophobicContact CB-CD2 3.52Å; V75-L179 HydrophobicContact CG1-CD2 4.39Å; V75-L179 HydrophobicContact CG2-CD2 3.61Å; V75-L179 CarbonylContact O-C 3.37Å; V75-L179 WeakPolarHBondContact O-CA 2.99Å; A89-L179 HydrophobicContact CB-CD1 3.82Å; I92-L179 HydrophobicContact CD1-CD1 3.57Å; I92-L179 HydrophobicContact CD1-CD2 4.39Å; V134-L179 HydrophobicContact CG1-CD1 3.45Å; V134-L179 VanDerWaalsContact CG1-CD1 3.45Å; V134-L179 HydrophobicContact CG1-CG 3.87Å; L135-L179 PolarHBondContact O-N 3.2Å; F136-L179 CarbonylContact C-O 3.56Å; F136-L179 VanDerWaalsContact CA-O 3.27Å; F136-L179 WeakPolarHBondContact CA-O 3.11Å; F136-L179 HydrophobicContact CD2-CB 3.73Å; I137-L179 PolarHBondContact N-O 3.42Å; I177-L179 HydrophobicContact CG2-CD2 4.12Å
180	A	95.8	Very high	86	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	146.6	172.2	0	0	0	0	0	110.8	V75 L76 L77 I137 I140 F198	V75-A180 PolarHBondContact O-N 2.81Å; L76-A180 CarbonylContact C-O 3.53Å; L76-A180 WeakPolarHBondContact CA-O 3.02Å; L76-A180 HydrophobicContact CD1-CB 3.95Å; L77-A180 PolarHBondContact N-O 3.2Å; I137-A180 HydrophobicContact CB-CB 4.47Å; I137-A180 CarbonylContact O-C 3.53Å; I137-A180 VanDerWaalsContact O-CA 3.22Å; I137-A180 WeakPolarHBondContact O-CA 3.44Å; I140-A180 HydrophobicContact CB-CB 4.08Å; I140-A180 HydrophobicContact CD1-CB 3.54Å; I140-A180 HydrophobicContact CG1-CB 4.41Å; I140-A180 HydrophobicContact CG2-CB 3.99Å; A180-F198 HydrophobicContact CB-CD1 4.15Å; A180-F198 HydrophobicContact CB-CE1 3.36Å; A180-F198 HydrophobicContact CB-CE2 4.3Å; A180-F198 HydrophobicContact CB-CZ 3.45Å; A180-F198 VanDerWaalsContact CB-CZ 3.45Å
181	A	95.8	Very high	86.7	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	141.7	176.2	0	0	0	0	0	111.5	L77 K85 F136 I137 D138 E139 I140	L77-A181 HydrophobicContact CB-CB 4.42Å; L77-A181 VanDerWaalsContact O-CA 3.32Å; L77-A181 WeakPolarHBondContact O-CA 3.34Å; K85-A181 HydrophobicContact CB-CB 3.93Å; K85-A181 HydrophobicContact CD-CB 3.88Å; K85-A181 HydrophobicContact CG-CB 4.5Å; F136-A181 HydrophobicContact CE2-CB 3.72Å; F136-A181 HydrophobicContact CZ-CB 3.56Å; I137-A181 PolarHBondContact O-N 2.98Å; D138-A181 WeakPolarHBondContact OD1-CB 3.45Å; E139-A181 WeakPolarHBondContact CA-O 3.44Å; E139-A181 PolarHBondContact N-O 2.85Å; I140-A181 PolarHBondContact N-O 3.3Å
182	T	94.5	Very high	87.6	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	150.9	171	-173.8	0	0	0	0	111.4	L76 L77 V78 G79 D141 R184 L188	L76-T182 HydrophobicContact CD1-CG2 4.14Å; L77-T182 PolarHBondContact O-N 3.18Å; V78-T182 HydrophobicContact CG2-CG2 4.04Å; G79-T182 PolarHBondContact N-O 3.04Å; D141-T182 VanDerWaalsContact CG-OG1 3.23Å; D141-T182 WeakPolarHBondContact OD1-CB 3.46Å; D141-T182 PolarHBondContact OD1-OG1 3.39Å; T182-R184 PolarHBondContact OG1-N 3.45Å; T182-L188 HydrophobicContact CG2-CD1 3.73Å
183	N	92.6	Very high	88.8	Confident	59 Å²	59	37.6 Å²	37.6	32%	0.316	19%	0.187	S	C	.	.	S	Bend	trans	-91.5	-12.8	168.5	-58.1	-51.7	0	0	0	112.4	G79 K85	G79-N183 WeakPolarHBondContact O-CA 3.38Å; G79-N183 PolarHBondContact O-OD1 3.3Å; K85-N183 PolarHBondContact NZ-OD1 3.4Å
184	R	89.2	Confident	90.1	Very high	140 Å²	140	40.7 Å²	40.7	53%	0.528	19%	0.189	S	C	.	.			trans	-137.1	82.6	-169.5	-60.1	-172.1	-173	171.7	2.7	111.3	T182 E186 D187	T182-R184 PolarHBondContact OG1-N 3.45Å; R184-E186 PolarHBondContact O-N 3.45Å; R184-D187 HydrophobicContact CB-CB 4.06Å; R184-D187 WeakPolarHBondContact CD-OD2 3.32Å; R184-D187 IonicContact NH1-OD2 3.64Å; R184-D187 PolarHBondContact NH1-OD2 2.88Å; R184-D187 PolarHBondContact O-N 2.75Å
185	R	89.5	Confident	90.8	Very high	113 Å²	113	43.4 Å²	43.4	43%	0.426	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-60.8	-35.9	179.2	179.1	-176.8	-177.8	-160.1	3.2	112	V78 D187 L188 Q201	V78-R185 HydrophobicContact CG1-CB 3.76Å; V78-R185 HydrophobicContact CG2-CB 4.27Å; V78-R185 HydrophobicContact CG2-CG 4.44Å; R185-D187 VanDerWaalsContact C-N 3.25Å; R185-D187 PolarHBondContact O-N 3.11Å; R185-L188 PolarHBondContact O-N 3.12Å; R185-Q201 VanDerWaalsContact CZ-OE1 3.26Å
186	E	89.4	Confident	91	Very high	108 Å²	108	44 Å²	44	51%	0.505	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-63.4	-30.2	179.7	60	-79.4	-174.4	0	0	112.6	R146 R184 L188	R146-E186 PolarHBondContact NE-O 3.13Å; R146-E186 PolarHBondContact NH2-O 2.65Å; R184-E186 PolarHBondContact O-N 3.45Å; E186-L188 VanDerWaalsContact C-N 3.29Å; E186-L188 PolarHBondContact O-N 2.8Å
187	D	87.1	Confident	91.1	Very high	51 Å²	51	45.2 Å²	45.2	27%	0.273	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-78.8	-15.7	-178.7	-71	-13.9	0	0	0	112.3	T145 R146 R184 R185	T145-D187 CarbonylContact C-O 3.29Å; T145-D187 VanDerWaalsContact CA-O 3.29Å; T145-D187 WeakPolarHBondContact CA-O 3.45Å; R146-D187 PolarHBondContact N-O 3.22Å; R184-D187 HydrophobicContact CB-CB 4.06Å; R184-D187 WeakPolarHBondContact CD-OD2 3.32Å; R184-D187 IonicContact NH1-OD2 3.64Å; R184-D187 PolarHBondContact NH1-OD2 2.88Å; R184-D187 PolarHBondContact O-N 2.75Å; R185-D187 VanDerWaalsContact C-N 3.25Å; R185-D187 PolarHBondContact O-N 3.11Å
188	L	88.4	Confident	91.2	Very high	4 Å²	4	45 Å²	45	2%	0.021	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-71.6	143.4	-178.8	-69.2	174.3	0	0	0	113.9	L76 I140 D141 G144 T182 R185 E186 P190 L192	L76-L188 HydrophobicContact CD1-CD1 4.16Å; L76-L188 HydrophobicContact CD2-CD1 3.82Å; I140-L188 HydrophobicContact CG2-CD1 4.3Å; I140-L188 HydrophobicContact CG2-CD2 3.94Å; D141-L188 HydrophobicContact CB-CD2 4.02Å; G144-L188 CarbonylContact O-C 3.45Å; G144-L188 WeakPolarHBondContact O-CA 3.27Å; T182-L188 HydrophobicContact CG2-CD1 3.73Å; R185-L188 PolarHBondContact O-N 3.12Å; E186-L188 VanDerWaalsContact C-N 3.29Å; E186-L188 PolarHBondContact O-N 2.8Å; L188-P190 WeakPolarHBondContact O-CD 3.45Å; L188-L192 HydrophobicContact CD2-CD1 4.15Å
189	D	89.3	Confident	90.9	Very high	10 Å²	10	48.2 Å²	48.2	5%	0.053	24%	0.238	C	C	.	.			trans	-64.1	122.8	171	-170.7	-46.8	0	0	0	108.8	G144 R147 L160 A191 L192	G144-D189 PolarHBondContact O-N 3.39Å; R147-D189 IonicContact CZ-OD2 3.88Å; R147-D189 IonicContact NE-OD2 3.56Å; R147-D189 PolarHBondContact NE-OD2 3.24Å; R147-D189 IonicContact NH2-OD2 3.81Å; L160-D189 HydrophobicContact CD2-CB 3.9Å; D189-A191 PolarHBondContact O-N 3.24Å; D189-A191 WeakPolarHBondContact OD1-CB 3.47Å; D189-A191 PolarHBondContact OD1-N 3.04Å; D189-L192 PolarHBondContact O-N 3.49Å
190	P	90.4	Very high	90.7	Very high	76 Å²	76	50 Å²	50	49%	0.494	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-18.4	179.4	-26.1	34.6	0	0	0	114.7	L188 L192 L193	L188-P190 WeakPolarHBondContact O-CD 3.45Å; P190-L192 VanDerWaalsContact C-N 3.28Å; P190-L192 PolarHBondContact O-N 2.95Å; P190-L193 PolarHBondContact O-N 2.81Å
191	A	90.3	Very high	90.6	Very high	8 Å²	8	52.5 Å²	52.5	7%	0.066	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-33.7	174.1	0	0	0	0	0	112.5	L164 D189 L193 R197	L164-A191 HydrophobicContact CD1-CB 3.93Å; D189-A191 PolarHBondContact O-N 3.24Å; D189-A191 WeakPolarHBondContact OD1-CB 3.47Å; D189-A191 PolarHBondContact OD1-N 3.04Å; A191-L193 PolarHBondContact O-N 3.3Å; A191-R197 WeakPolarHBondContact O-CD 3.19Å; A191-R197 PolarHBondContact O-NH1 3.34Å
192	L	91.4	Very high	90.5	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.01	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-28.1	177.3	-73.5	166.9	0	0	0	112.3	L160 L163 L164 L188 D189 P190 R194 R197 F198	L160-L192 HydrophobicContact CD1-CD1 3.84Å; L160-L192 HydrophobicContact CD1-CD2 3.94Å; L160-L192 HydrophobicContact CD1-CG 3.89Å; L163-L192 HydrophobicContact CD2-CD2 3.99Å; L163-L192 HydrophobicContact CG-CD2 4.45Å; L164-L192 HydrophobicContact CD2-CD2 3.48Å; L164-L192 VanDerWaalsContact CD2-CD2 3.48Å; L164-L192 HydrophobicContact CD2-CG 4.02Å; L188-L192 HydrophobicContact CD2-CD1 4.15Å; D189-L192 PolarHBondContact O-N 3.49Å; P190-L192 VanDerWaalsContact C-N 3.28Å; P190-L192 PolarHBondContact O-N 2.95Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.26Å; L192-R197 VanDerWaalsContact O-CB 3.27Å; L192-R197 WeakPolarHBondContact O-CB 3.38Å; L192-F198 HydrophobicContact CB-CD2 4.16Å; L192-F198 HydrophobicContact CD2-CD2 4.24Å; L192-F198 HydrophobicContact CD2-CE2 4.04Å; L192-F198 WeakPolarHBondContact O-CB 3.01Å; L192-F198 PolarHBondContact O-N 3.04Å
193	L	91.9	Very high	90.5	Very high	44 Å²	44	57.7 Å²	57.7	23%	0.23	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	4.9	-173.9	-51.9	-177.8	0	0	0	113.7	L76 P190 A191	L76-L193 HydrophobicContact CD2-CD2 3.57Å; P190-L193 PolarHBondContact O-N 2.81Å; A191-L193 PolarHBondContact O-N 3.3Å
194	R	91.2	Very high	90.5	Very high	154 Å²	154	55.1 Å²	55.1	58%	0.581	28%	0.277	S	S	*	.	S	Bend	trans	-77	152.1	-179.1	-68.6	-178	179.9	-179.4	-0.3	111.2	L192 G196 R197	L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.26Å; R194-G196 PolarHBondContact O-N 3.5Å; R194-R197 WeakPolarHBondContact O-CB 3.33Å; R194-R197 PolarHBondContact O-N 3.47Å; R194-R197 VanDerWaalsContact O-N 3.14Å
195	P	88.2	Confident	90.6	Very high	121 Å²	121	50.5 Å²	50.5	79%	0.786	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	137.3	174.8	-28.7	36	0	0	0	112.8
196	G	86.6	Confident	90.7	Very high	23 Å²	23	51.2 Å²	51.2	24%	0.237	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.3	-0.5	-175.9	0	0	0	0	0	115.4	K73 R194 D199	K73-G196 WeakPolarHBondContact CD-O 3.25Å; R194-G196 PolarHBondContact O-N 3.5Å; G196-D199 PolarHBondContact N-OD2 2.95Å
197	R	91.5	Very high	90.8	Very high	31 Å²	31	46.6 Å²	46.6	12%	0.117	26%	0.256	C	S	.	.	S	Bend	trans	-116.8	-110.7	174.7	-61.9	169.4	179	-177.3	-5.7	109.2	G74 M167 D168 A191 L192 R194 D199	G74-R197 WeakPolarHBondContact CA-O 3.33Å; G74-R197 PolarHBondContact N-O 3.08Å; M167-R197 HydrophobicContact CB-CG 4.13Å; M167-R197 WeakPolarHBondContact CE-O 3.5Å; D168-R197 IonicContact OD1-CZ 3.02Å; D168-R197 IonicContact OD1-NE 2.77Å; D168-R197 PolarHBondContact OD1-NE 3.4Å; D168-R197 IonicContact OD1-NH2 2.89Å; D168-R197 PolarHBondContact OD1-NH2 3.26Å; D168-R197 IonicContact OD2-CZ 3.51Å; D168-R197 IonicContact OD2-NE 2.7Å; D168-R197 IonicContact OD2-NH2 2.67Å; D168-R197 PolarHBondContact OD2-NH2 3.02Å; A191-R197 WeakPolarHBondContact O-CD 3.19Å; A191-R197 PolarHBondContact O-NH1 3.34Å; L192-R197 VanDerWaalsContact O-CB 3.27Å; L192-R197 WeakPolarHBondContact O-CB 3.38Å; R194-R197 WeakPolarHBondContact O-CB 3.33Å; R194-R197 PolarHBondContact O-N 3.47Å; R194-R197 VanDerWaalsContact O-N 3.14Å; R197-D199 VanDerWaalsContact C-N 3.32Å; R197-D199 PolarHBondContact O-N 3.11Å
198	F	92.8	Very high	91	Very high	1 Å²	1	47.3 Å²	47.3	0%	0.004	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	72.5	167.5	-65	-71.7	0	0	0	110.2	G74 L76 I140 V178 A180 L192	G74-F198 WeakPolarHBondContact O-CA 3.3Å; L76-F198 HydrophobicContact CB-CB 4.01Å; L76-F198 HydrophobicContact CB-CD1 4.23Å; L76-F198 HydrophobicContact CB-CG 4.28Å; I140-F198 HydrophobicContact CD1-CD2 4.32Å; I140-F198 HydrophobicContact CD1-CE2 3.36Å; I140-F198 HydrophobicContact CD1-CZ 3.53Å; V178-F198 HydrophobicContact CG1-CE1 3.97Å; V178-F198 HydrophobicContact CG1-CZ 3.97Å; A180-F198 HydrophobicContact CB-CD1 4.15Å; A180-F198 HydrophobicContact CB-CE1 3.36Å; A180-F198 HydrophobicContact CB-CE2 4.3Å; A180-F198 HydrophobicContact CB-CZ 3.45Å; A180-F198 VanDerWaalsContact CB-CZ 3.45Å; L192-F198 HydrophobicContact CB-CD2 4.16Å; L192-F198 HydrophobicContact CD2-CD2 4.24Å; L192-F198 HydrophobicContact CD2-CE2 4.04Å; L192-F198 WeakPolarHBondContact O-CB 3.01Å; L192-F198 PolarHBondContact O-N 3.04Å
199	D	87.2	Confident	91.1	Very high	66 Å²	66	48.8 Å²	48.8	35%	0.353	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-23	-175.3	53.9	-13.4	0	0	0	113.5	P72 K73 G74 G196 R197	P72-D199 WeakPolarHBondContact CA-OD1 3.39Å; P72-D199 WeakPolarHBondContact CB-OD1 3.18Å; K73-D199 PolarHBondContact N-OD1 3.09Å; G74-D199 PolarHBondContact O-N 3.26Å; G196-D199 PolarHBondContact N-OD2 2.95Å; R197-D199 VanDerWaalsContact C-N 3.32Å; R197-D199 PolarHBondContact O-N 3.11Å
200	L	91.5	Very high	91.3	Very high	37 Å²	37	54 Å²	54	19%	0.194	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	129.4	164.2	-174.8	62.7	0	0	0	110.4	I54 P72 G74 V75 L76 L202	I54-L200 HydrophobicContact CD1-CD2 3.97Å; P72-L200 HydrophobicContact CB-CB 3.91Å; P72-L200 HydrophobicContact CG-CB 4Å; P72-L200 HydrophobicContact CG-CD2 4.46Å; G74-L200 PolarHBondContact O-N 2.96Å; V75-L200 CarbonylContact C-O 3.53Å; V75-L200 WeakPolarHBondContact CA-O 3.34Å; V75-L200 HydrophobicContact CG1-CB 4.27Å; V75-L200 HydrophobicContact CG1-CD2 3.95Å; V75-L200 HydrophobicContact CG1-CG 4.05Å; V75-L200 HydrophobicContact CG2-CB 4.31Å; V75-L200 HydrophobicContact CG2-CD2 4.03Å; L76-L200 PolarHBondContact N-O 3.28Å; L200-L202 HydrophobicContact CD1-CD2 4.33Å; L200-L202 HydrophobicContact CG-CD2 4.35Å; L200-L202 HydrophobicContact CG-CG 4.44Å
201	Q	93.3	Very high	91.5	Very high	53 Å²	53	50.4 Å²	50.4	25%	0.248	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	119.4	179.7	-63.7	175.7	34.9	0	0	109.1	L76 R185	L76-Q201 HydrophobicContact CB-CG 4.24Å; L76-Q201 HydrophobicContact CD2-CG 4.46Å; L76-Q201 WeakPolarHBondContact O-CA 3.24Å; R185-Q201 VanDerWaalsContact CZ-OE1 3.26Å
202	L	94.2	Very high	91.7	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.026	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	118.1	178.2	-59.1	-179.4	0	0	0	108.9	E50 L51 V75 L76 L77 V78 L200	E50-L202 HydrophobicContact CB-CD2 3.98Å; E50-L202 HydrophobicContact CG-CD2 4.31Å; E50-L202 WeakPolarHBondContact OE2-CD2 3.16Å; L51-L202 HydrophobicContact CD1-CD1 3.72Å; L51-L202 HydrophobicContact CD2-CD1 3.47Å; L51-L202 VanDerWaalsContact CD2-CD1 3.47Å; L51-L202 HydrophobicContact CG-CD1 3.49Å; L51-L202 VanDerWaalsContact CG-CD1 3.49Å; V75-L202 HydrophobicContact CG1-CD1 3.99Å; V75-L202 HydrophobicContact CG1-CG 4.1Å; L76-L202 PolarHBondContact O-N 2.92Å; L77-L202 HydrophobicContact CD2-CB 4.05Å; L77-L202 HydrophobicContact CD2-CD1 3.95Å; L77-L202 HydrophobicContact CD2-CG 4.44Å; V78-L202 PolarHBondContact N-O 3.48Å; L200-L202 HydrophobicContact CD1-CD2 4.33Å; L200-L202 HydrophobicContact CG-CD2 4.35Å; L200-L202 HydrophobicContact CG-CG 4.44Å
203	V	93.6	Very high	92	Very high	105 Å²	105	52.6 Å²	52.6	64%	0.636	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95	113.8	175.5	-176.5	0	0	0	0	108.4	V78	V78-V203 HydrophobicContact CB-CG2 4.44Å; V78-V203 CarbonylContact O-C 3.59Å; V78-V203 WeakPolarHBondContact O-CA 3.47Å
204	L	93.5	Very high	92.2	Very high	6 Å²	6	52.7 Å²	52.7	3%	0.031	28%	0.277	C	S	.	.			trans	-99.5	124.9	179.7	-55.3	171.4	0	0	0	109.2	I44 A47 L77 V78 G79 P80 I83 K85 L88	I44-L204 HydrophobicContact CB-CD2 4.32Å; I44-L204 HydrophobicContact CD1-CD2 4.39Å; I44-L204 HydrophobicContact CG2-CD2 4.23Å; A47-L204 HydrophobicContact CB-CD2 3.22Å; L77-L204 HydrophobicContact CB-CD1 4.33Å; V78-L204 PolarHBondContact O-N 2.93Å; G79-L204 VanDerWaalsContact CA-O 3.29Å; G79-L204 WeakPolarHBondContact CA-O 3.43Å; P80-L204 WeakPolarHBondContact CD-O 3.49Å; I83-L204 HydrophobicContact CD1-CB 3.37Å; I83-L204 HydrophobicContact CD1-CD1 3.37Å; I83-L204 HydrophobicContact CD1-CG 3.99Å; I83-L204 HydrophobicContact CG1-CB 4.3Å; K85-L204 HydrophobicContact CG-CD1 3.99Å; L88-L204 HydrophobicContact CD2-CD1 4.15Å
205	G	90.7	Very high	92.5	Very high	43 Å²	43	45.9 Å²	45.9	44%	0.443	25%	0.252	S	S	.	.			trans	-96.6	-177.5	176.7	0	0	0	0	0	113
206	Y	91.6	Very high	92.9	Very high	128 Å²	128	40.1 Å²	40.1	50%	0.502	21%	0.214	S	C	.	.			trans	-66.6	146.2	164.7	-68.2	-79.3	0	0	0	110.2	P80 I83 G240	P80-Y206 HydrophobicContact CB-CE1 4.4Å; P80-Y206 HydrophobicContact CB-CE2 4.2Å; P80-Y206 HydrophobicContact CG-CD2 4.18Å; P80-Y206 HydrophobicContact CG-CE1 4.12Å; P80-Y206 HydrophobicContact CG-CE2 3.74Å; I83-Y206 HydrophobicContact CG2-CD1 4.48Å; Y206-G240 WeakPolarHBondContact CD1-O 3.47Å; Y206-G240 WeakPolarHBondContact CE1-O 3.15Å
207	P	92.6	Very high	93.4	Very high	10 Å²	10	42.7 Å²	42.7	7%	0.065	22%	0.223	C	C	.	.			trans	-63.6	139.9	179.1	26.8	-35.7	0	0	0	111.7	R212 I215 F241	P207-R212 HydrophobicContact CB-CG 3.9Å; P207-R212 HydrophobicContact CG-CG 3.67Å; P207-R212 PolarHBondContact O-NH1 3.34Å; P207-I215 HydrophobicContact CB-CD1 3.84Å; P207-I215 HydrophobicContact CG-CD1 3.87Å; P207-F241 WeakPolarHBondContact CD-O 3.13Å; P207-F241 WeakPolarHBondContact CG-O 3.37Å
208	D	90.7	Very high	93.6	Very high	66 Å²	66	42.5 Å²	42.5	35%	0.353	22%	0.224	S	C	.	.			trans	-72.3	178	170.4	77.5	-19.7	0	0	0	111.3	K210 G211 R212	D208-K210 VanDerWaalsContact C-N 3.29Å; D208-K210 PolarHBondContact O-N 3.43Å; D208-K210 PolarHBondContact OD1-N 2.97Å; D208-G211 PolarHBondContact O-N 3.25Å; D208-G211 WeakPolarHBondContact OD1-CA 3.23Å; D208-G211 PolarHBondContact OD1-N 3.05Å; D208-R212 WeakPolarHBondContact O-CG 3.36Å; D208-R212 PolarHBondContact O-N 3.4Å; D208-R212 PolarHBondContact O-NH1 3.33Å
209	L	90.8	Very high	93.8	Very high	36 Å²	36	43.7 Å²	43.7	19%	0.188	23%	0.228	C	C	.	.	H	α-helix	trans	-52.4	-46.5	-179.4	179.2	62.9	0	0	0	112.6	R212 M213 A235 K236 D338	L209-R212 PolarHBondContact O-N 3.34Å; L209-M213 HydrophobicContact CG-SD 4.35Å; L209-M213 VanDerWaalsContact O-CG 3.3Å; L209-M213 WeakPolarHBondContact O-CG 3.47Å; L209-M213 PolarHBondContact O-N 3.32Å; L209-A235 HydrophobicContact CD1-CB 3.75Å; L209-K236 HydrophobicContact CD1-CG 3.78Å; L209-D338 PolarHBondContact N-OD2 3.48Å
210	K	93.3	Very high	94.2	Very high	118 Å²	118	41.1 Å²	41.1	51%	0.513	21%	0.214	S	C	.	.	H	α-helix	trans	-64.9	-46.9	179.9	-175.5	-167.2	168.2	-148	0	110.7	D45 D208 R212 M213 D214	D45-K210 IonicContact OD2-NZ 3.64Å; D208-K210 VanDerWaalsContact C-N 3.29Å; D208-K210 PolarHBondContact O-N 3.43Å; D208-K210 PolarHBondContact OD1-N 2.97Å; K210-R212 VanDerWaalsContact C-N 3.31Å; K210-R212 PolarHBondContact O-N 2.92Å; K210-M213 WeakPolarHBondContact O-CB 3.39Å; K210-M213 PolarHBondContact O-N 3.41Å; K210-M213 VanDerWaalsContact O-N 3.12Å; K210-D214 PolarHBondContact O-N 3.49Å
211	G	94.5	Very high	94.4	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-57.4	-42.7	176	0	0	0	0	0	112.4	D208 D214 I215	D208-G211 PolarHBondContact O-N 3.25Å; D208-G211 WeakPolarHBondContact OD1-CA 3.23Å; D208-G211 PolarHBondContact OD1-N 3.05Å; G211-D214 PolarHBondContact O-N 2.96Å; G211-I215 WeakPolarHBondContact O-CB 3.4Å; G211-I215 WeakPolarHBondContact O-CD1 3.4Å; G211-I215 WeakPolarHBondContact O-CG1 3.33Å; G211-I215 PolarHBondContact O-N 3.16Å
212	R	95.2	Very high	94.4	Very high	3 Å²	3	47.9 Å²	47.9	1%	0.011	25%	0.249	C	C	.	.	H	α-helix	trans	-64	-41.9	175.1	-67.6	-169.3	-54.5	-87	3.5	111.8	P207 D208 L209 K210 I215 F216 A235 T238 I246 D338	P207-R212 HydrophobicContact CB-CG 3.9Å; P207-R212 HydrophobicContact CG-CG 3.67Å; P207-R212 PolarHBondContact O-NH1 3.34Å; D208-R212 WeakPolarHBondContact O-CG 3.36Å; D208-R212 PolarHBondContact O-N 3.4Å; D208-R212 PolarHBondContact O-NH1 3.33Å; L209-R212 PolarHBondContact O-N 3.34Å; K210-R212 VanDerWaalsContact C-N 3.31Å; K210-R212 PolarHBondContact O-N 2.92Å; R212-I215 PolarHBondContact O-N 3.32Å; R212-F216 VanDerWaalsContact O-CD2 3.26Å; R212-F216 WeakPolarHBondContact O-CD2 3.29Å; R212-F216 PolarHBondContact O-N 3.26Å; R212-A235 HydrophobicContact CB-CB 3.94Å; R212-A235 PolarHBondContact NE-O 2.9Å; R212-A235 PolarHBondContact NH2-O 3.31Å; R212-A235 VanDerWaalsContact NH2-O 3.11Å; R212-T238 WeakPolarHBondContact CD-O 3.47Å; R212-T238 PolarHBondContact NE-O 2.92Å; R212-I246 HydrophobicContact CB-CD1 3.95Å; R212-I246 HydrophobicContact CG-CD1 3.8Å; R212-D338 IonicContact CZ-OD1 2.77Å; R212-D338 IonicContact CZ-OD2 3.73Å; R212-D338 IonicContact NH1-OD1 3.81Å; R212-D338 IonicContact NH1-OD2 3.49Å; R212-D338 PolarHBondContact NH1-OD2 3.44Å; R212-D338 IonicContact NH2-OD1 3.68Å; R212-D338 PolarHBondContact NH2-OD1 3.29Å; R212-D338 IonicContact NH2-OD2 3.88Å; R212-D338 PolarHBondContact NH2-OD2 3.07Å
213	M	96.2	Very high	94.5	Very high	54 Å²	54	50 Å²	50	27%	0.266	26%	0.26	S	S	.	.	H	α-helix	trans	-60.1	-45.3	174.3	-68.7	173.4	67	0	0	111.5	L209 K210 I215 F216 N217 V231 E232 A235	L209-M213 HydrophobicContact CG-SD 4.35Å; L209-M213 VanDerWaalsContact O-CG 3.3Å; L209-M213 WeakPolarHBondContact O-CG 3.47Å; L209-M213 PolarHBondContact O-N 3.32Å; K210-M213 WeakPolarHBondContact O-CB 3.39Å; K210-M213 PolarHBondContact O-N 3.41Å; K210-M213 VanDerWaalsContact O-N 3.12Å; M213-I215 PolarHBondContact O-N 2.83Å; M213-F216 PolarHBondContact O-N 3.49Å; M213-N217 WeakPolarHBondContact O-CB 3.38Å; M213-N217 VanDerWaalsContact O-CG 3.3Å; M213-N217 PolarHBondContact O-N 2.96Å; M213-N217 PolarHBondContact O-ND2 3.25Å; M213-N217 VanDerWaalsContact O-ND2 3.08Å; M213-V231 HydrophobicContact CB-CG1 4.16Å; M213-V231 HydrophobicContact CG-CG1 4.32Å; M213-E232 HydrophobicContact CE-CB 4.18Å; M213-E232 HydrophobicContact CE-CG 4.47Å; M213-E232 HydrophobicContact SD-CG 4.34Å; M213-A235 HydrophobicContact CB-CB 4.41Å; M213-A235 HydrophobicContact CG-CB 3.45Å; M213-A235 VanDerWaalsContact CG-CB 3.45Å
214	D	96.7	Very high	94.5	Very high	46 Å²	46	52.9 Å²	52.9	25%	0.246	26%	0.264	C	S	.	.	H	α-helix	trans	-64.4	-39.7	179	-69.4	-22.2	0	0	0	112.1	K42 K210 G211 N217 L218	K42-D214 HydrophobicContact CB-CB 3.89Å; K42-D214 HydrophobicContact CD-CB 4.24Å; K42-D214 HydrophobicContact CG-CB 4.08Å; K210-D214 PolarHBondContact O-N 3.49Å; G211-D214 PolarHBondContact O-N 2.96Å; D214-N217 PolarHBondContact O-N 3.14Å; D214-L218 WeakPolarHBondContact O-CB 3.47Å; D214-L218 PolarHBondContact O-N 3.37Å
215	I	97.3	Very high	94.5	Very high	10 Å²	10	55.2 Å²	55.2	5%	0.051	28%	0.278	C	S	.	.	H	α-helix	trans	-65.7	-44.3	175.2	-65.7	162.7	0	0	0	110.8	K42 P207 G211 R212 M213 L218 Y219 I246	K42-I215 HydrophobicContact CB-CG1 3.68Å; P207-I215 HydrophobicContact CB-CD1 3.84Å; P207-I215 HydrophobicContact CG-CD1 3.87Å; G211-I215 WeakPolarHBondContact O-CB 3.4Å; G211-I215 WeakPolarHBondContact O-CD1 3.4Å; G211-I215 WeakPolarHBondContact O-CG1 3.33Å; G211-I215 PolarHBondContact O-N 3.16Å; R212-I215 PolarHBondContact O-N 3.32Å; M213-I215 PolarHBondContact O-N 2.83Å; I215-L218 PolarHBondContact O-N 3.02Å; I215-Y219 HydrophobicContact CG2-CD2 3.66Å; I215-Y219 HydrophobicContact CG2-CE2 3.52Å; I215-Y219 VanDerWaalsContact O-CD2 3.23Å; I215-Y219 WeakPolarHBondContact O-CD2 3.12Å; I215-Y219 PolarHBondContact O-N 3.26Å; I215-Y219 VanDerWaalsContact O-N 3.09Å; I215-I246 HydrophobicContact CB-CD1 4.25Å; I215-I246 HydrophobicContact CB-CG2 4.42Å; I215-I246 HydrophobicContact CD1-CD1 4.37Å; I215-I246 HydrophobicContact CG2-CB 3.87Å; I215-I246 HydrophobicContact CG2-CD1 4.09Å; I215-I246 HydrophobicContact CG2-CG2 3.65Å
216	F	97.6	Very high	94.5	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59.1	-49.7	174.3	-91.4	-66.7	0	0	0	111.1	R212 M213 L218 Y219 L220 V231 M234 A235 T238 I246 V249 V250	R212-F216 VanDerWaalsContact O-CD2 3.26Å; R212-F216 WeakPolarHBondContact O-CD2 3.29Å; R212-F216 PolarHBondContact O-N 3.26Å; M213-F216 PolarHBondContact O-N 3.49Å; F216-L218 VanDerWaalsContact C-N 3.29Å; F216-L218 PolarHBondContact O-N 3.42Å; F216-Y219 PolarHBondContact O-N 3.27Å; F216-L220 HydrophobicContact CB-CD1 4.31Å; F216-L220 VanDerWaalsContact O-CB 3.25Å; F216-L220 WeakPolarHBondContact O-CB 3.35Å; F216-L220 WeakPolarHBondContact O-CG 3.4Å; F216-L220 PolarHBondContact O-N 3.41Å; F216-V231 HydrophobicContact CB-CG1 3.63Å; F216-V231 HydrophobicContact CG-CG1 4.42Å; F216-M234 HydrophobicContact CD2-CB 4.26Å; F216-M234 HydrophobicContact CE1-CB 4.15Å; F216-M234 HydrophobicContact CE1-CE 4.24Å; F216-M234 HydrophobicContact CE2-CB 3.89Å; F216-M234 HydrophobicContact CZ-CB 3.83Å; F216-M234 HydrophobicContact CZ-CE 4.11Å; F216-A235 HydrophobicContact CD2-CB 4.31Å; F216-T238 HydrophobicContact CE2-CG2 4.21Å; F216-T238 HydrophobicContact CZ-CG2 3.97Å; F216-I246 HydrophobicContact CD1-CG2 3.65Å; F216-I246 HydrophobicContact CD2-CG2 3.93Å; F216-I246 HydrophobicContact CE1-CG2 3.7Å; F216-I246 HydrophobicContact CE2-CD1 4.31Å; F216-I246 HydrophobicContact CE2-CG1 4.07Å; F216-I246 HydrophobicContact CE2-CG2 3.97Å; F216-I246 HydrophobicContact CG-CG2 3.76Å; F216-I246 HydrophobicContact CZ-CG1 4.22Å; F216-I246 HydrophobicContact CZ-CG2 3.85Å; F216-V249 HydrophobicContact CE1-CG1 4.16Å; F216-V249 HydrophobicContact CZ-CG1 4.48Å; F216-V250 HydrophobicContact CD1-CG2 3.83Å; F216-V250 HydrophobicContact CE1-CG2 4.06Å
217	N	96.8	Very high	94.1	Very high	78 Å²	78	57 Å²	57	42%	0.417	29%	0.286	S	S	.	.	H	α-helix	trans	-56.8	-43.2	178.4	-75.8	-39.3	0	0	0	112	M213 D214 S221	M213-N217 WeakPolarHBondContact O-CB 3.38Å; M213-N217 VanDerWaalsContact O-CG 3.3Å; M213-N217 PolarHBondContact O-N 2.96Å; M213-N217 PolarHBondContact O-ND2 3.25Å; M213-N217 VanDerWaalsContact O-ND2 3.08Å; D214-N217 PolarHBondContact O-N 3.14Å; N217-S221 WeakPolarHBondContact O-CB 3.18Å; N217-S221 PolarHBondContact O-N 2.74Å
218	L	95.7	Very high	93.8	Very high	26 Å²	26	63.9 Å²	63.9	14%	0.136	32%	0.318	C	S	.	.	H	α-helix	trans	-57.6	-53.2	176.1	176.4	65.5	0	0	0	111.4	D40 K42 D214 I215 F216 S221	D40-L218 VanDerWaalsContact O-CD2 3.27Å; D40-L218 WeakPolarHBondContact O-CD2 3.43Å; K42-L218 HydrophobicContact CG-CB 4.37Å; K42-L218 HydrophobicContact CG-CD2 4.18Å; D214-L218 WeakPolarHBondContact O-CB 3.47Å; D214-L218 PolarHBondContact O-N 3.37Å; I215-L218 PolarHBondContact O-N 3.02Å; F216-L218 VanDerWaalsContact C-N 3.29Å; F216-L218 PolarHBondContact O-N 3.42Å; L218-S221 PolarHBondContact O-N 2.84Å; L218-S221 PolarHBondContact O-OG 2.86Å
219	Y	96.5	Very high	93.9	Very high	27 Å²	27	62 Å²	62	11%	0.106	31%	0.308	C	S	.	.	H	α-helix	trans	-73.9	-33.9	-176.6	-70.3	-61.4	0	0	0	113.3	I215 F216 S221 R222 I246 E247	I215-Y219 HydrophobicContact CG2-CD2 3.66Å; I215-Y219 HydrophobicContact CG2-CE2 3.52Å; I215-Y219 VanDerWaalsContact O-CD2 3.23Å; I215-Y219 WeakPolarHBondContact O-CD2 3.12Å; I215-Y219 PolarHBondContact O-N 3.26Å; I215-Y219 VanDerWaalsContact O-N 3.09Å; F216-Y219 PolarHBondContact O-N 3.27Å; Y219-S221 VanDerWaalsContact C-N 3.28Å; Y219-S221 PolarHBondContact O-N 2.62Å; Y219-R222 WeakPolarHBondContact O-CB 3.42Å; Y219-R222 PolarHBondContact O-N 3.44Å; Y219-R222 VanDerWaalsContact O-N 3.13Å; Y219-I246 HydrophobicContact CD2-CG2 4.45Å; Y219-E247 HydrophobicContact CD1-CB 4.33Å; Y219-E247 HydrophobicContact CD1-CG 3.91Å; Y219-E247 HydrophobicContact CD2-CB 4.01Å; Y219-E247 HydrophobicContact CD2-CG 4.48Å; Y219-E247 HydrophobicContact CE1-CB 3.96Å; Y219-E247 HydrophobicContact CE1-CG 3.54Å; Y219-E247 HydrophobicContact CE2-CB 3.57Å; Y219-E247 HydrophobicContact CE2-CG 4.13Å; Y219-E247 HydrophobicContact CG-CB 4.38Å; Y219-E247 HydrophobicContact CG-CG 4.39Å; Y219-E247 PolarHBondContact OH-OE2 2.87Å
220	L	96.7	Very high	94	Very high	11 Å²	11	63.8 Å²	63.8	6%	0.058	32%	0.317	C	S	.	.	H	α-helix	trans	-63.3	-35.7	173.9	-70	170.7	0	0	0	111.2	F216 R222 I223 T225 I229 V231 V250 L270	F216-L220 HydrophobicContact CB-CD1 4.31Å; F216-L220 VanDerWaalsContact O-CB 3.25Å; F216-L220 WeakPolarHBondContact O-CB 3.35Å; F216-L220 WeakPolarHBondContact O-CG 3.4Å; F216-L220 PolarHBondContact O-N 3.41Å; L220-R222 PolarHBondContact O-N 3.41Å; L220-R222 VanDerWaalsContact O-N 3.12Å; L220-I223 HydrophobicContact CD2-CD1 4.21Å; L220-I223 WeakPolarHBondContact O-CG1 3.41Å; L220-I223 PolarHBondContact O-N 3Å; L220-I223 VanDerWaalsContact O-N 3.11Å; L220-T225 HydrophobicContact CB-CG2 4.36Å; L220-T225 HydrophobicContact CD2-CG2 3.89Å; L220-I229 HydrophobicContact CD1-CG2 4Å; L220-I229 HydrophobicContact CD2-CD1 4.21Å; L220-V231 HydrophobicContact CD1-CG2 3.69Å; L220-V250 HydrophobicContact CD2-CG1 4.15Å; L220-V250 HydrophobicContact CD2-CG2 4.24Å; L220-V250 HydrophobicContact CG-CG2 4.4Å; L220-L270 HydrophobicContact CD2-CD1 4.04Å; L220-L270 HydrophobicContact CD2-CD2 4.03Å
221	S	94.6	Very high	94.1	Very high	93 Å²	93	59 Å²	59	65%	0.65	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-18.8	175.4	79.4	0	0	0	0	114.2	N217 L218 Y219	N217-S221 WeakPolarHBondContact O-CB 3.18Å; N217-S221 PolarHBondContact O-N 2.74Å; L218-S221 PolarHBondContact O-N 2.84Å; L218-S221 PolarHBondContact O-OG 2.86Å; Y219-S221 VanDerWaalsContact C-N 3.28Å; Y219-S221 PolarHBondContact O-N 2.62Å
222	R	94.1	Very high	94	Very high	140 Å²	140	63.1 Å²	63.1	53%	0.528	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-6.1	179.6	-61.3	178.7	178.3	-179	-1.1	113.1	D40 Y219 L220	D40-R222 IonicContact OD1-NH2 3.24Å; D40-R222 PolarHBondContact OD1-NH2 3.39Å; Y219-R222 WeakPolarHBondContact O-CB 3.42Å; Y219-R222 PolarHBondContact O-N 3.44Å; Y219-R222 VanDerWaalsContact O-N 3.13Å; L220-R222 PolarHBondContact O-N 3.41Å; L220-R222 VanDerWaalsContact O-N 3.12Å
223	I	95.2	Very high	93.7	Very high	48 Å²	48	64.4 Å²	64.4	25%	0.246	33%	0.325	C	S	.	.	S	Bend	trans	-128.1	164.2	-179.1	59.6	158.2	0	0	0	111.3	L220 T225 V250 A254 V265	L220-I223 HydrophobicContact CD2-CD1 4.21Å; L220-I223 WeakPolarHBondContact O-CG1 3.41Å; L220-I223 PolarHBondContact O-N 3Å; L220-I223 VanDerWaalsContact O-N 3.11Å; I223-T225 HydrophobicContact CD1-CG2 4.02Å; I223-T225 HydrophobicContact CG1-CG2 3.95Å; I223-V250 HydrophobicContact CD1-CG1 3.53Å; I223-V250 HydrophobicContact CG1-CG1 4.03Å; I223-A254 HydrophobicContact CD1-CB 4.3Å; I223-A254 HydrophobicContact CG2-CB 4.25Å; I223-V265 HydrophobicContact CD1-CB 4.2Å; I223-V265 HydrophobicContact CD1-CG1 4.47Å; I223-V265 HydrophobicContact CD1-CG2 3.88Å
224	K	94.9	Very high	93.6	Very high	167 Å²	167	61.9 Å²	61.9	73%	0.726	31%	0.313	S	S	*	.			trans	-81.5	118.8	175.1	-67.1	-175.1	180	-177.6	0	110	Y264 V265	K224-Y264 WeakPolarHBondContact O-CA 3.33Å; K224-V265 PolarHBondContact O-N 3.39Å
225	T	93.8	Very high	93.4	Very high	54 Å²	54	59.7 Å²	59.7	33%	0.331	30%	0.301	S	S	.	.	B	Isolated β-bridge	trans	-123.5	161.2	-178.3	53.2	0	0	0	0	111.8	L220 I223 I229 V265	L220-T225 HydrophobicContact CB-CG2 4.36Å; L220-T225 HydrophobicContact CD2-CG2 3.89Å; I223-T225 HydrophobicContact CD1-CG2 4.02Å; I223-T225 HydrophobicContact CG1-CG2 3.95Å; T225-I229 HydrophobicContact CG2-CD1 3.46Å; T225-I229 VanDerWaalsContact CG2-CD1 3.46Å; T225-V265 WeakPolarHBondContact CA-O 3.14Å; T225-V265 HydrophobicContact CG2-CB 4.48Å
226	N	89.5	Confident	93	Very high	44 Å²	44	61.4 Å²	61.4	24%	0.235	31%	0.308	C	S	.	.			trans	-81.7	157.6	164.2	-168.2	8.9	0	0	0	110.9	E228 Y264 V265	N226-E228 PolarHBondContact ND2-OE2 3.34Å; N226-E228 PolarHBondContact O-N 3.23Å; N226-Y264 HydrophobicContact CB-CD2 3.74Å; N226-Y264 HydrophobicContact CB-CE2 3.95Å; N226-V265 PolarHBondContact N-O 2.8Å; N226-V265 VanDerWaalsContact N-O 3.11Å
227	D	83.7	Confident	92.4	Very high	164 Å²	164	62.4 Å²	62.4	88%	0.877	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-8.4	176.5	-65.5	-26.4	0	0	0	113
228	E	87	Confident	92.2	Very high	156 Å²	156	58.7 Å²	58.7	73%	0.729	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	10.7	-177.4	-61.5	-179.2	163.7	0	0	114.1	N226 D230	N226-E228 PolarHBondContact ND2-OE2 3.34Å; N226-E228 PolarHBondContact O-N 3.23Å; E228-D230 PolarHBondContact O-N 3.09Å
229	I	92.1	Very high	91.7	Very high	27 Å²	27	61.1 Å²	61.1	14%	0.138	31%	0.311	C	S	.	.			trans	-76.1	116.6	-179.9	-64.3	-179.5	0	0	0	110.7	L220 T225 V231 L270	L220-I229 HydrophobicContact CD1-CG2 4Å; L220-I229 HydrophobicContact CD2-CD1 4.21Å; T225-I229 HydrophobicContact CG2-CD1 3.46Å; T225-I229 VanDerWaalsContact CG2-CD1 3.46Å; I229-V231 HydrophobicContact CG2-CG2 4.04Å; I229-V231 PolarHBondContact O-N 3.46Å; I229-L270 HydrophobicContact CD1-CD1 3.83Å; I229-L270 HydrophobicContact CG1-CD1 4.22Å; I229-L270 HydrophobicContact CG2-CD1 3.55Å
230	D	92.3	Very high	91.2	Very high	73 Å²	73	61.9 Å²	61.9	39%	0.39	33%	0.327	S	S	.	.			trans	-86.6	93.5	170.7	-176.5	-5.2	0	0	0	110.9	E228 E232 T233 M234 M267	E228-D230 PolarHBondContact O-N 3.09Å; D230-E232 VanDerWaalsContact C-N 3.28Å; D230-E232 PolarHBondContact O-N 2.92Å; D230-E232 WeakPolarHBondContact OD1-CB 3.25Å; D230-E232 PolarHBondContact OD1-N 3.35Å; D230-T233 VanDerWaalsContact CG-OG1 3.27Å; D230-T233 PolarHBondContact O-N 3.38Å; D230-T233 PolarHBondContact OD1-N 2.96Å; D230-T233 VanDerWaalsContact OD2-CB 3.32Å; D230-T233 WeakPolarHBondContact OD2-CB 3.44Å; D230-T233 PolarHBondContact OD2-OG1 2.88Å; D230-M234 PolarHBondContact O-N 3.39Å; D230-M267 HydrophobicContact CB-CE 4.36Å
231	V	95.1	Very high	91.1	Very high	18 Å²	18	62.2 Å²	62.2	11%	0.109	33%	0.328	C	S	.	.	H	α-helix	trans	-65.1	-31.4	177.9	178.1	0	0	0	0	112.2	M213 F216 L220 I229 M234 A235	M213-V231 HydrophobicContact CB-CG1 4.16Å; M213-V231 HydrophobicContact CG-CG1 4.32Å; F216-V231 HydrophobicContact CB-CG1 3.63Å; F216-V231 HydrophobicContact CG-CG1 4.42Å; L220-V231 HydrophobicContact CD1-CG2 3.69Å; I229-V231 HydrophobicContact CG2-CG2 4.04Å; I229-V231 PolarHBondContact O-N 3.46Å; V231-M234 PolarHBondContact O-N 3.15Å; V231-A235 WeakPolarHBondContact O-CB 3.31Å; V231-A235 PolarHBondContact O-N 3.32Å
232	E	92.4	Very high	91.1	Very high	87 Å²	87	58 Å²	58	41%	0.407	30%	0.298	S	S	.	.	H	α-helix	trans	-67	-44	179.8	-171.6	-176.9	165.9	0	0	110.4	M213 D230 M234 A235 K236	M213-E232 HydrophobicContact CE-CB 4.18Å; M213-E232 HydrophobicContact CE-CG 4.47Å; M213-E232 HydrophobicContact SD-CG 4.34Å; D230-E232 VanDerWaalsContact C-N 3.28Å; D230-E232 PolarHBondContact O-N 2.92Å; D230-E232 WeakPolarHBondContact OD1-CB 3.25Å; D230-E232 PolarHBondContact OD1-N 3.35Å; E232-M234 VanDerWaalsContact C-N 3.32Å; E232-M234 PolarHBondContact O-N 3.03Å; E232-A235 PolarHBondContact O-N 3.37Å; E232-K236 HydrophobicContact CG-CD 4.38Å; E232-K236 WeakPolarHBondContact O-CB 3.23Å; E232-K236 WeakPolarHBondContact O-CG 3.09Å; E232-K236 PolarHBondContact O-N 3.48Å; E232-K236 WeakPolarHBondContact OE1-CE 3.28Å; E232-K236 IonicContact OE1-NZ 3.45Å; E232-K236 PolarHBondContact OE1-NZ 3.22Å
233	T	89.8	Confident	91.1	Very high	30 Å²	30	51.8 Å²	51.8	18%	0.184	28%	0.278	C	S	.	.	H	α-helix	trans	-60.9	-41.1	174.5	-71.8	0	0	0	0	111.8	D230 G237 M267 M334	D230-T233 VanDerWaalsContact CG-OG1 3.27Å; D230-T233 PolarHBondContact O-N 3.38Å; D230-T233 PolarHBondContact OD1-N 2.96Å; D230-T233 VanDerWaalsContact OD2-CB 3.32Å; D230-T233 WeakPolarHBondContact OD2-CB 3.44Å; D230-T233 PolarHBondContact OD2-OG1 2.88Å; T233-G237 PolarHBondContact O-N 2.73Å; T233-G237 VanDerWaalsContact O-N 3.11Å; T233-M267 HydrophobicContact CG2-CE 3.71Å; T233-M334 HydrophobicContact CG2-CE 4.1Å; T233-M334 WeakPolarHBondContact O-CE 3.37Å
234	M	93	Very high	91.1	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-63.7	-46.9	175.1	-70.5	-54.7	-61.1	0	0	112.1	F216 D230 V231 E232 K236 G237 T238 V249 M267 L270 K274	F216-M234 HydrophobicContact CD2-CB 4.26Å; F216-M234 HydrophobicContact CE1-CB 4.15Å; F216-M234 HydrophobicContact CE1-CE 4.24Å; F216-M234 HydrophobicContact CE2-CB 3.89Å; F216-M234 HydrophobicContact CZ-CB 3.83Å; F216-M234 HydrophobicContact CZ-CE 4.11Å; D230-M234 PolarHBondContact O-N 3.39Å; V231-M234 PolarHBondContact O-N 3.15Å; E232-M234 VanDerWaalsContact C-N 3.32Å; E232-M234 PolarHBondContact O-N 3.03Å; M234-K236 PolarHBondContact O-N 3.47Å; M234-G237 WeakPolarHBondContact O-CA 3.03Å; M234-G237 PolarHBondContact O-N 2.85Å; M234-T238 WeakPolarHBondContact O-CG2 3.26Å; M234-T238 PolarHBondContact O-N 2.71Å; M234-T238 PolarHBondContact O-OG1 2.99Å; M234-V249 HydrophobicContact CE-CG1 4.09Å; M234-M267 HydrophobicContact CG-CE 3.78Å; M234-M267 HydrophobicContact CG-SD 4.06Å; M234-M267 HydrophobicContact SD-CE 3.68Å; M234-M267 HydrophobicContact SD-SD 4.16Å; M234-L270 HydrophobicContact CE-CB 3.9Å; M234-L270 HydrophobicContact CG-CB 4.47Å; M234-L270 HydrophobicContact CG-CD1 4.41Å; M234-L270 HydrophobicContact SD-CB 3.94Å; M234-K274 HydrophobicContact CE-CB 3.89Å; M234-K274 HydrophobicContact CE-CD 4.22Å; M234-K274 HydrophobicContact CE-CG 4.47Å
235	A	92.7	Very high	91.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65.2	-35.3	-179.3	0	0	0	0	0	113.2	L209 R212 M213 F216 V231 E232 G237 T238	L209-A235 HydrophobicContact CD1-CB 3.75Å; R212-A235 HydrophobicContact CB-CB 3.94Å; R212-A235 PolarHBondContact NE-O 2.9Å; R212-A235 PolarHBondContact NH2-O 3.31Å; R212-A235 VanDerWaalsContact NH2-O 3.11Å; M213-A235 HydrophobicContact CB-CB 4.41Å; M213-A235 HydrophobicContact CG-CB 3.45Å; M213-A235 VanDerWaalsContact CG-CB 3.45Å; F216-A235 HydrophobicContact CD2-CB 4.31Å; V231-A235 WeakPolarHBondContact O-CB 3.31Å; V231-A235 PolarHBondContact O-N 3.32Å; E232-A235 PolarHBondContact O-N 3.37Å; A235-G237 VanDerWaalsContact C-N 3.29Å; A235-T238 PolarHBondContact O-OG1 3.37Å
236	K	88.8	Confident	91.4	Very high	45 Å²	45	43.7 Å²	43.7	20%	0.196	25%	0.247	C	C	.	.	H	α-helix	trans	-68.9	-28.2	171.7	-71.8	176.6	-179.3	162.6	0	112.6	L209 E232 M234 T238 M334	L209-K236 HydrophobicContact CD1-CG 3.78Å; E232-K236 HydrophobicContact CG-CD 4.38Å; E232-K236 WeakPolarHBondContact O-CB 3.23Å; E232-K236 WeakPolarHBondContact O-CG 3.09Å; E232-K236 PolarHBondContact O-N 3.48Å; E232-K236 WeakPolarHBondContact OE1-CE 3.28Å; E232-K236 IonicContact OE1-NZ 3.45Å; E232-K236 PolarHBondContact OE1-NZ 3.22Å; M234-K236 PolarHBondContact O-N 3.47Å; K236-T238 VanDerWaalsContact C-N 3.35Å; K236-M334 HydrophobicContact CB-CE 3.96Å; K236-M334 HydrophobicContact CB-CG 3.55Å; K236-M334 HydrophobicContact CB-SD 3.46Å; K236-M334 WeakPolarHBondContact CB-SD 3.36Å; K236-M334 HydrophobicContact CD-CG 4.31Å; K236-M334 HydrophobicContact CD-SD 3.95Å; K236-M334 HydrophobicContact CG-CG 4.48Å; K236-M334 HydrophobicContact CG-SD 4.36Å
237	G	86.7	Confident	91.7	Very high	21 Å²	21	45.9 Å²	45.9	22%	0.216	26%	0.256	C	S	.	.	H	α-helix	trans	-82.7	-8.9	-179.7	0	0	0	0	0	114.6	T233 M234 A235	T233-G237 PolarHBondContact O-N 2.73Å; T233-G237 VanDerWaalsContact O-N 3.11Å; M234-G237 WeakPolarHBondContact O-CA 3.03Å; M234-G237 PolarHBondContact O-N 2.85Å; A235-G237 VanDerWaalsContact C-N 3.29Å
238	T	90.8	Very high	92.4	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120	39	-175.6	58.4	0	0	0	0	112.2	R212 F216 M234 A235 K236 G240 F241 K274	R212-T238 WeakPolarHBondContact CD-O 3.47Å; R212-T238 PolarHBondContact NE-O 2.92Å; F216-T238 HydrophobicContact CE2-CG2 4.21Å; F216-T238 HydrophobicContact CZ-CG2 3.97Å; M234-T238 WeakPolarHBondContact O-CG2 3.26Å; M234-T238 PolarHBondContact O-N 2.71Å; M234-T238 PolarHBondContact O-OG1 2.99Å; A235-T238 PolarHBondContact O-OG1 3.37Å; K236-T238 VanDerWaalsContact C-N 3.35Å; T238-G240 PolarHBondContact O-N 2.93Å; T238-F241 HydrophobicContact CG2-CD1 3.84Å; T238-F241 HydrophobicContact CG2-CD2 4.4Å; T238-F241 HydrophobicContact CG2-CE1 3.91Å; T238-F241 HydrophobicContact CG2-CE2 4.45Å; T238-F241 HydrophobicContact CG2-CG 4.12Å; T238-F241 HydrophobicContact CG2-CZ 4.23Å; T238-F241 VanDerWaalsContact O-CB 3.3Å; T238-F241 WeakPolarHBondContact O-CB 3.48Å; T238-F241 PolarHBondContact O-N 3.47Å; T238-F241 VanDerWaalsContact O-N 3.13Å; T238-K274 HydrophobicContact CG2-CD 4.25Å; T238-K274 HydrophobicContact CG2-CG 4.08Å
239	I	86.1	Confident	92.9	Very high	78 Å²	78	33.6 Å²	33.6	40%	0.4	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	132.5	174	-63	170.4	0	0	0	109.2	F241 P335	I239-F241 VanDerWaalsContact C-N 3.29Å; I239-F241 PolarHBondContact O-N 3.01Å; I239-P335 HydrophobicContact CD1-CB 4.24Å; I239-P335 HydrophobicContact CD1-CG 3.68Å
240	G	86.7	Confident	93.2	Very high	42 Å²	42	32.5 Å²	32.5	43%	0.433	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	1.4	-178.7	0	0	0	0	0	115	Y206 T238	Y206-G240 WeakPolarHBondContact CD1-O 3.47Å; Y206-G240 WeakPolarHBondContact CE1-O 3.15Å; T238-G240 PolarHBondContact O-N 2.93Å
241	F	93.4	Very high	93.4	Very high	18 Å²	18	33 Å²	33	8%	0.079	19%	0.192	C	C	.	.			trans	-74	140.6	174.3	-81	-135.3	0	0	0	110.5	P207 T238 I239 D245 I246 V249 V277 L278	P207-F241 WeakPolarHBondContact CD-O 3.13Å; P207-F241 WeakPolarHBondContact CG-O 3.37Å; T238-F241 HydrophobicContact CG2-CD1 3.84Å; T238-F241 HydrophobicContact CG2-CD2 4.4Å; T238-F241 HydrophobicContact CG2-CE1 3.91Å; T238-F241 HydrophobicContact CG2-CE2 4.45Å; T238-F241 HydrophobicContact CG2-CG 4.12Å; T238-F241 HydrophobicContact CG2-CZ 4.23Å; T238-F241 VanDerWaalsContact O-CB 3.3Å; T238-F241 WeakPolarHBondContact O-CB 3.48Å; T238-F241 PolarHBondContact O-N 3.47Å; T238-F241 VanDerWaalsContact O-N 3.13Å; I239-F241 VanDerWaalsContact C-N 3.29Å; I239-F241 PolarHBondContact O-N 3.01Å; F241-D245 HydrophobicContact CB-CB 3.95Å; F241-D245 HydrophobicContact CD1-CB 3.48Å; F241-D245 VanDerWaalsContact CD1-CB 3.48Å; F241-D245 HydrophobicContact CE1-CB 4.22Å; F241-D245 HydrophobicContact CG-CB 3.95Å; F241-I246 HydrophobicContact CB-CG1 4.12Å; F241-V249 HydrophobicContact CD1-CG2 4.36Å; F241-V249 HydrophobicContact CE1-CG2 3.85Å; F241-V277 HydrophobicContact CE1-CB 4.39Å; F241-V277 HydrophobicContact CE1-CG1 3.8Å; F241-V277 HydrophobicContact CZ-CG1 4.28Å; F241-L278 HydrophobicContact CE2-CD1 4.07Å; F241-L278 HydrophobicContact CZ-CB 4.31Å; F241-L278 HydrophobicContact CZ-CD1 4.27Å
242	S	94.5	Very high	93.5	Very high	4 Å²	4	34.7 Å²	34.7	3%	0.028	20%	0.199	C	C	.	.			trans	-79	169	167.2	72.8	0	0	0	0	111.4	A244 D245 I246	S242-A244 PolarHBondContact O-N 2.9Å; S242-D245 VanDerWaalsContact CB-OD2 3.3Å; S242-D245 WeakPolarHBondContact CB-OD2 3.48Å; S242-D245 PolarHBondContact N-OD2 3.35Å; S242-D245 PolarHBondContact O-N 3.49Å; S242-D245 VanDerWaalsContact O-N 3.14Å; S242-D245 PolarHBondContact OG-N 3.43Å; S242-D245 PolarHBondContact OG-OD2 3.48Å; S242-I246 PolarHBondContact O-N 2.92Å; S242-I246 VanDerWaalsContact O-N 3.11Å
243	G	95.2	Very high	93.7	Very high	11 Å²	11	30.5 Å²	30.5	11%	0.113	18%	0.18	C	C	.	.	H	α-helix	trans	-60.3	-36.2	174.6	0	0	0	0	0	112.7	G82 I246 E247	G82-G243 PolarHBondContact O-N 2.97Å; G243-I246 PolarHBondContact O-N 3.13Å; G243-E247 PolarHBondContact O-N 3.3Å
244	A	95.5	Very high	94.1	Very high	41 Å²	41	30.2 Å²	30.2	34%	0.339	18%	0.18	S	C	.	.	H	α-helix	trans	-67.1	-35.3	174.5	0	0	0	0	0	112.8	G82 S242 E247 N248	G82-A244 PolarHBondContact O-N 3.35Å; S242-A244 PolarHBondContact O-N 2.9Å; A244-E247 PolarHBondContact O-N 2.91Å; A244-N248 WeakPolarHBondContact O-CB 3.39Å; A244-N248 PolarHBondContact O-N 3.48Å
245	D	95.7	Very high	94.3	Very high	58 Å²	58	34.7 Å²	34.7	31%	0.31	20%	0.203	S	C	.	.	H	α-helix	trans	-67	-41.9	175.8	-60.3	-52.2	0	0	0	110.9	F241 S242 N248 V249	F241-D245 HydrophobicContact CB-CB 3.95Å; F241-D245 HydrophobicContact CD1-CB 3.48Å; F241-D245 VanDerWaalsContact CD1-CB 3.48Å; F241-D245 HydrophobicContact CE1-CB 4.22Å; F241-D245 HydrophobicContact CG-CB 3.95Å; S242-D245 VanDerWaalsContact CB-OD2 3.3Å; S242-D245 WeakPolarHBondContact CB-OD2 3.48Å; S242-D245 PolarHBondContact N-OD2 3.35Å; S242-D245 PolarHBondContact O-N 3.49Å; S242-D245 VanDerWaalsContact O-N 3.14Å; S242-D245 PolarHBondContact OG-N 3.43Å; S242-D245 PolarHBondContact OG-OD2 3.48Å; D245-N248 WeakPolarHBondContact O-CB 3.42Å; D245-N248 PolarHBondContact O-N 2.89Å; D245-V249 WeakPolarHBondContact O-CG2 3.36Å; D245-V249 PolarHBondContact O-N 3.44Å
246	I	97.6	Very high	94.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-64.6	-44.3	176	-68.3	164.2	0	0	0	111	R212 I215 F216 Y219 F241 S242 G243 N248 V249 V250	R212-I246 HydrophobicContact CB-CD1 3.95Å; R212-I246 HydrophobicContact CG-CD1 3.8Å; I215-I246 HydrophobicContact CB-CD1 4.25Å; I215-I246 HydrophobicContact CB-CG2 4.42Å; I215-I246 HydrophobicContact CD1-CD1 4.37Å; I215-I246 HydrophobicContact CG2-CB 3.87Å; I215-I246 HydrophobicContact CG2-CD1 4.09Å; I215-I246 HydrophobicContact CG2-CG2 3.65Å; F216-I246 HydrophobicContact CD1-CG2 3.65Å; F216-I246 HydrophobicContact CD2-CG2 3.93Å; F216-I246 HydrophobicContact CE1-CG2 3.7Å; F216-I246 HydrophobicContact CE2-CD1 4.31Å; F216-I246 HydrophobicContact CE2-CG1 4.07Å; F216-I246 HydrophobicContact CE2-CG2 3.97Å; F216-I246 HydrophobicContact CG-CG2 3.76Å; F216-I246 HydrophobicContact CZ-CG1 4.22Å; F216-I246 HydrophobicContact CZ-CG2 3.85Å; Y219-I246 HydrophobicContact CD2-CG2 4.45Å; F241-I246 HydrophobicContact CB-CG1 4.12Å; S242-I246 PolarHBondContact O-N 2.92Å; S242-I246 VanDerWaalsContact O-N 3.11Å; G243-I246 PolarHBondContact O-N 3.13Å; I246-N248 VanDerWaalsContact C-N 3.25Å; I246-N248 PolarHBondContact O-N 3.16Å; I246-V249 WeakPolarHBondContact O-CB 3.39Å; I246-V249 PolarHBondContact O-N 3.42Å; I246-V249 VanDerWaalsContact O-N 3.13Å; I246-V250 PolarHBondContact O-N 3.34Å
247	E	97.3	Very high	94.7	Very high	89 Å²	89	35.6 Å²	35.6	42%	0.416	21%	0.208	S	C	.	.	H	α-helix	trans	-54	-46.1	172.8	-175.9	175.1	-160.4	0	0	110.9	Y219 G243 A244 V249 V250 N251	Y219-E247 HydrophobicContact CD1-CB 4.33Å; Y219-E247 HydrophobicContact CD1-CG 3.91Å; Y219-E247 HydrophobicContact CD2-CB 4.01Å; Y219-E247 HydrophobicContact CD2-CG 4.48Å; Y219-E247 HydrophobicContact CE1-CB 3.96Å; Y219-E247 HydrophobicContact CE1-CG 3.54Å; Y219-E247 HydrophobicContact CE2-CB 3.57Å; Y219-E247 HydrophobicContact CE2-CG 4.13Å; Y219-E247 HydrophobicContact CG-CB 4.38Å; Y219-E247 HydrophobicContact CG-CG 4.39Å; Y219-E247 PolarHBondContact OH-OE2 2.87Å; G243-E247 PolarHBondContact O-N 3.3Å; A244-E247 PolarHBondContact O-N 2.91Å; E247-V249 PolarHBondContact O-N 3.11Å; E247-V250 PolarHBondContact O-N 3.3Å; E247-N251 WeakPolarHBondContact O-CB 3.42Å; E247-N251 PolarHBondContact O-N 3.25Å
248	N	97.1	Very high	95.2	Very high	62 Å²	62	37.6 Å²	37.6	33%	0.332	22%	0.222	S	C	.	.	H	α-helix	trans	-63.7	-40.9	177.8	-171.5	32.4	0	0	0	111.8	A244 D245 I246 V250 N251 Q252 V277	A244-N248 WeakPolarHBondContact O-CB 3.39Å; A244-N248 PolarHBondContact O-N 3.48Å; D245-N248 WeakPolarHBondContact O-CB 3.42Å; D245-N248 PolarHBondContact O-N 2.89Å; I246-N248 VanDerWaalsContact C-N 3.25Å; I246-N248 PolarHBondContact O-N 3.16Å; N248-V250 PolarHBondContact O-N 3Å; N248-N251 PolarHBondContact O-N 3.11Å; N248-Q252 WeakPolarHBondContact O-CB 3.11Å; N248-Q252 VanDerWaalsContact O-CG 3.23Å; N248-Q252 WeakPolarHBondContact O-CG 3.39Å; N248-Q252 PolarHBondContact O-N 2.9Å; N248-Q252 PolarHBondContact OD1-NE2 3.32Å; N248-V277 HydrophobicContact CB-CG2 4.48Å
249	V	97.8	Very high	95.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-57.3	-50.3	174.1	170.1	0	0	0	0	111	F216 M234 F241 D245 I246 E247 N251 Q252 A253 A273 K274 V277	F216-V249 HydrophobicContact CE1-CG1 4.16Å; F216-V249 HydrophobicContact CZ-CG1 4.48Å; M234-V249 HydrophobicContact CE-CG1 4.09Å; F241-V249 HydrophobicContact CD1-CG2 4.36Å; F241-V249 HydrophobicContact CE1-CG2 3.85Å; D245-V249 WeakPolarHBondContact O-CG2 3.36Å; D245-V249 PolarHBondContact O-N 3.44Å; I246-V249 WeakPolarHBondContact O-CB 3.39Å; I246-V249 PolarHBondContact O-N 3.42Å; I246-V249 VanDerWaalsContact O-N 3.13Å; E247-V249 PolarHBondContact O-N 3.11Å; V249-N251 VanDerWaalsContact C-N 3.33Å; V249-N251 PolarHBondContact O-N 3.08Å; V249-Q252 PolarHBondContact O-N 2.84Å; V249-A253 WeakPolarHBondContact O-CB 3.34Å; V249-A253 PolarHBondContact O-N 3.12Å; V249-A273 HydrophobicContact CG1-CB 4.11Å; V249-A273 WeakPolarHBondContact O-CB 3.3Å; V249-K274 HydrophobicContact CG1-CB 4.25Å; V249-V277 HydrophobicContact CG2-CB 3.95Å; V249-V277 HydrophobicContact CG2-CG1 4.3Å; V249-V277 HydrophobicContact CG2-CG2 3.72Å
250	V	98	Very high	95.9	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.024	25%	0.247	C	C	.	.	H	α-helix	trans	-63	-42.4	-179.5	177.1	0	0	0	0	111	F216 L220 I223 I246 E247 N248 A253 A254 L270	F216-V250 HydrophobicContact CD1-CG2 3.83Å; F216-V250 HydrophobicContact CE1-CG2 4.06Å; L220-V250 HydrophobicContact CD2-CG1 4.15Å; L220-V250 HydrophobicContact CD2-CG2 4.24Å; L220-V250 HydrophobicContact CG-CG2 4.4Å; I223-V250 HydrophobicContact CD1-CG1 3.53Å; I223-V250 HydrophobicContact CG1-CG1 4.03Å; I246-V250 PolarHBondContact O-N 3.34Å; E247-V250 PolarHBondContact O-N 3.3Å; N248-V250 PolarHBondContact O-N 3Å; V250-A253 PolarHBondContact O-N 3.45Å; V250-A254 PolarHBondContact O-N 3.37Å; V250-L270 HydrophobicContact CG2-CD2 4.43Å
251	N	97.5	Very high	96.3	Very high	83 Å²	83	45.2 Å²	45.2	44%	0.444	26%	0.264	S	S	.	.	H	α-helix	trans	-63.8	-45.3	177.3	-177.4	52.6	0	0	0	112.5	E247 N248 V249 A253 A254 L255	E247-N251 WeakPolarHBondContact O-CB 3.42Å; E247-N251 PolarHBondContact O-N 3.25Å; N248-N251 PolarHBondContact O-N 3.11Å; V249-N251 VanDerWaalsContact C-N 3.33Å; V249-N251 PolarHBondContact O-N 3.08Å; N251-A253 VanDerWaalsContact C-N 3.29Å; N251-A253 PolarHBondContact O-N 3.31Å; N251-A254 PolarHBondContact O-N 3.02Å; N251-L255 WeakPolarHBondContact O-CG 3.44Å; N251-L255 PolarHBondContact O-N 3.46Å
252	Q	97	Very high	96.3	Very high	54 Å²	54	50 Å²	50	25%	0.252	29%	0.285	S	S	.	.	H	α-helix	trans	-63.5	-35.7	176.9	-69.7	-55.3	-39.2	0	0	112.1	N248 V249 L255 K256 A273 L276 V277	N248-Q252 WeakPolarHBondContact O-CB 3.11Å; N248-Q252 VanDerWaalsContact O-CG 3.23Å; N248-Q252 WeakPolarHBondContact O-CG 3.39Å; N248-Q252 PolarHBondContact O-N 2.9Å; N248-Q252 PolarHBondContact OD1-NE2 3.32Å; V249-Q252 PolarHBondContact O-N 2.84Å; Q252-L255 PolarHBondContact O-N 2.93Å; Q252-K256 WeakPolarHBondContact O-CB 3.3Å; Q252-K256 PolarHBondContact O-N 2.89Å; Q252-A273 HydrophobicContact CB-CB 3.75Å; Q252-L276 HydrophobicContact CB-CD2 4.14Å; Q252-L276 HydrophobicContact CG-CD2 4.02Å; Q252-V277 HydrophobicContact CG-CG2 4.49Å
253	A	97.2	Very high	96.3	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-64.1	-45.2	175.1	0	0	0	0	0	111.1	V249 V250 N251 K256 A257 V265 Y269 L270 A273	V249-A253 WeakPolarHBondContact O-CB 3.34Å; V249-A253 PolarHBondContact O-N 3.12Å; V250-A253 PolarHBondContact O-N 3.45Å; N251-A253 VanDerWaalsContact C-N 3.29Å; N251-A253 PolarHBondContact O-N 3.31Å; A253-K256 PolarHBondContact O-N 3.31Å; A253-A257 WeakPolarHBondContact O-CB 3.41Å; A253-A257 PolarHBondContact O-N 3.31Å; A253-V265 HydrophobicContact CB-CG1 3.83Å; A253-Y269 WeakPolarHBondContact CB-O 3.17Å; A253-L270 HydrophobicContact CB-CD2 3.71Å; A253-L270 HydrophobicContact CB-CG 4.19Å; A253-A273 HydrophobicContact CB-CB 3.78Å
254	A	97.2	Very high	96.3	Very high	24 Å²	24	62.8 Å²	62.8	20%	0.198	34%	0.337	C	S	.	.	H	α-helix	trans	-62.3	-44.9	175.9	0	0	0	0	0	112.5	I223 V250 N251 K256 A257 A258 V265	I223-A254 HydrophobicContact CD1-CB 4.3Å; I223-A254 HydrophobicContact CG2-CB 4.25Å; V250-A254 PolarHBondContact O-N 3.37Å; N251-A254 PolarHBondContact O-N 3.02Å; A254-K256 VanDerWaalsContact C-N 3.32Å; A254-K256 PolarHBondContact O-N 3.36Å; A254-A257 PolarHBondContact O-N 3.31Å; A254-A258 WeakPolarHBondContact O-CB 3.33Å; A254-A258 PolarHBondContact O-N 3.38Å; A254-V265 HydrophobicContact CB-CG2 4.2Å
255	L	96.9	Very high	96.4	Very high	94 Å²	94	61.1 Å²	61.1	49%	0.492	32%	0.322	S	S	.	.	H	α-helix	trans	-60.7	-41.5	176.3	-71.4	174.3	0	0	0	111.9	N251 Q252 A259	N251-L255 WeakPolarHBondContact O-CG 3.44Å; N251-L255 PolarHBondContact O-N 3.46Å; Q252-L255 PolarHBondContact O-N 2.93Å; L255-A259 WeakPolarHBondContact O-CB 3.29Å; L255-A259 PolarHBondContact O-N 3.2Å
256	K	95.3	Very high	96.3	Very high	62 Å²	62	60 Å²	60	27%	0.27	32%	0.317	S	S	.	.	H	α-helix	trans	-69.2	-43.7	178.8	-179.7	58.5	178	140.5	0	112.1	Q252 A253 A254 A258 A259 D260 Y269 Y272	Q252-K256 WeakPolarHBondContact O-CB 3.3Å; Q252-K256 PolarHBondContact O-N 2.89Å; A253-K256 PolarHBondContact O-N 3.31Å; A254-K256 VanDerWaalsContact C-N 3.32Å; A254-K256 PolarHBondContact O-N 3.36Å; K256-A258 VanDerWaalsContact C-N 3.33Å; K256-A258 PolarHBondContact O-N 2.92Å; K256-A259 PolarHBondContact O-N 2.73Å; K256-D260 VanDerWaalsContact CE-OD2 3.28Å; K256-D260 WeakPolarHBondContact CE-OD2 3.4Å; K256-D260 IonicContact NZ-OD1 2.76Å; K256-D260 PolarHBondContact NZ-OD1 3.4Å; K256-D260 IonicContact NZ-OD2 3.68Å; K256-D260 PolarHBondContact NZ-OD2 2.86Å; K256-D260 PolarHBondContact O-N 3.28Å; K256-Y269 HydrophobicContact CB-CD1 4.02Å; K256-Y269 HydrophobicContact CG-CD1 3.55Å; K256-Y269 HydrophobicContact CG-CE1 3.77Å; K256-Y272 HydrophobicContact CB-CD1 4.08Å; K256-Y272 HydrophobicContact CB-CE1 4.03Å; K256-Y272 HydrophobicContact CD-CD1 4.38Å; K256-Y272 HydrophobicContact CD-CE1 3.93Å; K256-Y272 HydrophobicContact CG-CD1 3.71Å; K256-Y272 HydrophobicContact CG-CE1 3.7Å
257	A	96.3	Very high	96	Very high	3 Å²	3	61.9 Å²	61.9	3%	0.025	33%	0.325	C	S	.	.	H	α-helix	trans	-61.3	-42.2	175.7	0	0	0	0	0	111.6	A253 A254 D260 N261 K262 V265 Y269	A253-A257 WeakPolarHBondContact O-CB 3.41Å; A253-A257 PolarHBondContact O-N 3.31Å; A254-A257 PolarHBondContact O-N 3.31Å; A257-D260 CarbonylContact O-C 3.58Å; A257-D260 PolarHBondContact O-N 3Å; A257-N261 PolarHBondContact O-N 3.32Å; A257-K262 HydrophobicContact CB-CB 4.33Å; A257-K262 PolarHBondContact O-N 2.83Å; A257-V265 HydrophobicContact CB-CG2 3.87Å; A257-Y269 HydrophobicContact CB-CD1 4.16Å; A257-Y269 HydrophobicContact CB-CD2 3.84Å; A257-Y269 HydrophobicContact CB-CE1 4.33Å; A257-Y269 HydrophobicContact CB-CE2 4.05Å; A257-Y269 HydrophobicContact CB-CG 3.92Å
258	A	96.4	Very high	95.7	Very high	62 Å²	62	63.6 Å²	63.6	51%	0.512	33%	0.334	S	S	.	.	H	α-helix	trans	-63.1	-43	174.8	0	0	0	0	0	112.1	A254 K256 D260 N261	A254-A258 WeakPolarHBondContact O-CB 3.33Å; A254-A258 PolarHBondContact O-N 3.38Å; K256-A258 VanDerWaalsContact C-N 3.33Å; K256-A258 PolarHBondContact O-N 2.92Å; A258-D260 PolarHBondContact O-N 3.49Å; A258-N261 PolarHBondContact O-N 2.92Å
259	A	95.2	Very high	95.6	Very high	69 Å²	69	61.6 Å²	61.6	57%	0.57	32%	0.321	S	S	*	.	H	α-helix	trans	-62.6	-31.7	176.5	0	0	0	0	0	112.9	L255 K256 N261	L255-A259 WeakPolarHBondContact O-CB 3.29Å; L255-A259 PolarHBondContact O-N 3.2Å; K256-A259 PolarHBondContact O-N 2.73Å; A259-N261 VanDerWaalsContact C-N 3.26Å; A259-N261 PolarHBondContact O-N 3.11Å
260	D	95.8	Very high	95.5	Very high	64 Å²	64	61.6 Å²	61.6	34%	0.342	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	8.4	176.4	-66.7	-9.2	0	0	0	113	K256 A257 A258 K262 Y269	K256-D260 VanDerWaalsContact CE-OD2 3.28Å; K256-D260 WeakPolarHBondContact CE-OD2 3.4Å; K256-D260 IonicContact NZ-OD1 2.76Å; K256-D260 PolarHBondContact NZ-OD1 3.4Å; K256-D260 IonicContact NZ-OD2 3.68Å; K256-D260 PolarHBondContact NZ-OD2 2.86Å; K256-D260 PolarHBondContact O-N 3.28Å; A257-D260 CarbonylContact O-C 3.58Å; A257-D260 PolarHBondContact O-N 3Å; A258-D260 PolarHBondContact O-N 3.49Å; D260-K262 VanDerWaalsContact C-N 3.31Å; D260-K262 HydrophobicContact CB-CG 4.3Å; D260-K262 PolarHBondContact O-N 3.39Å; D260-Y269 HydrophobicContact CB-CE1 4.35Å; D260-Y269 WeakPolarHBondContact CB-OH 3.5Å; D260-Y269 VanDerWaalsContact OD2-CE1 3.31Å; D260-Y269 WeakPolarHBondContact OD2-CE1 3.3Å; D260-Y269 PolarHBondContact OD2-OH 3.09Å
261	N	95.3	Very high	95.1	Very high	148 Å²	148	63.5 Å²	63.5	79%	0.791	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	40.8	-178.3	-57.9	-73.5	0	0	0	113.6	A257 A258 A259	A257-N261 PolarHBondContact O-N 3.32Å; A258-N261 PolarHBondContact O-N 2.92Å; A259-N261 VanDerWaalsContact C-N 3.26Å; A259-N261 PolarHBondContact O-N 3.11Å
262	K	94	Very high	94.8	Very high	119 Å²	119	63.3 Å²	63.3	52%	0.517	32%	0.324	S	S	.	.			trans	-89.6	149	172.1	-59.9	-60.8	-173.4	167.9	0	111.5	A257 D260 Y269	A257-K262 HydrophobicContact CB-CB 4.33Å; A257-K262 PolarHBondContact O-N 2.83Å; D260-K262 VanDerWaalsContact C-N 3.31Å; D260-K262 HydrophobicContact CB-CG 4.3Å; D260-K262 PolarHBondContact O-N 3.39Å; K262-Y269 HydrophobicContact CB-CE2 4.39Å; K262-Y269 WeakPolarHBondContact CE-OH 3.47Å; K262-Y269 HydrophobicContact CG-CE2 3.79Å; K262-Y269 WeakPolarHBondContact CG-OH 3.26Å
263	E	93.8	Very high	94.6	Very high	168 Å²	168	60.8 Å²	60.8	79%	0.785	31%	0.312	S	S	*	.	S	Bend	trans	-80.7	-23.8	179.2	-64.6	-171.5	163.5	0	0	113.5
264	Y	95.6	Very high	94.4	Very high	114 Å²	114	61 Å²	61	45%	0.447	31%	0.313	S	S	.	.	S	Bend	trans	-142.7	156.2	-177.8	53.4	-95	0	0	0	111	K224 N226	K224-Y264 WeakPolarHBondContact O-CA 3.33Å; N226-Y264 HydrophobicContact CB-CD2 3.74Å; N226-Y264 HydrophobicContact CB-CE2 3.95Å
265	V	96.4	Very high	93.8	Very high	6 Å²	6	60.2 Å²	60.2	4%	0.036	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-84.9	125.9	171.9	-178.4	0	0	0	0	108.9	I223 K224 T225 N226 A253 A254 A257 L270	I223-V265 HydrophobicContact CD1-CB 4.2Å; I223-V265 HydrophobicContact CD1-CG1 4.47Å; I223-V265 HydrophobicContact CD1-CG2 3.88Å; K224-V265 PolarHBondContact O-N 3.39Å; T225-V265 WeakPolarHBondContact CA-O 3.14Å; T225-V265 HydrophobicContact CG2-CB 4.48Å; N226-V265 PolarHBondContact N-O 2.8Å; N226-V265 VanDerWaalsContact N-O 3.11Å; A253-V265 HydrophobicContact CB-CG1 3.83Å; A254-V265 HydrophobicContact CB-CG2 4.2Å; A257-V265 HydrophobicContact CB-CG2 3.87Å; V265-L270 HydrophobicContact CG1-CG 4.17Å
266	D	93.9	Very high	93.5	Very high	36 Å²	36	57.3 Å²	57.3	19%	0.193	29%	0.29	C	S	.	.			trans	-103.1	177.3	173	66.9	28.5	0	0	0	111.5	Q268 Y269 L270	D266-Q268 PolarHBondContact O-N 3.18Å; D266-Q268 WeakPolarHBondContact OD1-CA 3.43Å; D266-Q268 VanDerWaalsContact OD1-CB 3.29Å; D266-Q268 WeakPolarHBondContact OD1-CB 3.42Å; D266-Q268 PolarHBondContact OD1-N 3.13Å; D266-Y269 HydrophobicContact CB-CD2 4.46Å; D266-Y269 VanDerWaalsContact CG-CD2 3.48Å; D266-Y269 PolarHBondContact O-N 3.48Å; D266-Y269 WeakPolarHBondContact OD1-CD2 3.5Å; D266-Y269 PolarHBondContact OD1-N 2.85Å; D266-L270 PolarHBondContact O-N 3.38Å
267	M	92.6	Very high	93.2	Very high	38 Å²	38	56.2 Å²	56.2	19%	0.187	29%	0.288	C	S	.	.	H	α-helix	trans	-61.2	-31.4	178.9	-168.4	64.2	177.1	0	0	112.9	D230 T233 M234 Y269 L270 E271	D230-M267 HydrophobicContact CB-CE 4.36Å; T233-M267 HydrophobicContact CG2-CE 3.71Å; M234-M267 HydrophobicContact CG-CE 3.78Å; M234-M267 HydrophobicContact CG-SD 4.06Å; M234-M267 HydrophobicContact SD-CE 3.68Å; M234-M267 HydrophobicContact SD-SD 4.16Å; M267-Y269 VanDerWaalsContact C-N 3.34Å; M267-Y269 PolarHBondContact O-N 2.86Å; M267-L270 PolarHBondContact O-N 3.23Å; M267-E271 PolarHBondContact O-N 2.71Å
268	Q	91.2	Very high	92.5	Very high	126 Å²	126	60.4 Å²	60.4	59%	0.589	31%	0.31	S	S	*	.	H	α-helix	trans	-66.9	-38.2	-178.8	-55.8	-177.3	-2.7	0	0	111.1	D266 Y272	D266-Q268 PolarHBondContact O-N 3.18Å; D266-Q268 WeakPolarHBondContact OD1-CA 3.43Å; D266-Q268 VanDerWaalsContact OD1-CB 3.29Å; D266-Q268 WeakPolarHBondContact OD1-CB 3.42Å; D266-Q268 PolarHBondContact OD1-N 3.13Å; Q268-Y272 WeakPolarHBondContact O-CB 3.48Å; Q268-Y272 PolarHBondContact O-N 3.36Å
269	Y	94.6	Very high	91.7	Very high	19 Å²	19	60 Å²	60	8%	0.075	30%	0.298	C	S	.	.	H	α-helix	trans	-67.4	-39.4	175	-69.8	-63.3	0	0	0	112.9	A253 K256 A257 D260 K262 D266 M267 Y272 A273	A253-Y269 WeakPolarHBondContact CB-O 3.17Å; K256-Y269 HydrophobicContact CB-CD1 4.02Å; K256-Y269 HydrophobicContact CG-CD1 3.55Å; K256-Y269 HydrophobicContact CG-CE1 3.77Å; A257-Y269 HydrophobicContact CB-CD1 4.16Å; A257-Y269 HydrophobicContact CB-CD2 3.84Å; A257-Y269 HydrophobicContact CB-CE1 4.33Å; A257-Y269 HydrophobicContact CB-CE2 4.05Å; A257-Y269 HydrophobicContact CB-CG 3.92Å; D260-Y269 HydrophobicContact CB-CE1 4.35Å; D260-Y269 WeakPolarHBondContact CB-OH 3.5Å; D260-Y269 VanDerWaalsContact OD2-CE1 3.31Å; D260-Y269 WeakPolarHBondContact OD2-CE1 3.3Å; D260-Y269 PolarHBondContact OD2-OH 3.09Å; K262-Y269 HydrophobicContact CB-CE2 4.39Å; K262-Y269 WeakPolarHBondContact CE-OH 3.47Å; K262-Y269 HydrophobicContact CG-CE2 3.79Å; K262-Y269 WeakPolarHBondContact CG-OH 3.26Å; D266-Y269 HydrophobicContact CB-CD2 4.46Å; D266-Y269 VanDerWaalsContact CG-CD2 3.48Å; D266-Y269 PolarHBondContact O-N 3.48Å; D266-Y269 WeakPolarHBondContact OD1-CD2 3.5Å; D266-Y269 PolarHBondContact OD1-N 2.85Å; M267-Y269 VanDerWaalsContact C-N 3.34Å; M267-Y269 PolarHBondContact O-N 2.86Å; Y269-Y272 PolarHBondContact O-N 2.85Å; Y269-A273 VanDerWaalsContact O-CB 3.26Å; Y269-A273 WeakPolarHBondContact O-CB 3.35Å; Y269-A273 PolarHBondContact O-N 3.12Å
270	L	95.1	Very high	91.1	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-65.3	-44.3	174.8	-74.6	172.4	0	0	0	111.9	L220 I229 M234 V250 A253 V265 D266 M267 A273 K274	L220-L270 HydrophobicContact CD2-CD1 4.04Å; L220-L270 HydrophobicContact CD2-CD2 4.03Å; I229-L270 HydrophobicContact CD1-CD1 3.83Å; I229-L270 HydrophobicContact CG1-CD1 4.22Å; I229-L270 HydrophobicContact CG2-CD1 3.55Å; M234-L270 HydrophobicContact CE-CB 3.9Å; M234-L270 HydrophobicContact CG-CB 4.47Å; M234-L270 HydrophobicContact CG-CD1 4.41Å; M234-L270 HydrophobicContact SD-CB 3.94Å; V250-L270 HydrophobicContact CG2-CD2 4.43Å; A253-L270 HydrophobicContact CB-CD2 3.71Å; A253-L270 HydrophobicContact CB-CG 4.19Å; V265-L270 HydrophobicContact CG1-CG 4.17Å; D266-L270 PolarHBondContact O-N 3.38Å; M267-L270 PolarHBondContact O-N 3.23Å; L270-A273 PolarHBondContact O-N 3.05Å; L270-K274 WeakPolarHBondContact O-CB 3.39Å; L270-K274 PolarHBondContact O-N 3.32Å
271	E	90.6	Very high	90.3	Very high	45 Å²	45	57.1 Å²	57.1	21%	0.21	28%	0.279	C	S	.	.	H	α-helix	trans	-60.5	-46.4	174.3	-82	-163.9	-158.2	0	0	112.1	M267 A273 K274 D275 R318	M267-E271 PolarHBondContact O-N 2.71Å; E271-A273 VanDerWaalsContact C-N 3.31Å; E271-A273 PolarHBondContact O-N 2.8Å; E271-K274 PolarHBondContact O-N 3.29Å; E271-D275 PolarHBondContact O-N 2.67Å; E271-D275 VanDerWaalsContact O-N 3.11Å; E271-R318 WeakPolarHBondContact OE2-CD 3.33Å; E271-R318 IonicContact OE2-CZ 2.78Å; E271-R318 IonicContact OE2-NH1 3.99Å; E271-R318 PolarHBondContact OE2-NH1 2.93Å
272	Y	90	Very high	89.2	Confident	79 Å²	79	52 Å²	52	31%	0.31	26%	0.258	S	S	.	.	H	α-helix	trans	-56.7	-46.7	175.4	169.5	-95	0	0	0	111.5	K256 Q268 Y269 D275 L276	K256-Y272 HydrophobicContact CB-CD1 4.08Å; K256-Y272 HydrophobicContact CB-CE1 4.03Å; K256-Y272 HydrophobicContact CD-CD1 4.38Å; K256-Y272 HydrophobicContact CD-CE1 3.93Å; K256-Y272 HydrophobicContact CG-CD1 3.71Å; K256-Y272 HydrophobicContact CG-CE1 3.7Å; Q268-Y272 WeakPolarHBondContact O-CB 3.48Å; Q268-Y272 PolarHBondContact O-N 3.36Å; Y269-Y272 PolarHBondContact O-N 2.85Å; Y272-D275 PolarHBondContact O-N 2.85Å; Y272-L276 HydrophobicContact CE1-CD2 4.19Å; Y272-L276 WeakPolarHBondContact O-CB 3.4Å; Y272-L276 PolarHBondContact O-N 3.48Å
273	A	94.3	Very high	88.2	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-66.8	-42	-178.8	0	0	0	0	0	112.7	V249 Q252 A253 Y269 L270 E271 D275 L276 V277	V249-A273 HydrophobicContact CG1-CB 4.11Å; V249-A273 WeakPolarHBondContact O-CB 3.3Å; Q252-A273 HydrophobicContact CB-CB 3.75Å; A253-A273 HydrophobicContact CB-CB 3.78Å; Y269-A273 VanDerWaalsContact O-CB 3.26Å; Y269-A273 WeakPolarHBondContact O-CB 3.35Å; Y269-A273 PolarHBondContact O-N 3.12Å; L270-A273 PolarHBondContact O-N 3.05Å; E271-A273 VanDerWaalsContact C-N 3.31Å; E271-A273 PolarHBondContact O-N 2.8Å; A273-D275 VanDerWaalsContact C-N 3.26Å; A273-D275 PolarHBondContact O-N 3.12Å; A273-L276 WeakPolarHBondContact O-CB 3.3Å; A273-L276 PolarHBondContact O-N 3.04Å; A273-L276 VanDerWaalsContact O-N 3.16Å; A273-V277 WeakPolarHBondContact O-CG2 3.21Å; A273-V277 PolarHBondContact O-N 3.26Å
274	K	91.5	Very high	86.9	Confident	6 Å²	6	51.4 Å²	51.4	3%	0.026	26%	0.256	C	S	.	.	H	α-helix	trans	-53.2	-48.2	172.1	175.1	-169.3	70.4	-177	0	110.6	M234 T238 V249 L270 E271 L276 V277 L278 H317	M234-K274 HydrophobicContact CE-CB 3.89Å; M234-K274 HydrophobicContact CE-CD 4.22Å; M234-K274 HydrophobicContact CE-CG 4.47Å; T238-K274 HydrophobicContact CG2-CD 4.25Å; T238-K274 HydrophobicContact CG2-CG 4.08Å; V249-K274 HydrophobicContact CG1-CB 4.25Å; L270-K274 WeakPolarHBondContact O-CB 3.39Å; L270-K274 PolarHBondContact O-N 3.32Å; E271-K274 PolarHBondContact O-N 3.29Å; K274-L276 VanDerWaalsContact C-N 3.33Å; K274-L276 PolarHBondContact O-N 3.26Å; K274-V277 PolarHBondContact O-N 3.33Å; K274-L278 VanDerWaalsContact O-CB 3.3Å; K274-L278 WeakPolarHBondContact O-CB 3.41Å; K274-L278 PolarHBondContact O-N 3.11Å; K274-H317 PolarHBondContact NZ-NE2 2.9Å
275	D	86	Confident	85.3	Confident	6 Å²	6	54.7 Å²	54.7	3%	0.032	28%	0.275	C	S	.	.	H	α-helix	trans	-69.6	-35.1	-179.2	-52.4	-30	0	0	0	112.8	E271 Y272 A273 V277 L278 M279 R318 R324	E271-D275 PolarHBondContact O-N 2.67Å; E271-D275 VanDerWaalsContact O-N 3.11Å; Y272-D275 PolarHBondContact O-N 2.85Å; A273-D275 VanDerWaalsContact C-N 3.26Å; A273-D275 PolarHBondContact O-N 3.12Å; D275-V277 VanDerWaalsContact C-N 3.3Å; D275-L278 PolarHBondContact O-N 3.44Å; D275-M279 WeakPolarHBondContact O-CA 3.35Å; D275-M279 WeakPolarHBondContact O-CB 3.35Å; D275-M279 PolarHBondContact O-N 3.03Å; D275-R318 IonicContact OD1-CZ 2.65Å; D275-R318 IonicContact OD1-NH1 3.91Å; D275-R318 IonicContact OD1-NH2 3.82Å; D275-R318 PolarHBondContact OD1-NH2 2.99Å; D275-R318 IonicContact OD2-CZ 3.45Å; D275-R318 IonicContact OD2-NH1 3.08Å; D275-R318 PolarHBondContact OD2-NH1 2.98Å; D275-R318 IonicContact OD2-NH2 2.84Å; D275-R318 PolarHBondContact OD2-NH2 3.43Å; D275-R324 VanDerWaalsContact C-NH1 3.35Å; D275-R324 PolarHBondContact O-NH1 3.26Å; D275-R324 IonicContact OD2-NH2 3.32Å; D275-R324 PolarHBondContact OD2-NH2 3.15Å; D275-R324 VanDerWaalsContact OD2-NH2 3.12Å
276	L	88.8	Confident	83.6	Confident	33 Å²	33	58.7 Å²	58.7	17%	0.173	29%	0.289	C	S	.	.	H	α-helix	trans	-60.7	-42.7	174.7	177.3	64.9	0	0	0	110.7	Q252 Y272 A273 K274 G280 P281	Q252-L276 HydrophobicContact CB-CD2 4.14Å; Q252-L276 HydrophobicContact CG-CD2 4.02Å; Y272-L276 HydrophobicContact CE1-CD2 4.19Å; Y272-L276 WeakPolarHBondContact O-CB 3.4Å; Y272-L276 PolarHBondContact O-N 3.48Å; A273-L276 WeakPolarHBondContact O-CB 3.3Å; A273-L276 PolarHBondContact O-N 3.04Å; A273-L276 VanDerWaalsContact O-N 3.16Å; K274-L276 VanDerWaalsContact C-N 3.33Å; K274-L276 PolarHBondContact O-N 3.26Å; L276-G280 WeakPolarHBondContact O-CA 3.49Å; L276-G280 PolarHBondContact O-N 3.44Å; L276-P281 HydrophobicContact CD1-CB 3.84Å
277	V	89.2	Confident	82.1	Confident	39 Å²	39	62.7 Å²	62.7	24%	0.236	32%	0.315	C	S	.	.	H	α-helix	trans	-69.7	-43.7	176.7	174.6	0	0	0	0	111.1	F241 N248 V249 Q252 A273 K274 D275	F241-V277 HydrophobicContact CE1-CB 4.39Å; F241-V277 HydrophobicContact CE1-CG1 3.8Å; F241-V277 HydrophobicContact CZ-CG1 4.28Å; N248-V277 HydrophobicContact CB-CG2 4.48Å; V249-V277 HydrophobicContact CG2-CB 3.95Å; V249-V277 HydrophobicContact CG2-CG1 4.3Å; V249-V277 HydrophobicContact CG2-CG2 3.72Å; Q252-V277 HydrophobicContact CG-CG2 4.49Å; A273-V277 WeakPolarHBondContact O-CG2 3.21Å; A273-V277 PolarHBondContact O-N 3.26Å; K274-V277 PolarHBondContact O-N 3.33Å; D275-V277 VanDerWaalsContact C-N 3.3Å
278	L	83	Confident	80.9	Confident	91 Å²	91	66 Å²	66	48%	0.476	34%	0.339	S	S	.	.	H	α-helix	trans	-71.4	-33.9	-176.9	-173.3	61.1	0	0	0	113.4	F241 K274 D275	F241-L278 HydrophobicContact CE2-CD1 4.07Å; F241-L278 HydrophobicContact CZ-CB 4.31Å; F241-L278 HydrophobicContact CZ-CD1 4.27Å; K274-L278 VanDerWaalsContact O-CB 3.3Å; K274-L278 WeakPolarHBondContact O-CB 3.41Å; K274-L278 PolarHBondContact O-N 3.11Å; D275-L278 PolarHBondContact O-N 3.44Å
279	M	79.1	Confident	80.4	Confident	55 Å²	55	63.8 Å²	63.8	27%	0.271	33%	0.331	S	S	.	.	H	α-helix	trans	-133.8	-8.8	-165.5	-52.8	-170.9	178.9	0	0	114.6	D275 L330	D275-M279 WeakPolarHBondContact O-CA 3.35Å; D275-M279 WeakPolarHBondContact O-CB 3.35Å; D275-M279 PolarHBondContact O-N 3.03Å; M279-L330 HydrophobicContact CE-CD1 3.62Å; M279-L330 HydrophobicContact CE-CD2 3.1Å; M279-L330 HydrophobicContact CE-CG 3.92Å; M279-L330 HydrophobicContact SD-CD1 4.18Å; M279-L330 HydrophobicContact SD-CD2 3.5Å; M279-L330 WeakPolarHBondContact SD-CD2 3.5Å; M279-L330 HydrophobicContact SD-CG 4.29Å
280	G	82.4	Confident	79.9	Confident	12 Å²	12	70.9 Å²	70.9	12%	0.124	37%	0.365	C	S	.	.			trans	80.3	-178.5	-171.3	0	0	0	0	0	113.8	L276 R324	L276-G280 WeakPolarHBondContact O-CA 3.49Å; L276-G280 PolarHBondContact O-N 3.44Å; G280-R324 PolarHBondContact O-NH1 3.43Å; G280-R324 VanDerWaalsContact O-NH1 3.09Å
281	P	79.3	Confident	79.4	Confident	60 Å²	60	74 Å²	74	39%	0.39	39%	0.39	S	S	.	.			trans	-71.6	147.9	-170.9	28.4	-35.2	0	0	0	112.4	L276	L276-P281 HydrophobicContact CD1-CB 3.84Å
282	A	71.3	Confident	79.1	Confident	40 Å²	40	72.7 Å²	72.7	33%	0.331	39%	0.388	S	S	.	.	B	Isolated β-bridge	trans	-64.5	142	170.3	0	0	0	0	0	111.3	K284	A282-K284 PolarHBondContact O-N 2.9Å
283	L	73.9	Confident	79	Confident	84 Å²	84	70.9 Å²	70.9	44%	0.44	38%	0.384	S	S	.	.			trans	-77.8	112	179.7	-67.3	174.3	0	0	0	110.2	P323	L283-P323 PolarHBondContact N-O 3.3Å
284	K	66.8	Low	78.9	Confident	191 Å²	191	77.3 Å²	77.3	83%	0.83	41%	0.408	S	S	*	.	S	Bend	trans	-80.3	-23.7	-177.7	-66.4	-175.6	179.4	-179.9	0	115.1	A282	A282-K284 PolarHBondContact O-N 2.9Å
285	H	61	Low	78.9	Confident	182 Å²	182	78.4 Å²	78.4	84%	0.843	42%	0.415	S	S	*	.			trans	-111.6	19.2	-167.9	-63.5	-59.9	0	0	0	114.2	V287	H285-V287 PolarHBondContact O-N 2.93Å
286	R	61.1	Low	79.2	Confident	90 Å²	90	78.7 Å²	78.7	34%	0.34	42%	0.417	S	S	.	.			trans	-74.5	126.9	173.6	-164.8	179.1	-179	-155.1	2.6	108.7	P288	R286-P288 WeakPolarHBondContact O-CD 3.45Å
287	V	62.7	Low	79.4	Confident	121 Å²	121	77.1 Å²	77.1	73%	0.733	41%	0.408	S	S	*	.			trans	-59.6	123.2	167.9	179.4	0	0	0	0	107.1	H285 D289	H285-V287 PolarHBondContact O-N 2.93Å; V287-D289 PolarHBondContact O-N 2.89Å
288	P	66	Low	79.6	Confident	106 Å²	106	76.1 Å²	76.1	69%	0.688	40%	0.401	S	S	*	.			trans	-59.9	113.4	177	-20.6	31.6	0	0	0	109.3	R286	R286-P288 WeakPolarHBondContact O-CD 3.45Å
289	D	81.1	Confident	80.2	Confident	81 Å²	81	72.2 Å²	72.2	43%	0.433	38%	0.38	S	S	.	.			trans	-101.1	104.7	169.2	177.1	-3.6	0	0	0	107.2	V287 A291 A292 N293	V287-D289 PolarHBondContact O-N 2.89Å; D289-A291 PolarHBondContact O-N 3.02Å; D289-A291 WeakPolarHBondContact OD1-CB 3.5Å; D289-A291 PolarHBondContact OD1-N 3.25Å; D289-A292 HydrophobicContact CB-CB 3.84Å; D289-A292 PolarHBondContact O-N 2.89Å; D289-A292 PolarHBondContact OD1-N 3.04Å; D289-A292 WeakPolarHBondContact OD2-CB 3.42Å; D289-N293 WeakPolarHBondContact O-CB 3.49Å; D289-N293 VanDerWaalsContact O-CG 3.32Å; D289-N293 PolarHBondContact O-N 3.32Å
290	E	83.8	Confident	81	Confident	168 Å²	168	70.1 Å²	70.1	79%	0.785	37%	0.37	S	S	*	.	H	α-helix	trans	-58.1	-35.9	-179.5	-67.3	-176.3	175.2	0	0	112.1	R294	E290-R294 VanDerWaalsContact O-CB 3.27Å; E290-R294 WeakPolarHBondContact O-CB 3.15Å; E290-R294 PolarHBondContact O-N 3.11Å
291	A	85.5	Confident	81.6	Confident	64 Å²	64	69.6 Å²	69.6	53%	0.529	36%	0.364	S	S	.	.	H	α-helix	trans	-69.6	-45.9	179.4	0	0	0	0	0	110.5	D289 R294 V295	D289-A291 PolarHBondContact O-N 3.02Å; D289-A291 WeakPolarHBondContact OD1-CB 3.5Å; D289-A291 PolarHBondContact OD1-N 3.25Å; A291-R294 PolarHBondContact O-N 3.24Å; A291-V295 WeakPolarHBondContact O-CG2 3.45Å; A291-V295 PolarHBondContact O-N 3.43Å
292	A	84.9	Confident	82.4	Confident	19 Å²	19	66.7 Å²	66.7	16%	0.157	35%	0.345	C	S	.	.	H	α-helix	trans	-63.4	-44.9	176.1	0	0	0	0	0	112.1	D289 R294 V295 T296	D289-A292 HydrophobicContact CB-CB 3.84Å; D289-A292 PolarHBondContact O-N 2.89Å; D289-A292 PolarHBondContact OD1-N 3.04Å; D289-A292 WeakPolarHBondContact OD2-CB 3.42Å; A292-R294 VanDerWaalsContact C-N 3.26Å; A292-R294 PolarHBondContact O-N 2.76Å; A292-V295 PolarHBondContact O-N 2.88Å; A292-T296 PolarHBondContact O-N 3.36Å; A292-T296 PolarHBondContact O-OG1 3.31Å
293	N	88.2	Confident	83.6	Confident	41 Å²	41	65.2 Å²	65.2	22%	0.219	33%	0.331	C	S	.	.	H	α-helix	trans	-61.4	-37.4	177.9	-73.8	-6.3	0	0	0	111.6	D289 T296 A297 L441	D289-N293 WeakPolarHBondContact O-CB 3.49Å; D289-N293 VanDerWaalsContact O-CG 3.32Å; D289-N293 PolarHBondContact O-N 3.32Å; N293-T296 PolarHBondContact O-N 3.22Å; N293-A297 WeakPolarHBondContact O-CB 3.46Å; N293-A297 PolarHBondContact O-N 2.61Å; N293-L441 HydrophobicContact CB-CD2 4.3Å
294	R	91.1	Very high	84.6	Confident	135 Å²	135	61.3 Å²	61.3	51%	0.509	31%	0.311	S	S	.	.	H	α-helix	trans	-63.4	-47.1	173.7	180	176.2	168.5	147.5	-0.4	111.9	E290 A291 A292 T296 A297 Y298 L441	E290-R294 VanDerWaalsContact O-CB 3.27Å; E290-R294 WeakPolarHBondContact O-CB 3.15Å; E290-R294 PolarHBondContact O-N 3.11Å; A291-R294 PolarHBondContact O-N 3.24Å; A292-R294 VanDerWaalsContact C-N 3.26Å; A292-R294 PolarHBondContact O-N 2.76Å; R294-T296 VanDerWaalsContact C-N 3.33Å; R294-T296 PolarHBondContact O-N 2.82Å; R294-A297 PolarHBondContact O-N 3.34Å; R294-Y298 HydrophobicContact CG-CD2 3.93Å; R294-Y298 HydrophobicContact CG-CE2 3.87Å; R294-Y298 VanDerWaalsContact O-CD2 3.29Å; R294-Y298 WeakPolarHBondContact O-CD2 3.37Å; R294-Y298 PolarHBondContact O-N 2.96Å; R294-Y298 VanDerWaalsContact O-N 3.09Å; R294-L441 HydrophobicContact CB-CD1 4.47Å; R294-L441 HydrophobicContact CG-CD1 4.41Å
295	V	91.6	Very high	86	Confident	28 Å²	28	52.3 Å²	52.3	17%	0.17	27%	0.272	C	S	.	.	H	α-helix	trans	-58.3	-48.2	176.7	174.9	0	0	0	0	110.2	A291 A292 A297 Y298 H299 E361	A291-V295 WeakPolarHBondContact O-CG2 3.45Å; A291-V295 PolarHBondContact O-N 3.43Å; A292-V295 PolarHBondContact O-N 2.88Å; V295-A297 PolarHBondContact O-N 3.23Å; V295-Y298 PolarHBondContact O-N 3.37Å; V295-H299 WeakPolarHBondContact O-CB 3.42Å; V295-H299 PolarHBondContact O-N 3.21Å; V295-E361 HydrophobicContact CG1-CG 3.97Å
296	T	91.4	Very high	87.7	Confident	12 Å²	12	43.6 Å²	43.6	7%	0.074	23%	0.232	C	C	.	.	H	α-helix	trans	-59.6	-43.4	176.3	-58.2	0	0	0	0	112.3	A292 N293 R294 Y298 H299 E300 I321 L328	A292-T296 PolarHBondContact O-N 3.36Å; A292-T296 PolarHBondContact O-OG1 3.31Å; N293-T296 PolarHBondContact O-N 3.22Å; R294-T296 VanDerWaalsContact C-N 3.33Å; R294-T296 PolarHBondContact O-N 2.82Å; T296-Y298 VanDerWaalsContact C-N 3.33Å; T296-Y298 PolarHBondContact O-N 3.28Å; T296-H299 WeakPolarHBondContact O-CB 3.4Å; T296-H299 PolarHBondContact O-N 2.88Å; T296-E300 HydrophobicContact CG2-CG 4.15Å; T296-E300 WeakPolarHBondContact O-CG 3.38Å; T296-E300 PolarHBondContact O-N 3.26Å; T296-I321 HydrophobicContact CG2-CB 4.27Å; T296-I321 HydrophobicContact CG2-CG2 4.16Å; T296-L328 HydrophobicContact CG2-CB 4Å; T296-L328 WeakPolarHBondContact CG2-O 3.35Å
297	A	92.9	Very high	89.4	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.7	-41.8	178.1	0	0	0	0	0	112.5	N293 R294 V295 A301 I321 A437 L440 L441	N293-A297 WeakPolarHBondContact O-CB 3.46Å; N293-A297 PolarHBondContact O-N 2.61Å; R294-A297 PolarHBondContact O-N 3.34Å; V295-A297 PolarHBondContact O-N 3.23Å; A297-A301 WeakPolarHBondContact O-CB 3.39Å; A297-A301 PolarHBondContact O-N 2.84Å; A297-I321 HydrophobicContact CB-CG2 4.06Å; A297-A437 HydrophobicContact CB-CB 4.43Å; A297-L440 HydrophobicContact CB-CB 4.17Å; A297-L441 HydrophobicContact CB-CD1 4.39Å; A297-L441 HydrophobicContact CB-CD2 3.91Å; A297-L441 HydrophobicContact CB-CG 3.75Å
298	Y	94.9	Very high	90.9	Very high	18 Å²	18	38 Å²	38	7%	0.071	20%	0.201	C	C	.	.	H	α-helix	trans	-69.6	-36.8	174.8	-81.7	-75.1	0	0	0	112.7	R294 V295 T296 G302 A360 V364 H433 A437	R294-Y298 HydrophobicContact CG-CD2 3.93Å; R294-Y298 HydrophobicContact CG-CE2 3.87Å; R294-Y298 VanDerWaalsContact O-CD2 3.29Å; R294-Y298 WeakPolarHBondContact O-CD2 3.37Å; R294-Y298 PolarHBondContact O-N 2.96Å; R294-Y298 VanDerWaalsContact O-N 3.09Å; V295-Y298 PolarHBondContact O-N 3.37Å; T296-Y298 VanDerWaalsContact C-N 3.33Å; T296-Y298 PolarHBondContact O-N 3.28Å; Y298-G302 PolarHBondContact O-N 3.22Å; Y298-A360 VanDerWaalsContact O-CB 3.28Å; Y298-A360 WeakPolarHBondContact O-CB 3.41Å; Y298-V364 HydrophobicContact CD1-CB 4.2Å; Y298-V364 HydrophobicContact CD1-CG1 3.85Å; Y298-V364 HydrophobicContact CD1-CG2 3.71Å; Y298-V364 HydrophobicContact CD2-CG1 3.85Å; Y298-V364 HydrophobicContact CE1-CG1 3.82Å; Y298-V364 HydrophobicContact CE1-CG2 4.01Å; Y298-V364 HydrophobicContact CE2-CG1 3.85Å; Y298-V364 HydrophobicContact CG-CB 4.28Å; Y298-V364 HydrophobicContact CG-CG1 3.85Å; Y298-V364 HydrophobicContact CG-CG2 4.25Å; Y298-H433 AromaticContact CD1-CE1 3.72Å; Y298-H433 AromaticContact CD1-NE2 3.83Å; Y298-H433 PolarHBondContact O-NE2 3.2Å; Y298-A437 HydrophobicContact CD1-CB 3.6Å; Y298-A437 HydrophobicContact CD2-CB 4.2Å; Y298-A437 HydrophobicContact CE1-CB 3.67Å; Y298-A437 HydrophobicContact CE2-CB 4.23Å; Y298-A437 HydrophobicContact CG-CB 3.9Å
299	H	95.1	Very high	92.3	Very high	9 Å²	9	36.9 Å²	36.9	4%	0.042	19%	0.185	C	C	.	.	H	α-helix	trans	-59.8	-54	175.5	-175.3	114.7	0	0	0	111.2	V295 T296 G302 H303 E361 D377	V295-H299 WeakPolarHBondContact O-CB 3.42Å; V295-H299 PolarHBondContact O-N 3.21Å; T296-H299 WeakPolarHBondContact O-CB 3.4Å; T296-H299 PolarHBondContact O-N 2.88Å; H299-G302 VanDerWaalsContact O-CA 3.32Å; H299-G302 WeakPolarHBondContact O-CA 3.32Å; H299-G302 PolarHBondContact O-N 3Å; H299-H303 AromaticContact CD2-CD2 3.52Å; H299-H303 AromaticContact CD2-NE2 3.44Å; H299-H303 PolarHBondContact CD2-NE2 2.92Å; H299-H303 AromaticContact NE2-CD2 3.71Å; H299-H303 AromaticContact NE2-NE2 3.1Å; H299-H303 PolarHBondContact NE2-NE2 3.23Å; H299-H303 VanDerWaalsContact NE2-NE2 3.1Å; H299-H303 PolarHBondContact O-N 3.31Å; H299-E361 HydrophobicContact CB-CG 4.28Å; H299-E361 IonicContact CE1-OE1 3.96Å; H299-E361 IonicContact CG-OE1 3.56Å; H299-E361 IonicContact ND1-OE1 3.71Å; H299-E361 PolarHBondContact ND1-OE1 3.11Å; H299-D377 IonicContact CE1-OD2 2.93Å; H299-D377 IonicContact NE2-OD2 3.74Å
300	E	95	Very high	93	Very high	12 Å²	12	33.9 Å²	33.9	6%	0.056	17%	0.17	C	C	.	.	H	α-helix	trans	-68.6	-39.4	-179.7	-63.1	-53.7	155	0	0	112.6	T296 G302 H303 A304 V319 G329 L330 T331 L440	T296-E300 HydrophobicContact CG2-CG 4.15Å; T296-E300 WeakPolarHBondContact O-CG 3.38Å; T296-E300 PolarHBondContact O-N 3.26Å; E300-G302 PolarHBondContact O-N 3.39Å; E300-H303 PolarHBondContact O-N 3.19Å; E300-H303 IonicContact OE2-CD2 3.6Å; E300-A304 WeakPolarHBondContact O-CB 3.47Å; E300-A304 PolarHBondContact O-N 3.45Å; E300-V319 HydrophobicContact CB-CG1 3.65Å; E300-G329 WeakPolarHBondContact OE1-CA 3.32Å; E300-L330 VanDerWaalsContact CD-N 3.28Å; E300-L330 PolarHBondContact OE1-N 2.88Å; E300-L330 WeakPolarHBondContact OE2-CA 3.16Å; E300-T331 PolarHBondContact O-OG1 3.1Å; E300-T331 PolarHBondContact OE2-N 3.39Å; E300-T331 PolarHBondContact OE2-OG1 3.46Å; E300-L440 HydrophobicContact CB-CD1 4.27Å
301	A	95.4	Very high	93.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-59.1	-31.2	170.1	0	0	0	0	0	111.5	A297 L305 V436 A437 L440	A297-A301 WeakPolarHBondContact O-CB 3.39Å; A297-A301 PolarHBondContact O-N 2.84Å; A301-L305 VanDerWaalsContact O-CB 3.23Å; A301-L305 WeakPolarHBondContact O-CB 3.45Å; A301-L305 PolarHBondContact O-N 3.36Å; A301-V436 HydrophobicContact CB-CB 4.02Å; A301-V436 HydrophobicContact CB-CG1 3.65Å; A301-A437 HydrophobicContact CB-CB 4.04Å; A301-L440 HydrophobicContact CB-CD1 4.2Å
302	G	96.7	Very high	93.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.6	-55.9	174	0	0	0	0	0	112.1	Y298 H299 E300 A304 L305 V306 A356	Y298-G302 PolarHBondContact O-N 3.22Å; H299-G302 VanDerWaalsContact O-CA 3.32Å; H299-G302 WeakPolarHBondContact O-CA 3.32Å; H299-G302 PolarHBondContact O-N 3Å; E300-G302 PolarHBondContact O-N 3.39Å; G302-A304 VanDerWaalsContact C-N 3.32Å; G302-A304 PolarHBondContact O-N 2.59Å; G302-L305 PolarHBondContact O-N 2.78Å; G302-V306 WeakPolarHBondContact O-CG2 3.15Å; G302-V306 PolarHBondContact O-N 3.36Å; G302-A356 WeakPolarHBondContact O-CB 3.48Å
303	H	96.5	Very high	94	Very high	9 Å²	9	34.9 Å²	34.9	4%	0.042	16%	0.161	C	C	.	.	H	α-helix	trans	-54.1	-48.7	175	-72.2	-61.5	0	0	0	112.2	H299 E300 L305 S307 T331 V353 G357 D377	H299-H303 AromaticContact CD2-CD2 3.52Å; H299-H303 AromaticContact CD2-NE2 3.44Å; H299-H303 PolarHBondContact CD2-NE2 2.92Å; H299-H303 AromaticContact NE2-CD2 3.71Å; H299-H303 AromaticContact NE2-NE2 3.1Å; H299-H303 PolarHBondContact NE2-NE2 3.23Å; H299-H303 VanDerWaalsContact NE2-NE2 3.1Å; H299-H303 PolarHBondContact O-N 3.31Å; E300-H303 PolarHBondContact O-N 3.19Å; E300-H303 IonicContact OE2-CD2 3.6Å; H303-L305 PolarHBondContact O-N 3.16Å; H303-S307 VanDerWaalsContact O-CB 3.31Å; H303-S307 WeakPolarHBondContact O-CB 3.44Å; H303-S307 PolarHBondContact O-N 2.93Å; H303-T331 HydrophobicContact CB-CG2 4.03Å; H303-T331 WeakPolarHBondContact CB-OG1 3.48Å; H303-V353 PolarHBondContact CE1-O 3.35Å; H303-V353 VanDerWaalsContact CE1-O 3.27Å; H303-V353 PolarHBondContact ND1-O 3.41Å; H303-G357 PolarHBondContact CE1-N 2.86Å; H303-D377 IonicContact NE2-OD2 2.71Å
304	A	95.6	Very high	94.1	Very high	2 Å²	2	35 Å²	35	2%	0.017	16%	0.16	C	C	.	.	H	α-helix	trans	-61.5	-45.3	-177.8	0	0	0	0	0	112.3	E300 G302 F308 V316 V319 T331 L451	E300-A304 WeakPolarHBondContact O-CB 3.47Å; E300-A304 PolarHBondContact O-N 3.45Å; G302-A304 VanDerWaalsContact C-N 3.32Å; G302-A304 PolarHBondContact O-N 2.59Å; A304-F308 WeakPolarHBondContact O-CB 3.38Å; A304-F308 PolarHBondContact O-N 2.65Å; A304-V316 HydrophobicContact CB-CG1 4.45Å; A304-V316 HydrophobicContact CB-CG2 4.22Å; A304-V319 HydrophobicContact CB-CG2 3.66Å; A304-T331 HydrophobicContact CB-CG2 4.44Å; A304-L451 HydrophobicContact CB-CD1 4.47Å; A304-L451 HydrophobicContact CB-CD2 4.27Å
305	L	95.9	Very high	94	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-71.8	-41.8	-176.8	-158.7	69	0	0	0	112.1	A301 G302 H303 S307 F308 F309 L426 N429 A432 H433 I455	A301-L305 VanDerWaalsContact O-CB 3.23Å; A301-L305 WeakPolarHBondContact O-CB 3.45Å; A301-L305 PolarHBondContact O-N 3.36Å; G302-L305 PolarHBondContact O-N 2.78Å; H303-L305 PolarHBondContact O-N 3.16Å; L305-S307 VanDerWaalsContact C-N 3.35Å; L305-F308 PolarHBondContact O-N 3.02Å; L305-F309 HydrophobicContact CD1-CD2 4.09Å; L305-F309 HydrophobicContact CD1-CE2 3.52Å; L305-F309 HydrophobicContact CD2-CE2 4.44Å; L305-F309 HydrophobicContact CG-CD2 3.85Å; L305-F309 HydrophobicContact CG-CE2 3.71Å; L305-F309 VanDerWaalsContact O-CD2 3.25Å; L305-F309 WeakPolarHBondContact O-CD2 3.48Å; L305-F309 PolarHBondContact O-N 2.89Å; L305-F309 VanDerWaalsContact O-N 3.09Å; L305-L426 HydrophobicContact CB-CD2 4.14Å; L305-L426 HydrophobicContact CD2-CD2 3.97Å; L305-N429 HydrophobicContact CD2-CB 3.71Å; L305-N429 HydrophobicContact CG-CB 4.4Å; L305-A432 HydrophobicContact CD1-CB 3.94Å; L305-A432 HydrophobicContact CD2-CB 4.39Å; L305-H433 HydrophobicContact CD2-CB 3.67Å; L305-I455 HydrophobicContact CD1-CD1 3.89Å; L305-I455 HydrophobicContact CD1-CG1 3.83Å; L305-I455 HydrophobicContact CD1-CG2 4.38Å
306	V	97.2	Very high	94	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.4	-43.1	176.6	173.1	0	0	0	0	110.2	G302 F308 F309 T310 D352 V353 A356 A422 I425 L426	G302-V306 WeakPolarHBondContact O-CG2 3.15Å; G302-V306 PolarHBondContact O-N 3.36Å; V306-F308 PolarHBondContact O-N 2.84Å; V306-F309 PolarHBondContact O-N 2.75Å; V306-T310 WeakPolarHBondContact O-CB 3.32Å; V306-T310 PolarHBondContact O-N 2.8Å; V306-T310 PolarHBondContact O-OG1 3.36Å; V306-D352 HydrophobicContact CG1-CB 4.27Å; V306-V353 HydrophobicContact CG1-CG2 4.24Å; V306-A356 HydrophobicContact CB-CB 3.63Å; V306-A356 HydrophobicContact CG1-CB 4.13Å; V306-A356 HydrophobicContact CG2-CB 3.5Å; V306-A356 VanDerWaalsContact CG2-CB 3.5Å; V306-A422 HydrophobicContact CG1-CB 4.4Å; V306-A422 HydrophobicContact CG2-CB 4.13Å; V306-I425 HydrophobicContact CG1-CD1 4.29Å; V306-I425 HydrophobicContact CG2-CB 4.41Å; V306-I425 HydrophobicContact CG2-CG2 4.2Å; V306-L426 HydrophobicContact CG2-CD1 4.41Å; V306-L426 HydrophobicContact CG2-CD2 3.94Å; V306-L426 HydrophobicContact CG2-CG 3.91Å
307	S	95.8	Very high	93.7	Very high	5 Å²	5	31.7 Å²	31.7	4%	0.035	15%	0.154	C	C	.	.	H	α-helix	trans	-57.9	-46.1	172.8	161.2	0	0	0	0	112.1	H303 L305 F309 T310 A313 H314 V316	H303-S307 VanDerWaalsContact O-CB 3.31Å; H303-S307 WeakPolarHBondContact O-CB 3.44Å; H303-S307 PolarHBondContact O-N 2.93Å; L305-S307 VanDerWaalsContact C-N 3.35Å; S307-F309 VanDerWaalsContact C-N 3.35Å; S307-F309 PolarHBondContact O-N 2.93Å; S307-T310 PolarHBondContact O-N 2.82Å; S307-A313 WeakPolarHBondContact O-CB 3.46Å; S307-H314 PolarHBondContact OG-O 2.96Å; S307-V316 VanDerWaalsContact OG-CG2 3.3Å; S307-V316 WeakPolarHBondContact OG-CG2 3.25Å
308	F	94.4	Very high	93.5	Very high	88 Å²	88	32.3 Å²	32.3	39%	0.386	16%	0.157	S	C	.	.	H	α-helix	trans	-60.6	-39.5	-179.6	-171.6	-89.6	0	0	0	113.4	A304 L305 V306 K452 I455	A304-F308 WeakPolarHBondContact O-CB 3.38Å; A304-F308 PolarHBondContact O-N 2.65Å; L305-F308 PolarHBondContact O-N 3.02Å; V306-F308 PolarHBondContact O-N 2.84Å; F308-K452 HydrophobicContact CE2-CB 4.46Å; F308-K452 HydrophobicContact CE2-CG 4.32Å; F308-I455 HydrophobicContact CB-CD1 4.09Å; F308-I455 HydrophobicContact CD1-CD1 4.13Å; F308-I455 HydrophobicContact CD1-CG2 4.01Å; F308-I455 HydrophobicContact CD2-CD1 3.86Å; F308-I455 HydrophobicContact CE1-CG2 3.77Å; F308-I455 HydrophobicContact CE2-CD1 4.31Å; F308-I455 HydrophobicContact CG-CD1 3.76Å; F308-I455 HydrophobicContact CZ-CG2 4.26Å
309	F	95.1	Very high	93.3	Very high	82 Å²	82	31.5 Å²	31.5	36%	0.36	15%	0.153	S	C	.	.	H	α-helix	trans	-93.4	-12.5	-177.9	-70.8	-64.2	0	0	0	114.6	L305 V306 S307 I425 N429 I455	L305-F309 HydrophobicContact CD1-CD2 4.09Å; L305-F309 HydrophobicContact CD1-CE2 3.52Å; L305-F309 HydrophobicContact CD2-CE2 4.44Å; L305-F309 HydrophobicContact CG-CD2 3.85Å; L305-F309 HydrophobicContact CG-CE2 3.71Å; L305-F309 VanDerWaalsContact O-CD2 3.25Å; L305-F309 WeakPolarHBondContact O-CD2 3.48Å; L305-F309 PolarHBondContact O-N 2.89Å; L305-F309 VanDerWaalsContact O-N 3.09Å; V306-F309 PolarHBondContact O-N 2.75Å; S307-F309 VanDerWaalsContact C-N 3.35Å; S307-F309 PolarHBondContact O-N 2.93Å; F309-I425 HydrophobicContact CB-CG2 3.79Å; F309-I425 HydrophobicContact CD2-CG2 4.03Å; F309-I425 HydrophobicContact CG-CG2 4.29Å; F309-N429 HydrophobicContact CD2-CB 4.42Å; F309-N429 HydrophobicContact CE2-CB 3.81Å; F309-N429 WeakPolarHBondContact CE2-OD1 3.46Å; F309-N429 HydrophobicContact CZ-CB 4.42Å; F309-N429 VanDerWaalsContact CZ-OD1 3.23Å; F309-N429 WeakPolarHBondContact CZ-OD1 3.27Å; F309-I455 HydrophobicContact CE2-CG2 4.33Å; F309-I455 HydrophobicContact CZ-CG2 3.93Å
310	T	95.1	Very high	92.9	Very high	18 Å²	18	31.2 Å²	31.2	11%	0.11	15%	0.153	C	C	.	.	S	Bend	trans	-87.1	117.8	-178.9	-58.5	0	0	0	0	109.9	V306 S307 H312 A313 A349 D352 I425	V306-T310 WeakPolarHBondContact O-CB 3.32Å; V306-T310 PolarHBondContact O-N 2.8Å; V306-T310 PolarHBondContact O-OG1 3.36Å; S307-T310 PolarHBondContact O-N 2.82Å; T310-H312 PolarHBondContact O-N 2.83Å; T310-A313 HydrophobicContact CG2-CB 4.35Å; T310-A313 VanDerWaalsContact O-CB 3.31Å; T310-A313 WeakPolarHBondContact O-CB 3.39Å; T310-A313 PolarHBondContact O-N 2.78Å; T310-A313 VanDerWaalsContact O-N 3.17Å; T310-A349 HydrophobicContact CG2-CB 3.61Å; T310-D352 HydrophobicContact CG2-CB 4.42Å; T310-I425 WeakPolarHBondContact OG1-CD1 3.11Å
311	K	92.3	Very high	92.6	Very high	160 Å²	160	31.2 Å²	31.2	70%	0.696	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	137.3	175.7	-165.2	-172.1	178.4	-170.6	0	109.8	A313	K311-A313 PolarHBondContact O-N 3.35Å
312	H	92.1	Very high	92	Very high	94 Å²	94	34.1 Å²	34.1	44%	0.435	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	71	0.2	-178.6	-46.7	-74	0	0	0	115.6	T310 A345 Q346	T310-H312 PolarHBondContact O-N 2.83Å; H312-A345 HydrophobicContact CB-CB 4.46Å; H312-Q346 HydrophobicContact CB-CG 3.89Å
313	A	91.8	Very high	91.1	Very high	19 Å²	19	35.1 Å²	35.1	16%	0.157	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-65.9	149.9	168.3	0	0	0	0	0	110.3	S307 T310 K311 A349 V353	S307-A313 WeakPolarHBondContact O-CB 3.46Å; T310-A313 HydrophobicContact CG2-CB 4.35Å; T310-A313 VanDerWaalsContact O-CB 3.31Å; T310-A313 WeakPolarHBondContact O-CB 3.39Å; T310-A313 PolarHBondContact O-N 2.78Å; T310-A313 VanDerWaalsContact O-N 3.17Å; K311-A313 PolarHBondContact O-N 3.35Å; A313-A349 HydrophobicContact CB-CB 4.13Å; A313-V353 HydrophobicContact CB-CG2 4.16Å
314	H	90.4	Very high	90.1	Very high	44 Å²	44	35.7 Å²	35.7	20%	0.204	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-65.9	136.9	170.2	-64.6	-60.3	0	0	0	109.6	S307 F333 Q339	S307-H314 PolarHBondContact OG-O 2.96Å; H314-F333 HydrophobicContact CB-CB 3.72Å; H314-F333 HydrophobicContact CB-CG 4.34Å; H314-F333 WeakPolarHBondContact O-CD1 3.44Å; H314-Q339 PolarHBondContact CE1-NE2 2.83Å
315	P	89.9	Confident	88.9	Confident	64 Å²	64	44.3 Å²	44.3	42%	0.416	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-68.1	144.4	-179.1	28.7	-33.3	0	0	0	110.2	H317 F333 M334	P315-H317 PolarHBondContact O-N 3.43Å; P315-F333 WeakPolarHBondContact O-CA 3.35Å; P315-M334 VanDerWaalsContact CD-O 3.27Å; P315-M334 WeakPolarHBondContact CD-O 3.37Å; P315-M334 WeakPolarHBondContact CG-O 3.37Å; P315-M334 PolarHBondContact O-N 3.04Å
316	V	90.9	Very high	87.6	Confident	17 Å²	17	53.8 Å²	53.8	10%	0.103	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	127.4	175.8	-171.9	0	0	0	0	108.8	A304 S307 V319 T331 F333 A448 L451	A304-V316 HydrophobicContact CB-CG1 4.45Å; A304-V316 HydrophobicContact CB-CG2 4.22Å; S307-V316 VanDerWaalsContact OG-CG2 3.3Å; S307-V316 WeakPolarHBondContact OG-CG2 3.25Å; V316-V319 HydrophobicContact CG1-CG2 3.59Å; V316-T331 HydrophobicContact CG1-CG2 3.88Å; V316-T331 HydrophobicContact CG2-CG2 4.37Å; V316-F333 HydrophobicContact CG2-CD1 4.32Å; V316-F333 HydrophobicContact CG2-CE1 4.12Å; V316-A448 VanDerWaalsContact O-CB 3.24Å; V316-A448 WeakPolarHBondContact O-CB 3.33Å; V316-L451 HydrophobicContact CB-CD1 4Å; V316-L451 HydrophobicContact CG1-CD1 3.39Å
317	H	85.9	Confident	86.6	Confident	23 Å²	23	56.3 Å²	56.3	11%	0.106	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-43	173.7	170.1	60.3	0	0	0	111.4	K274 P315 S332 M334 N447 A448	K274-H317 PolarHBondContact NZ-NE2 2.9Å; P315-H317 PolarHBondContact O-N 3.43Å; H317-S332 PolarHBondContact N-O 3.27Å; H317-M334 HydrophobicContact CB-CB 3.66Å; H317-M334 HydrophobicContact CB-CE 4.26Å; H317-M334 VanDerWaalsContact CE1-CE 3.46Å; H317-M334 WeakPolarHBondContact CE1-CE 3.45Å; H317-M334 WeakPolarHBondContact ND1-CE 3.22Å; H317-N447 CarbonylContact O-C 3.49Å; H317-A448 PolarHBondContact O-N 3.45Å
318	R	87.4	Confident	85.9	Confident	14 Å²	14	59.1 Å²	59.1	5%	0.053	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	145.4	-175.7	-158.7	-179.1	61.3	-177.6	-4.1	111.7	E271 D275 S332 T445 L446	E271-R318 WeakPolarHBondContact OE2-CD 3.33Å; E271-R318 IonicContact OE2-CZ 2.78Å; E271-R318 IonicContact OE2-NH1 3.99Å; E271-R318 PolarHBondContact OE2-NH1 2.93Å; D275-R318 IonicContact OD1-CZ 2.65Å; D275-R318 IonicContact OD1-NH1 3.91Å; D275-R318 IonicContact OD1-NH2 3.82Å; D275-R318 PolarHBondContact OD1-NH2 2.99Å; D275-R318 IonicContact OD2-CZ 3.45Å; D275-R318 IonicContact OD2-NH1 3.08Å; D275-R318 PolarHBondContact OD2-NH1 2.98Å; D275-R318 IonicContact OD2-NH2 2.84Å; D275-R318 PolarHBondContact OD2-NH2 3.43Å; R318-S332 PolarHBondContact N-O 2.79Å; R318-S332 PolarHBondContact O-N 3.3Å; R318-T445 HydrophobicContact CG-CG2 3.9Å; R318-L446 CarbonylContact C-O 3.46Å; R318-L446 WeakPolarHBondContact CA-O 3.38Å; R318-L446 VanDerWaalsContact CG-O 3.3Å; R318-L446 WeakPolarHBondContact CG-O 2.9Å
319	V	90.7	Very high	85.3	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	133.9	177.6	-176	0	0	0	0	108.9	E300 A304 V316 L330 T331 L440 T445 L446 L451	E300-V319 HydrophobicContact CB-CG1 3.65Å; A304-V319 HydrophobicContact CB-CG2 3.66Å; V316-V319 HydrophobicContact CG1-CG2 3.59Å; V319-L330 CarbonylContact C-O 3.58Å; V319-L330 WeakPolarHBondContact CA-O 3.04Å; V319-T331 HydrophobicContact CG2-CG2 3.97Å; V319-L440 HydrophobicContact CB-CD2 4.1Å; V319-L440 HydrophobicContact CG1-CD1 3.73Å; V319-L440 HydrophobicContact CG1-CD2 3.7Å; V319-L440 HydrophobicContact CG1-CG 4.35Å; V319-T445 CarbonylContact O-C 3.53Å; V319-T445 VanDerWaalsContact O-CA 3.25Å; V319-T445 WeakPolarHBondContact O-CA 3.22Å; V319-L446 PolarHBondContact N-O 3.5Å; V319-L446 PolarHBondContact O-N 2.78Å; V319-L451 HydrophobicContact CB-CD1 4.44Å; V319-L451 HydrophobicContact CG2-CD1 3.58Å; V319-L451 HydrophobicContact CG2-CD2 4.27Å; V319-L451 HydrophobicContact CG2-CG 4.48Å
320	T	87.9	Confident	84.8	Confident	4 Å²	4	52.9 Å²	52.9	3%	0.025	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	148.3	178.2	-173.6	0	0	0	0	111.5	L322 G329 L330 E444 T445	T320-L322 WeakPolarHBondContact OG1-CB 3.35Å; T320-L322 WeakPolarHBondContact OG1-CG 3.32Å; T320-L322 PolarHBondContact OG1-N 3.35Å; T320-G329 CarbonylContact O-C 3.56Å; T320-G329 WeakPolarHBondContact O-CA 3.3Å; T320-L330 HydrophobicContact CG2-CB 4.03Å; T320-L330 PolarHBondContact N-O 3.33Å; T320-L330 PolarHBondContact O-N 3.18Å; T320-E444 CarbonylContact C-O 3.44Å; T320-E444 WeakPolarHBondContact CA-O 3.23Å; T320-E444 PolarHBondContact OG1-O 2.85Å; T320-T445 WeakPolarHBondContact CB-OG1 3.4Å; T320-T445 PolarHBondContact OG1-OG1 2.6Å
321	I	87.8	Confident	84.5	Confident	11 Å²	11	52.6 Å²	52.6	6%	0.056	26%	0.258	C	S	.	.			trans	-108.1	14.2	171.5	62.4	164.6	0	0	0	112.1	T296 A297 L328 L440 L441 E444	T296-I321 HydrophobicContact CG2-CB 4.27Å; T296-I321 HydrophobicContact CG2-CG2 4.16Å; A297-I321 HydrophobicContact CB-CG2 4.06Å; I321-L328 CarbonylContact C-O 3.55Å; I321-L328 VanDerWaalsContact O-O 3.07Å; I321-L440 VanDerWaalsContact CD1-O 3.32Å; I321-L440 WeakPolarHBondContact CD1-O 3.24Å; I321-L440 HydrophobicContact CG2-CB 4.08Å; I321-L440 HydrophobicContact CG2-CD1 4.33Å; I321-L440 HydrophobicContact CG2-CD2 4.41Å; I321-L441 HydrophobicContact CD1-CD2 4.16Å; I321-E444 HydrophobicContact CG1-CB 4.35Å; I321-E444 WeakPolarHBondContact CG1-O 3.25Å; I321-E444 PolarHBondContact N-O 3.42Å
322	L	82.8	Confident	84.1	Confident	62 Å²	62	46 Å²	46	33%	0.325	23%	0.231	S	C	.	.			trans	-75.2	122.7	177.7	-68.6	176.2	0	0	0	110.2	T320 E444	T320-L322 WeakPolarHBondContact OG1-CB 3.35Å; T320-L322 WeakPolarHBondContact OG1-CG 3.32Å; T320-L322 PolarHBondContact OG1-N 3.35Å; L322-E444 HydrophobicContact CD2-CB 4.15Å; L322-E444 HydrophobicContact CG-CB 4.35Å
323	P	77.7	Confident	83.9	Confident	21 Å²	21	45.1 Å²	45.1	14%	0.136	23%	0.226	C	C	.	.			trans	-70.9	136.8	-176.1	28.7	-35.1	0	0	0	112.2	L283 L328	L283-P323 PolarHBondContact N-O 3.3Å; P323-L328 HydrophobicContact CB-CD2 4.34Å
324	R	76.3	Confident	83.4	Confident	21 Å²	21	45.1 Å²	45.1	8%	0.079	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-125.4	170.7	172.7	-61.4	-174.6	-177.3	-114.8	2.6	109.5	D275 G280 E326 S327	D275-R324 VanDerWaalsContact C-NH1 3.35Å; D275-R324 PolarHBondContact O-NH1 3.26Å; D275-R324 IonicContact OD2-NH2 3.32Å; D275-R324 PolarHBondContact OD2-NH2 3.15Å; D275-R324 VanDerWaalsContact OD2-NH2 3.12Å; G280-R324 PolarHBondContact O-NH1 3.43Å; G280-R324 VanDerWaalsContact O-NH1 3.09Å; R324-E326 PolarHBondContact O-N 3.48Å; R324-S327 PolarHBondContact N-O 2.94Å; R324-S327 PolarHBondContact O-N 3.47Å; R324-S327 VanDerWaalsContact O-N 3.12Å
325	R	69.2	Low	82.9	Confident	183 Å²	183	44 Å²	44	69%	0.691	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-29.8	-62.9	-171.9	-74.3	-175.3	173.4	-173.7	0.6	114.8
326	E	69.4	Low	82.3	Confident	200 Å²	200	48.6 Å²	48.6	94%	0.935	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.9	2.4	-176	-61.2	-174.4	173.2	0	0	113.7	R324	R324-E326 PolarHBondContact O-N 3.48Å
327	S	75.9	Confident	81.6	Confident	52 Å²	52	54.6 Å²	54.6	36%	0.364	26%	0.261	S	S	.	.	B	Isolated β-bridge	trans	-130.7	135.4	-174.8	-157.2	0	0	0	0	112.1	R324 G329	R324-S327 PolarHBondContact N-O 2.94Å; R324-S327 PolarHBondContact O-N 3.47Å; R324-S327 VanDerWaalsContact O-N 3.12Å; S327-G329 PolarHBondContact OG-O 3.44Å
328	L	80.3	Confident	81	Confident	65 Å²	65	55.1 Å²	55.1	34%	0.34	26%	0.264	S	S	.	.	S	Bend	trans	-88.2	-22.6	178.6	-60.3	-170.4	0	0	0	113.2	T296 I321 P323	T296-L328 HydrophobicContact CG2-CB 4Å; T296-L328 WeakPolarHBondContact CG2-O 3.35Å; I321-L328 CarbonylContact C-O 3.55Å; I321-L328 VanDerWaalsContact O-O 3.07Å; P323-L328 HydrophobicContact CB-CD2 4.34Å
329	G	82.6	Confident	80.3	Confident	3 Å²	3	57.4 Å²	57.4	3%	0.031	28%	0.276	C	S	.	.			trans	-150.4	179.4	175	0	0	0	0	0	109.7	E300 T320 S327	E300-G329 WeakPolarHBondContact OE1-CA 3.32Å; T320-G329 CarbonylContact O-C 3.56Å; T320-G329 WeakPolarHBondContact O-CA 3.3Å; S327-G329 PolarHBondContact OG-O 3.44Å
330	L	85.7	Confident	79.7	Confident	36 Å²	36	67 Å²	67	19%	0.188	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	134.3	175.2	177.1	81.4	0	0	0	111.4	M279 E300 V319 T320 S332	M279-L330 HydrophobicContact CE-CD1 3.62Å; M279-L330 HydrophobicContact CE-CD2 3.1Å; M279-L330 HydrophobicContact CE-CG 3.92Å; M279-L330 HydrophobicContact SD-CD1 4.18Å; M279-L330 HydrophobicContact SD-CD2 3.5Å; M279-L330 WeakPolarHBondContact SD-CD2 3.5Å; M279-L330 HydrophobicContact SD-CG 4.29Å; E300-L330 VanDerWaalsContact CD-N 3.28Å; E300-L330 PolarHBondContact OE1-N 2.88Å; E300-L330 WeakPolarHBondContact OE2-CA 3.16Å; V319-L330 CarbonylContact C-O 3.58Å; V319-L330 WeakPolarHBondContact CA-O 3.04Å; T320-L330 HydrophobicContact CG2-CB 4.03Å; T320-L330 PolarHBondContact N-O 3.33Å; T320-L330 PolarHBondContact O-N 3.18Å; L330-S332 WeakPolarHBondContact CD2-OG 3.27Å
331	T	87.3	Confident	79.5	Confident	12 Å²	12	75.1 Å²	75.1	7%	0.074	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	114.5	161.4	-59	0	0	0	0	110	E300 H303 A304 V316 V319 F333	E300-T331 PolarHBondContact O-OG1 3.1Å; E300-T331 PolarHBondContact OE2-N 3.39Å; E300-T331 PolarHBondContact OE2-OG1 3.46Å; H303-T331 HydrophobicContact CB-CG2 4.03Å; H303-T331 WeakPolarHBondContact CB-OG1 3.48Å; A304-T331 HydrophobicContact CB-CG2 4.44Å; V316-T331 HydrophobicContact CG1-CG2 3.88Å; V316-T331 HydrophobicContact CG2-CG2 4.37Å; V319-T331 HydrophobicContact CG2-CG2 3.97Å; T331-F333 HydrophobicContact CG2-CD1 4.41Å; T331-F333 HydrophobicContact CG2-CE1 3.6Å; T331-F333 HydrophobicContact CG2-CE2 4.2Å; T331-F333 HydrophobicContact CG2-CZ 3.46Å; T331-F333 VanDerWaalsContact CG2-CZ 3.46Å
332	S	85.3	Confident	79.6	Confident	20 Å²	20	77.5 Å²	77.5	14%	0.14	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	133.1	175.7	-56.3	0	0	0	0	110.5	H317 R318 L330	H317-S332 PolarHBondContact N-O 3.27Å; R318-S332 PolarHBondContact N-O 2.79Å; R318-S332 PolarHBondContact O-N 3.3Å; L330-S332 WeakPolarHBondContact CD2-OG 3.27Å
333	F	87.3	Confident	80	Confident	76 Å²	76	78.1 Å²	78.1	33%	0.333	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	150.7	175.2	-51	-78.4	0	0	0	110.5	H314 P315 V316 T331 V353	H314-F333 HydrophobicContact CB-CB 3.72Å; H314-F333 HydrophobicContact CB-CG 4.34Å; H314-F333 WeakPolarHBondContact O-CD1 3.44Å; P315-F333 WeakPolarHBondContact O-CA 3.35Å; V316-F333 HydrophobicContact CG2-CD1 4.32Å; V316-F333 HydrophobicContact CG2-CE1 4.12Å; T331-F333 HydrophobicContact CG2-CD1 4.41Å; T331-F333 HydrophobicContact CG2-CE1 3.6Å; T331-F333 HydrophobicContact CG2-CE2 4.2Å; T331-F333 HydrophobicContact CG2-CZ 3.46Å; T331-F333 VanDerWaalsContact CG2-CZ 3.46Å; F333-V353 HydrophobicContact CE1-CG1 3.84Å; F333-V353 HydrophobicContact CE2-CG1 4.06Å; F333-V353 HydrophobicContact CZ-CG1 3.3Å
334	M	81.5	Confident	80.7	Confident	20 Å²	20	83 Å²	83	10%	0.099	39%	0.388	C	S	.	.			trans	-132	105.3	177.7	-176.9	174.7	-74.4	0	0	110	T233 K236 P315 H317	T233-M334 HydrophobicContact CG2-CE 4.1Å; T233-M334 WeakPolarHBondContact O-CE 3.37Å; K236-M334 HydrophobicContact CB-CE 3.96Å; K236-M334 HydrophobicContact CB-CG 3.55Å; K236-M334 HydrophobicContact CB-SD 3.46Å; K236-M334 WeakPolarHBondContact CB-SD 3.36Å; K236-M334 HydrophobicContact CD-CG 4.31Å; K236-M334 HydrophobicContact CD-SD 3.95Å; K236-M334 HydrophobicContact CG-CG 4.48Å; K236-M334 HydrophobicContact CG-SD 4.36Å; P315-M334 VanDerWaalsContact CD-O 3.27Å; P315-M334 WeakPolarHBondContact CD-O 3.37Å; P315-M334 WeakPolarHBondContact CG-O 3.37Å; P315-M334 PolarHBondContact O-N 3.04Å; H317-M334 HydrophobicContact CB-CB 3.66Å; H317-M334 HydrophobicContact CB-CE 4.26Å; H317-M334 VanDerWaalsContact CE1-CE 3.46Å; H317-M334 WeakPolarHBondContact CE1-CE 3.45Å; H317-M334 WeakPolarHBondContact ND1-CE 3.22Å
335	P	80	Confident	81.5	Confident	20 Å²	20	83.9 Å²	83.9	13%	0.13	40%	0.4	C	S	.	.			trans	-57.4	145.8	170.8	-22	33.3	0	0	0	111.3	I239 K337	I239-P335 HydrophobicContact CD1-CB 4.24Å; I239-P335 HydrophobicContact CD1-CG 3.68Å; P335-K337 WeakPolarHBondContact CB-O 3.4Å; P335-K337 PolarHBondContact O-N 3.17Å
336	E	76.4	Confident	82.7	Confident	160 Å²	160	76.5 Å²	76.5	75%	0.748	37%	0.373	S	S	*	.	S	Bend	trans	-65.8	-28.9	176.3	-65.8	179.2	169.4	0	0	112.6
337	K	75.6	Confident	83.8	Confident	143 Å²	143	67.4 Å²	67.4	62%	0.622	33%	0.331	S	S	*	.	S	Bend	trans	-147.1	157.4	-178.8	62.2	-179.2	-179.2	178.1	0	110.3	P335 Q339	P335-K337 WeakPolarHBondContact CB-O 3.4Å; P335-K337 PolarHBondContact O-N 3.17Å; K337-Q339 WeakPolarHBondContact O-CG 3.21Å; K337-Q339 PolarHBondContact O-N 2.77Å
338	D	74.4	Confident	84.7	Confident	34 Å²	34	66.9 Å²	66.9	18%	0.182	32%	0.324	C	S	.	.			trans	-60	127.9	168.6	-70.9	-2.7	0	0	0	109.1	L209 R212	L209-D338 PolarHBondContact N-OD2 3.48Å; R212-D338 IonicContact CZ-OD1 2.77Å; R212-D338 IonicContact CZ-OD2 3.73Å; R212-D338 IonicContact NH1-OD1 3.81Å; R212-D338 IonicContact NH1-OD2 3.49Å; R212-D338 PolarHBondContact NH1-OD2 3.44Å; R212-D338 IonicContact NH2-OD1 3.68Å; R212-D338 PolarHBondContact NH2-OD1 3.29Å; R212-D338 IonicContact NH2-OD2 3.88Å; R212-D338 PolarHBondContact NH2-OD2 3.07Å
339	Q	72.5	Confident	85.4	Confident	63 Å²	63	63.9 Å²	63.9	29%	0.294	31%	0.308	S	S	.	.			trans	-109.8	115.2	-176.7	-58.8	-172.1	15.6	0	0	109.3	H314 K337	H314-Q339 PolarHBondContact CE1-NE2 2.83Å; K337-Q339 WeakPolarHBondContact O-CG 3.21Å; K337-Q339 PolarHBondContact O-N 2.77Å
340	Y	76.9	Confident	86	Confident	201 Å²	201	65.1 Å²	65.1	79%	0.788	32%	0.317	S	S	*	.	S	Bend	trans	-82.6	-24.4	172.7	-61.4	-77.5	0	0	0	112.2
341	E	85.2	Confident	86.4	Confident	175 Å²	175	63.4 Å²	63.4	82%	0.818	31%	0.308	S	S	*	.	S	Bend	trans	-132.1	143	179.8	-63.4	-179.1	171.8	0	0	109.4
342	V	88.8	Confident	86.8	Confident	61 Å²	61	63.4 Å²	63.4	37%	0.37	31%	0.307	S	S	.	.			trans	-120.3	127.4	177.6	-169.9	0	0	0	0	109.1	Q346 L347	V342-Q346 HydrophobicContact CG1-CB 3.58Å; V342-L347 HydrophobicContact CB-CD2 4.15Å; V342-L347 HydrophobicContact CB-CG 4.34Å; V342-L347 HydrophobicContact CG1-CD2 3.66Å; V342-L347 HydrophobicContact CG1-CG 3.74Å
343	T	92.3	Very high	87.3	Confident	74 Å²	74	62.9 Å²	62.9	45%	0.454	30%	0.303	S	S	.	.			trans	-76.8	155.4	179.7	64.3	0	0	0	0	111.5	A345 Q346 L347	T343-A345 PolarHBondContact O-N 2.77Å; T343-A345 VanDerWaalsContact O-N 3.12Å; T343-Q346 PolarHBondContact O-N 3.26Å; T343-Q346 VanDerWaalsContact OG1-CG 3.32Å; T343-Q346 WeakPolarHBondContact OG1-CG 3.23Å; T343-Q346 PolarHBondContact OG1-N 2.95Å; T343-Q346 PolarHBondContact OG1-OE1 2.81Å; T343-L347 WeakPolarHBondContact O-CG 3.26Å; T343-L347 PolarHBondContact O-N 2.98Å
344	R	92.6	Very high	87.7	Confident	123 Å²	123	60.6 Å²	60.6	46%	0.464	29%	0.294	S	S	.	.	H	α-helix	trans	-50.8	-38.6	173	-176.5	176.8	176	-116.5	4	112.7	L347 L348 M388 M394	R344-L347 PolarHBondContact O-N 3.43Å; R344-L348 HydrophobicContact CG-CD1 4.17Å; R344-L348 WeakPolarHBondContact O-CB 3.49Å; R344-L348 VanDerWaalsContact O-CG 3.32Å; R344-L348 WeakPolarHBondContact O-CG 3.31Å; R344-L348 PolarHBondContact O-N 3.38Å; R344-M388 HydrophobicContact CG-CE 4.04Å; R344-M394 HydrophobicContact CB-CE 4.12Å; R344-M394 HydrophobicContact CB-CG 4.49Å; R344-M394 HydrophobicContact CB-SD 3.65Å; R344-M394 HydrophobicContact CG-CB 4.35Å; R344-M394 HydrophobicContact CG-CG 4.49Å; R344-M394 HydrophobicContact CG-SD 3.89Å
345	A	93.1	Very high	88.4	Confident	40 Å²	40	60.2 Å²	60.2	33%	0.331	29%	0.292	S	S	.	.	H	α-helix	trans	-65.5	-41.1	179.2	0	0	0	0	0	112.5	H312 T343 A349	H312-A345 HydrophobicContact CB-CB 4.46Å; T343-A345 PolarHBondContact O-N 2.77Å; T343-A345 VanDerWaalsContact O-N 3.12Å; A345-A349 VanDerWaalsContact O-CB 3.32Å; A345-A349 WeakPolarHBondContact O-CB 3.49Å; A345-A349 PolarHBondContact O-N 3.43Å
346	Q	92.9	Very high	89.2	Confident	29 Å²	29	59.2 Å²	59.2	14%	0.136	29%	0.286	C	S	.	.	H	α-helix	trans	-68.8	-37.7	176.2	-69.6	168.1	-65	0	0	112.2	H312 V342 T343 A349 S350	H312-Q346 HydrophobicContact CB-CG 3.89Å; V342-Q346 HydrophobicContact CG1-CB 3.58Å; T343-Q346 PolarHBondContact O-N 3.26Å; T343-Q346 VanDerWaalsContact OG1-CG 3.32Å; T343-Q346 WeakPolarHBondContact OG1-CG 3.23Å; T343-Q346 PolarHBondContact OG1-N 2.95Å; T343-Q346 PolarHBondContact OG1-OE1 2.81Å; Q346-A349 PolarHBondContact O-N 3.48Å; Q346-S350 WeakPolarHBondContact O-CB 3.5Å; Q346-S350 PolarHBondContact O-N 3.45Å; Q346-S350 PolarHBondContact O-OG 3.44Å
347	L	93.3	Very high	90.1	Very high	9 Å²	9	51.6 Å²	51.6	5%	0.047	25%	0.25	C	S	.	.	H	α-helix	trans	-64.3	-46.5	175.3	-63.6	169.3	0	0	0	110.9	V342 T343 R344 A349 S350 I351 L384 M388 Y392 M394	V342-L347 HydrophobicContact CB-CD2 4.15Å; V342-L347 HydrophobicContact CB-CG 4.34Å; V342-L347 HydrophobicContact CG1-CD2 3.66Å; V342-L347 HydrophobicContact CG1-CG 3.74Å; T343-L347 WeakPolarHBondContact O-CG 3.26Å; T343-L347 PolarHBondContact O-N 2.98Å; R344-L347 PolarHBondContact O-N 3.43Å; L347-A349 PolarHBondContact O-N 3.4Å; L347-S350 WeakPolarHBondContact O-CB 3.28Å; L347-S350 PolarHBondContact O-N 2.99Å; L347-S350 VanDerWaalsContact O-N 3.16Å; L347-I351 WeakPolarHBondContact O-CG1 3.3Å; L347-I351 PolarHBondContact O-N 3.13Å; L347-L384 HydrophobicContact CD2-CD1 3.57Å; L347-L384 HydrophobicContact CD2-CD2 4.36Å; L347-L384 HydrophobicContact CD2-CG 4.15Å; L347-M388 HydrophobicContact CB-CE 3.96Å; L347-M388 HydrophobicContact CB-CG 3.95Å; L347-M388 HydrophobicContact CB-SD 3.62Å; L347-M388 HydrophobicContact CD1-CG 3.69Å; L347-M388 HydrophobicContact CD1-SD 4.46Å; L347-M388 HydrophobicContact CG-CG 4.34Å; L347-Y392 HydrophobicContact CD1-CD2 3.91Å; L347-Y392 HydrophobicContact CD1-CE2 4.09Å; L347-M394 HydrophobicContact CD1-CE 3.74Å; L347-M394 HydrophobicContact CD1-SD 3.6Å
348	L	94.4	Very high	91	Very high	41 Å²	41	47.5 Å²	47.5	22%	0.215	23%	0.231	C	C	.	.	H	α-helix	trans	-60.5	-43.5	174.2	-71.7	172.7	0	0	0	112.1	R344 S350 I351 D352 M388	R344-L348 HydrophobicContact CG-CD1 4.17Å; R344-L348 WeakPolarHBondContact O-CB 3.49Å; R344-L348 VanDerWaalsContact O-CG 3.32Å; R344-L348 WeakPolarHBondContact O-CG 3.31Å; R344-L348 PolarHBondContact O-N 3.38Å; L348-S350 VanDerWaalsContact C-N 3.27Å; L348-S350 PolarHBondContact O-N 3.34Å; L348-I351 PolarHBondContact O-N 2.87Å; L348-D352 PolarHBondContact O-N 2.9Å; L348-M388 HydrophobicContact CD2-CE 3.82Å; L348-M388 HydrophobicContact CG-CE 3.86Å
349	A	94.9	Very high	92	Very high	2 Å²	2	45.9 Å²	45.9	2%	0.017	22%	0.222	C	C	.	.	H	α-helix	trans	-60.8	-37.3	175.3	0	0	0	0	0	112.1	T310 A313 A345 Q346 L347 D352 V353	T310-A349 HydrophobicContact CG2-CB 3.61Å; A313-A349 HydrophobicContact CB-CB 4.13Å; A345-A349 VanDerWaalsContact O-CB 3.32Å; A345-A349 WeakPolarHBondContact O-CB 3.49Å; A345-A349 PolarHBondContact O-N 3.43Å; Q346-A349 PolarHBondContact O-N 3.48Å; L347-A349 PolarHBondContact O-N 3.4Å; A349-D352 WeakPolarHBondContact O-CB 3.32Å; A349-D352 PolarHBondContact O-N 3.33Å; A349-V353 VanDerWaalsContact O-CG2 3.32Å; A349-V353 WeakPolarHBondContact O-CG2 3.35Å; A349-V353 PolarHBondContact O-N 3.41Å
350	S	94.7	Very high	93.1	Very high	29 Å²	29	42.9 Å²	42.9	20%	0.203	21%	0.208	C	C	.	.	H	α-helix	trans	-66.8	-39.8	175.7	-57.8	0	0	0	0	111.5	Q346 L347 L348 V353 L354	Q346-S350 WeakPolarHBondContact O-CB 3.5Å; Q346-S350 PolarHBondContact O-N 3.45Å; Q346-S350 PolarHBondContact O-OG 3.44Å; L347-S350 WeakPolarHBondContact O-CB 3.28Å; L347-S350 PolarHBondContact O-N 2.99Å; L347-S350 VanDerWaalsContact O-N 3.16Å; L348-S350 VanDerWaalsContact C-N 3.27Å; L348-S350 PolarHBondContact O-N 3.34Å; S350-V353 PolarHBondContact O-N 3.47Å; S350-L354 WeakPolarHBondContact O-CD1 3.29Å; S350-L354 VanDerWaalsContact O-CG 3.22Å; S350-L354 WeakPolarHBondContact O-CG 3.46Å; S350-L354 PolarHBondContact O-N 2.95Å
351	I	95.1	Very high	93.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.7	-43.4	173.2	-60.9	173.1	0	0	0	110.4	L347 L348 V353 L354 M355 A381 L384 A385 M388 A418	L347-I351 WeakPolarHBondContact O-CG1 3.3Å; L347-I351 PolarHBondContact O-N 3.13Å; L348-I351 PolarHBondContact O-N 2.87Å; I351-V353 VanDerWaalsContact C-N 3.3Å; I351-V353 PolarHBondContact O-N 2.74Å; I351-L354 PolarHBondContact O-N 2.93Å; I351-M355 HydrophobicContact CG2-CG 4.34Å; I351-M355 WeakPolarHBondContact O-CG 3.19Å; I351-M355 PolarHBondContact O-N 2.76Å; I351-A381 HydrophobicContact CG2-CB 4.39Å; I351-L384 HydrophobicContact CG1-CB 4.48Å; I351-L384 HydrophobicContact CG1-CD2 3.89Å; I351-L384 HydrophobicContact CG1-CG 4.38Å; I351-A385 HydrophobicContact CD1-CB 3.98Å; I351-M388 HydrophobicContact CD1-SD 3.65Å; I351-A418 HydrophobicContact CB-CB 4.37Å; I351-A418 HydrophobicContact CG2-CB 3.52Å
352	D	96.1	Very high	94.4	Very high	12 Å²	12	26.3 Å²	26.3	6%	0.064	14%	0.139	C	C	.	.	H	α-helix	trans	-57	-45.3	176.8	-68.6	-9.2	0	0	0	111.1	V306 T310 L348 A349 M355 A356 A418 R421	V306-D352 HydrophobicContact CG1-CB 4.27Å; T310-D352 HydrophobicContact CG2-CB 4.42Å; L348-D352 PolarHBondContact O-N 2.9Å; A349-D352 WeakPolarHBondContact O-CB 3.32Å; A349-D352 PolarHBondContact O-N 3.33Å; D352-M355 PolarHBondContact O-N 3.45Å; D352-A356 PolarHBondContact O-N 3.09Å; D352-A418 VanDerWaalsContact OD1-CA 3.23Å; D352-A418 WeakPolarHBondContact OD1-CA 3.49Å; D352-A418 WeakPolarHBondContact OD1-CB 3.19Å; D352-R421 VanDerWaalsContact CG-NE 3.32Å; D352-R421 IonicContact OD1-CZ 2.86Å; D352-R421 IonicContact OD1-NE 2.95Å; D352-R421 PolarHBondContact OD1-NE 3.08Å; D352-R421 IonicContact OD1-NH2 3.67Å; D352-R421 PolarHBondContact OD1-NH2 3.21Å; D352-R421 IonicContact OD2-CZ 3.2Å; D352-R421 IonicContact OD2-NE 3.82Å; D352-R421 PolarHBondContact OD2-NE 2.96Å; D352-R421 IonicContact OD2-NH2 2.68Å
353	V	96.3	Very high	94.6	Very high	8 Å²	8	26.1 Å²	26.1	5%	0.048	14%	0.136	C	C	.	.	H	α-helix	trans	-63.6	-44.9	175.9	173	0	0	0	0	111.3	H303 V306 A313 F333 A349 S350 I351 M355 A356	H303-V353 PolarHBondContact CE1-O 3.35Å; H303-V353 VanDerWaalsContact CE1-O 3.27Å; H303-V353 PolarHBondContact ND1-O 3.41Å; V306-V353 HydrophobicContact CG1-CG2 4.24Å; A313-V353 HydrophobicContact CB-CG2 4.16Å; F333-V353 HydrophobicContact CE1-CG1 3.84Å; F333-V353 HydrophobicContact CE2-CG1 4.06Å; F333-V353 HydrophobicContact CZ-CG1 3.3Å; A349-V353 VanDerWaalsContact O-CG2 3.32Å; A349-V353 WeakPolarHBondContact O-CG2 3.35Å; A349-V353 PolarHBondContact O-N 3.41Å; S350-V353 PolarHBondContact O-N 3.47Å; I351-V353 VanDerWaalsContact C-N 3.3Å; I351-V353 PolarHBondContact O-N 2.74Å; V353-M355 VanDerWaalsContact C-N 3.26Å; V353-M355 PolarHBondContact O-N 2.65Å; V353-A356 WeakPolarHBondContact O-CB 3.32Å; V353-A356 PolarHBondContact O-N 2.82Å
354	L	95.5	Very high	94.6	Very high	28 Å²	28	25.2 Å²	25.2	15%	0.147	13%	0.13	C	C	.	.	H	α-helix	trans	-63.6	-31.4	179.1	-70.7	163.6	0	0	0	112.4	S350 I351 A356 D377 K380 A381	S350-L354 WeakPolarHBondContact O-CD1 3.29Å; S350-L354 VanDerWaalsContact O-CG 3.22Å; S350-L354 WeakPolarHBondContact O-CG 3.46Å; S350-L354 PolarHBondContact O-N 2.95Å; I351-L354 PolarHBondContact O-N 2.93Å; L354-A356 VanDerWaalsContact C-N 3.28Å; L354-A356 PolarHBondContact O-N 3.04Å; L354-D377 HydrophobicContact CB-CB 4.36Å; L354-D377 HydrophobicContact CD2-CB 4.09Å; L354-D377 VanDerWaalsContact O-CB 3.31Å; L354-D377 WeakPolarHBondContact O-CB 3.32Å; L354-K380 HydrophobicContact CD1-CB 3.98Å; L354-K380 HydrophobicContact CD2-CB 3.99Å; L354-K380 HydrophobicContact CD2-CD 4.13Å; L354-A381 HydrophobicContact CB-CB 3.91Å; L354-A381 HydrophobicContact CD1-CB 4.01Å
355	M	95.3	Very high	94.3	Very high	12 Å²	12	20.9 Å²	20.9	6%	0.059	12%	0.118	C	C	.	.	H	α-helix	trans	-78.5	-10.6	175.6	-63.1	-53.9	-69.2	0	0	113.6	I351 D352 V353 A359 L378 A381 A418 Y419	I351-M355 HydrophobicContact CG2-CG 4.34Å; I351-M355 WeakPolarHBondContact O-CG 3.19Å; I351-M355 PolarHBondContact O-N 2.76Å; D352-M355 PolarHBondContact O-N 3.45Å; V353-M355 VanDerWaalsContact C-N 3.26Å; V353-M355 PolarHBondContact O-N 2.65Å; M355-A359 WeakPolarHBondContact O-CB 3.35Å; M355-A359 PolarHBondContact O-N 3.17Å; M355-L378 HydrophobicContact CE-CD2 3.85Å; M355-L378 HydrophobicContact SD-CD2 3.77Å; M355-A381 HydrophobicContact SD-CB 4.34Å; M355-A418 HydrophobicContact CG-CB 3.92Å; M355-Y419 HydrophobicContact CE-CD2 4.02Å; M355-Y419 HydrophobicContact CE-CG 4.32Å
356	A	96.6	Very high	94	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-67.9	-40.3	-171.7	0	0	0	0	0	114.1	G302 V306 D352 V353 L354 A359 A360 A422	G302-A356 WeakPolarHBondContact O-CB 3.48Å; V306-A356 HydrophobicContact CB-CB 3.63Å; V306-A356 HydrophobicContact CG1-CB 4.13Å; V306-A356 HydrophobicContact CG2-CB 3.5Å; V306-A356 VanDerWaalsContact CG2-CB 3.5Å; D352-A356 PolarHBondContact O-N 3.09Å; V353-A356 WeakPolarHBondContact O-CB 3.32Å; V353-A356 PolarHBondContact O-N 2.82Å; L354-A356 VanDerWaalsContact C-N 3.28Å; L354-A356 PolarHBondContact O-N 3.04Å; A356-A359 PolarHBondContact O-N 3.07Å; A356-A360 WeakPolarHBondContact O-CB 3.42Å; A356-A360 PolarHBondContact O-N 2.93Å; A356-A422 HydrophobicContact CB-CB 4.44Å
357	G	94.9	Very high	93.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-59.3	-49.6	178.2	0	0	0	0	0	111.7	H303 A359 A360 E361	H303-G357 PolarHBondContact CE1-N 2.86Å; G357-A359 PolarHBondContact O-N 3.12Å; G357-A360 PolarHBondContact O-N 3.41Å; G357-E361 WeakPolarHBondContact O-CG 3.36Å; G357-E361 PolarHBondContact O-N 3.46Å
358	R	94.7	Very high	93.6	Very high	57 Å²	57	34.3 Å²	34.3	22%	0.215	18%	0.175	C	C	.	.	H	α-helix	trans	-60	-42.6	173.9	175	53.3	-174.5	-97.6	8.4	112.4	D362 C374 Y419	R358-D362 PolarHBondContact O-N 3.38Å; R358-D362 VanDerWaalsContact O-N 3.11Å; R358-C374 HydrophobicContact CB-CB 4.16Å; R358-Y419 HydrophobicContact CG-CD2 4.44Å; R358-Y419 HydrophobicContact CG-CE2 3.88Å
359	A	96	Very high	93.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.9	-37.5	178.2	0	0	0	0	0	112.4	M355 A356 G357 L363 Y419 A422 K423 L426	M355-A359 WeakPolarHBondContact O-CB 3.35Å; M355-A359 PolarHBondContact O-N 3.17Å; A356-A359 PolarHBondContact O-N 3.07Å; G357-A359 PolarHBondContact O-N 3.12Å; A359-L363 WeakPolarHBondContact O-CB 3.43Å; A359-L363 VanDerWaalsContact O-CG 3.24Å; A359-L363 WeakPolarHBondContact O-CG 3.24Å; A359-L363 PolarHBondContact O-N 3.15Å; A359-L363 VanDerWaalsContact O-N 3.1Å; A359-Y419 HydrophobicContact CB-CD2 4.02Å; A359-Y419 HydrophobicContact CB-CE2 3.73Å; A359-A422 HydrophobicContact CB-CB 4.08Å; A359-K423 HydrophobicContact CB-CB 4.28Å; A359-L426 HydrophobicContact CB-CD1 3.98Å
360	A	96	Very high	92.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-66.3	-44.7	176.9	0	0	0	0	0	112.1	Y298 A356 G357 L363 V364 L426	Y298-A360 VanDerWaalsContact O-CB 3.28Å; Y298-A360 WeakPolarHBondContact O-CB 3.41Å; A356-A360 WeakPolarHBondContact O-CB 3.42Å; A356-A360 PolarHBondContact O-N 2.93Å; G357-A360 PolarHBondContact O-N 3.41Å; A360-L363 PolarHBondContact O-N 2.97Å; A360-V364 WeakPolarHBondContact O-CG2 3.24Å; A360-V364 PolarHBondContact O-N 3.22Å; A360-V364 VanDerWaalsContact O-N 3.08Å; A360-L426 HydrophobicContact CB-CD1 3.82Å
361	E	94.1	Very high	92.5	Very high	1 Å²	1	40 Å²	40	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-60.7	-47.3	175.8	-70.6	-177.1	-173.1	0	0	111.8	V295 H299 G357 L363 V364 C365 G366 V370 S371	V295-E361 HydrophobicContact CG1-CG 3.97Å; H299-E361 HydrophobicContact CB-CG 4.28Å; H299-E361 IonicContact CE1-OE1 3.96Å; H299-E361 IonicContact CG-OE1 3.56Å; H299-E361 IonicContact ND1-OE1 3.71Å; H299-E361 PolarHBondContact ND1-OE1 3.11Å; G357-E361 WeakPolarHBondContact O-CG 3.36Å; G357-E361 PolarHBondContact O-N 3.46Å; E361-L363 VanDerWaalsContact C-N 3.31Å; E361-L363 PolarHBondContact O-N 3.1Å; E361-V364 PolarHBondContact O-N 3.31Å; E361-C365 WeakPolarHBondContact O-CA 3.32Å; E361-C365 VanDerWaalsContact O-CB 3.3Å; E361-C365 WeakPolarHBondContact O-CB 3.3Å; E361-C365 PolarHBondContact O-N 2.79Å; E361-G366 PolarHBondContact O-N 3.37Å; E361-V370 HydrophobicContact CB-CG2 4.43Å; E361-V370 WeakPolarHBondContact OE2-CA 3.31Å; E361-S371 PolarHBondContact OE1-OG 2.95Å; E361-S371 PolarHBondContact OE2-N 3.49Å; E361-S371 PolarHBondContact OE2-OG 3.24Å
362	D	94	Very high	92.2	Very high	26 Å²	26	45.4 Å²	45.4	14%	0.139	25%	0.245	C	C	.	.	H	α-helix	trans	-60.6	-39.1	178.6	-174.8	40.7	0	0	0	112.2	R358 G366 Y367 V370 Y419 K423	R358-D362 PolarHBondContact O-N 3.38Å; R358-D362 VanDerWaalsContact O-N 3.11Å; D362-G366 VanDerWaalsContact O-CA 3.25Å; D362-G366 WeakPolarHBondContact O-CA 3.44Å; D362-G366 PolarHBondContact O-N 2.89Å; D362-Y367 PolarHBondContact OD1-N 2.93Å; D362-V370 HydrophobicContact CB-CG2 4.36Å; D362-Y419 VanDerWaalsContact CB-OH 3.22Å; D362-Y419 WeakPolarHBondContact CB-OH 3.5Å; D362-Y419 PolarHBondContact OD2-OH 3.06Å; D362-K423 IonicContact OD2-NZ 2.67Å; D362-K423 PolarHBondContact OD2-NZ 3.36Å
363	L	93.8	Very high	91.6	Very high	58 Å²	58	46.9 Å²	46.9	30%	0.304	26%	0.263	S	S	.	.	H	α-helix	trans	-71.4	-38.4	179.8	-74.7	174.7	0	0	0	114	A359 A360 E361 K423 L426 K427	A359-L363 WeakPolarHBondContact O-CB 3.43Å; A359-L363 VanDerWaalsContact O-CG 3.24Å; A359-L363 WeakPolarHBondContact O-CG 3.24Å; A359-L363 PolarHBondContact O-N 3.15Å; A359-L363 VanDerWaalsContact O-N 3.1Å; A360-L363 PolarHBondContact O-N 2.97Å; E361-L363 VanDerWaalsContact C-N 3.31Å; E361-L363 PolarHBondContact O-N 3.1Å; L363-K423 HydrophobicContact CD1-CG 3.9Å; L363-K423 HydrophobicContact CD2-CD 4.28Å; L363-K423 HydrophobicContact CD2-CG 3.76Å; L363-K423 HydrophobicContact CG-CG 3.91Å; L363-L426 HydrophobicContact CD1-CB 3.59Å; L363-L426 HydrophobicContact CD1-CD1 4.17Å; L363-K427 HydrophobicContact CD1-CG 4.09Å; L363-K427 HydrophobicContact CD2-CD 4.25Å; L363-K427 VanDerWaalsContact CD2-CE 3.43Å; L363-K427 HydrophobicContact CD2-CG 3.84Å
364	V	91.5	Very high	91.3	Very high	55 Å²	55	46.9 Å²	46.9	33%	0.333	26%	0.263	S	S	.	.	H	α-helix	trans	-99.2	-39.6	-169.7	178.7	0	0	0	0	112.1	Y298 A360 E361	Y298-V364 HydrophobicContact CD1-CB 4.2Å; Y298-V364 HydrophobicContact CD1-CG1 3.85Å; Y298-V364 HydrophobicContact CD1-CG2 3.71Å; Y298-V364 HydrophobicContact CD2-CG1 3.85Å; Y298-V364 HydrophobicContact CE1-CG1 3.82Å; Y298-V364 HydrophobicContact CE1-CG2 4.01Å; Y298-V364 HydrophobicContact CE2-CG1 3.85Å; Y298-V364 HydrophobicContact CG-CB 4.28Å; Y298-V364 HydrophobicContact CG-CG1 3.85Å; Y298-V364 HydrophobicContact CG-CG2 4.25Å; A360-V364 WeakPolarHBondContact O-CG2 3.24Å; A360-V364 PolarHBondContact O-N 3.22Å; A360-V364 VanDerWaalsContact O-N 3.08Å; E361-V364 PolarHBondContact O-N 3.31Å
365	C	86.5	Confident	91	Very high	31 Å²	31	48.5 Å²	48.5	21%	0.209	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-22.8	-176.8	-50.2	0	0	0	0	111.7	E361 L369	E361-C365 WeakPolarHBondContact O-CA 3.32Å; E361-C365 VanDerWaalsContact O-CB 3.3Å; E361-C365 WeakPolarHBondContact O-CB 3.3Å; E361-C365 PolarHBondContact O-N 2.79Å; C365-L369 HydrophobicContact CB-CB 3.68Å; C365-L369 HydrophobicContact CB-CD1 4.31Å; C365-L369 WeakPolarHBondContact O-CD1 3.43Å
366	G	88.4	Confident	90.7	Very high	27 Å²	27	50.9 Å²	50.9	28%	0.278	30%	0.298	S	S	.	.			trans	85.5	160	-174.2	0	0	0	0	0	112.4	E361 D362 E368 L369	E361-G366 PolarHBondContact O-N 3.37Å; D362-G366 VanDerWaalsContact O-CA 3.25Å; D362-G366 WeakPolarHBondContact O-CA 3.44Å; D362-G366 PolarHBondContact O-N 2.89Å; G366-E368 VanDerWaalsContact C-N 3.27Å; G366-E368 PolarHBondContact O-N 2.94Å; G366-L369 PolarHBondContact O-N 3.32Å
367	Y	88.9	Confident	90.5	Very high	159 Å²	159	52 Å²	52	62%	0.624	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-54.7	-37.8	-172.8	-173.5	-100.3	0	0	0	114.3	D362 L369 V370	D362-Y367 PolarHBondContact OD1-N 2.93Å; Y367-L369 PolarHBondContact O-N 2.75Å; Y367-V370 WeakPolarHBondContact O-CG2 3.41Å; Y367-V370 PolarHBondContact O-N 2.98Å
368	E	87.4	Confident	90.4	Very high	175 Å²	175	54.5 Å²	54.5	82%	0.818	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-68.1	-19.6	-179.6	-62.3	-60.7	144.4	0	0	113.7	G366	G366-E368 VanDerWaalsContact C-N 3.27Å; G366-E368 PolarHBondContact O-N 2.94Å
369	L	86.1	Confident	90.2	Very high	115 Å²	115	55.3 Å²	55.3	60%	0.602	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-109.2	12.1	-177.6	-65.2	-176.3	0	0	0	113.2	C365 G366 Y367 S371	C365-L369 HydrophobicContact CB-CB 3.68Å; C365-L369 HydrophobicContact CB-CD1 4.31Å; C365-L369 WeakPolarHBondContact O-CD1 3.43Å; G366-L369 PolarHBondContact O-N 3.32Å; Y367-L369 PolarHBondContact O-N 2.75Å; L369-S371 PolarHBondContact O-N 3.32Å
370	V	88.3	Confident	90	Very high	34 Å²	34	60.6 Å²	60.6	21%	0.206	36%	0.355	C	S	.	.			trans	-62.9	131	170.9	171.3	0	0	0	0	109.8	E361 D362 Y367	E361-V370 HydrophobicContact CB-CG2 4.43Å; E361-V370 WeakPolarHBondContact OE2-CA 3.31Å; D362-V370 HydrophobicContact CB-CG2 4.36Å; Y367-V370 WeakPolarHBondContact O-CG2 3.41Å; Y367-V370 PolarHBondContact O-N 2.98Å
371	S	87.4	Confident	89.8	Confident	42 Å²	42	60.6 Å²	60.6	29%	0.294	36%	0.355	S	S	.	.			trans	-89.4	162.2	-175.5	86.1	0	0	0	0	112.9	E361 L369 G373 C374	E361-S371 PolarHBondContact OE1-OG 2.95Å; E361-S371 PolarHBondContact OE2-N 3.49Å; E361-S371 PolarHBondContact OE2-OG 3.24Å; L369-S371 PolarHBondContact O-N 3.32Å; S371-G373 PolarHBondContact O-N 2.98Å; S371-G373 PolarHBondContact OG-N 3.25Å; S371-G373 VanDerWaalsContact OG-N 3.07Å; S371-C374 PolarHBondContact O-SG 2.93Å
372	S	87.3	Confident	89.7	Confident	113 Å²	113	62 Å²	62	79%	0.79	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-73.9	-4.1	168.5	54.6	0	0	0	0	113.5	C374 A375	S372-C374 PolarHBondContact O-N 3.46Å; S372-A375 WeakPolarHBondContact O-CB 3.48Å; S372-A375 PolarHBondContact O-N 2.98Å
373	G	85.2	Confident	89.5	Confident	44 Å²	44	64.2 Å²	64.2	45%	0.454	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-62.5	-26.8	-178.4	0	0	0	0	0	113.8	S371 A375	S371-G373 PolarHBondContact O-N 2.98Å; S371-G373 PolarHBondContact OG-N 3.25Å; S371-G373 VanDerWaalsContact OG-N 3.07Å; G373-A375 PolarHBondContact O-N 3.41Å
374	C	88.5	Confident	89.4	Confident	7 Å²	7	63.2 Å²	63.2	5%	0.047	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-74.2	-0.6	178.4	65.3	0	0	0	0	114.9	R358 S371 S372 S376 D377 L378	R358-C374 HydrophobicContact CB-CB 4.16Å; S371-C374 PolarHBondContact O-SG 2.93Å; S372-C374 PolarHBondContact O-N 3.46Å; C374-S376 VanDerWaalsContact C-N 3.35Å; C374-S376 PolarHBondContact O-N 2.84Å; C374-D377 PolarHBondContact O-N 3.02Å; C374-L378 WeakPolarHBondContact O-CB 3.48Å; C374-L378 VanDerWaalsContact O-CG 3.32Å; C374-L378 WeakPolarHBondContact O-CG 3.09Å; C374-L378 PolarHBondContact O-N 2.9Å
375	A	89.5	Confident	89.4	Confident	62 Å²	62	61 Å²	61	51%	0.512	36%	0.36	S	S	.	.	H	α-helix	trans	-59.8	-41.6	-175.2	0	0	0	0	0	113	S372 G373 S379	S372-A375 WeakPolarHBondContact O-CB 3.48Å; S372-A375 PolarHBondContact O-N 2.98Å; G373-A375 PolarHBondContact O-N 3.41Å; A375-S379 WeakPolarHBondContact O-CB 3.32Å; A375-S379 PolarHBondContact O-N 2.88Å
376	S	88.7	Confident	89.5	Confident	62 Å²	62	60.8 Å²	60.8	43%	0.434	36%	0.357	S	S	.	.	H	α-helix	trans	-64.2	-42.6	177.2	-168	0	0	0	0	111.2	C374 S379 K380	C374-S376 VanDerWaalsContact C-N 3.35Å; C374-S376 PolarHBondContact O-N 2.84Å; S376-S379 PolarHBondContact O-N 3.09Å; S376-K380 WeakPolarHBondContact O-CG 3.31Å; S376-K380 PolarHBondContact O-N 3.27Å; S376-K380 WeakPolarHBondContact OG-CE 3.1Å; S376-K380 PolarHBondContact OG-NZ 3.38Å
377	D	93	Very high	89.6	Confident	23 Å²	23	61.6 Å²	61.6	12%	0.123	36%	0.355	C	S	.	.	H	α-helix	trans	-69.2	-41.5	-177.6	-48.2	-52.6	0	0	0	111.5	H299 H303 L354 C374 S379 K380 A381	H299-D377 IonicContact CE1-OD2 2.93Å; H299-D377 IonicContact NE2-OD2 3.74Å; H303-D377 IonicContact NE2-OD2 2.71Å; L354-D377 HydrophobicContact CB-CB 4.36Å; L354-D377 HydrophobicContact CD2-CB 4.09Å; L354-D377 VanDerWaalsContact O-CB 3.31Å; L354-D377 WeakPolarHBondContact O-CB 3.32Å; C374-D377 PolarHBondContact O-N 3.02Å; D377-S379 VanDerWaalsContact C-N 3.34Å; D377-S379 PolarHBondContact O-N 2.93Å; D377-K380 PolarHBondContact O-N 2.92Å; D377-A381 WeakPolarHBondContact O-CB 3.29Å; D377-A381 PolarHBondContact O-N 3.17Å
378	L	92.2	Very high	89.7	Confident	54 Å²	54	54.4 Å²	54.4	28%	0.283	33%	0.327	S	S	.	.	H	α-helix	trans	-62.8	-40.6	174	-69.2	177.1	0	0	0	111.7	M355 C374 T382	M355-L378 HydrophobicContact CE-CD2 3.85Å; M355-L378 HydrophobicContact SD-CD2 3.77Å; C374-L378 WeakPolarHBondContact O-CB 3.48Å; C374-L378 VanDerWaalsContact O-CG 3.32Å; C374-L378 WeakPolarHBondContact O-CG 3.09Å; C374-L378 PolarHBondContact O-N 2.9Å; L378-T382 VanDerWaalsContact O-CB 3.28Å; L378-T382 WeakPolarHBondContact O-CB 3.47Å; L378-T382 PolarHBondContact O-N 3.29Å; L378-T382 PolarHBondContact O-OG1 3.18Å
379	S	91.6	Very high	89.7	Confident	73 Å²	73	46.6 Å²	46.6	51%	0.51	29%	0.291	S	S	.	.	H	α-helix	trans	-62.4	-51.2	175.6	179.9	0	0	0	0	111	A375 S376 D377 A381 T382 T383	A375-S379 WeakPolarHBondContact O-CB 3.32Å; A375-S379 PolarHBondContact O-N 2.88Å; S376-S379 PolarHBondContact O-N 3.09Å; D377-S379 VanDerWaalsContact C-N 3.34Å; D377-S379 PolarHBondContact O-N 2.93Å; S379-A381 PolarHBondContact O-N 3.01Å; S379-T382 WeakPolarHBondContact O-CB 3.28Å; S379-T382 PolarHBondContact O-N 2.69Å; S379-T382 VanDerWaalsContact O-N 3.16Å; S379-T383 PolarHBondContact O-N 3.17Å; S379-T383 PolarHBondContact O-OG1 3.16Å
380	K	92.1	Very high	89.8	Confident	112 Å²	112	42.2 Å²	42.2	49%	0.487	27%	0.268	S	S	.	.	H	α-helix	trans	-59.4	-44.7	177.1	-70.9	168.5	-173.5	164.1	0	112.2	L354 S376 D377 T382 T383 L384	L354-K380 HydrophobicContact CD1-CB 3.98Å; L354-K380 HydrophobicContact CD2-CB 3.99Å; L354-K380 HydrophobicContact CD2-CD 4.13Å; S376-K380 WeakPolarHBondContact O-CG 3.31Å; S376-K380 PolarHBondContact O-N 3.27Å; S376-K380 WeakPolarHBondContact OG-CE 3.1Å; S376-K380 PolarHBondContact OG-NZ 3.38Å; D377-K380 PolarHBondContact O-N 2.92Å; K380-T382 VanDerWaalsContact C-N 3.27Å; K380-T382 PolarHBondContact O-N 3.33Å; K380-T383 PolarHBondContact O-N 3.05Å; K380-L384 VanDerWaalsContact O-CB 3.3Å; K380-L384 WeakPolarHBondContact O-CB 3.46Å; K380-L384 PolarHBondContact O-N 3.38Å
381	A	92.4	Very high	89.8	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.1	-37.4	178.4	0	0	0	0	0	111.4	I351 L354 M355 D377 S379 A385	I351-A381 HydrophobicContact CG2-CB 4.39Å; L354-A381 HydrophobicContact CB-CB 3.91Å; L354-A381 HydrophobicContact CD1-CB 4.01Å; M355-A381 HydrophobicContact SD-CB 4.34Å; D377-A381 WeakPolarHBondContact O-CB 3.29Å; D377-A381 PolarHBondContact O-N 3.17Å; S379-A381 PolarHBondContact O-N 3.01Å; A381-A385 VanDerWaalsContact O-CB 3.23Å; A381-A385 WeakPolarHBondContact O-CB 3.32Å; A381-A385 PolarHBondContact O-N 3.37Å
382	T	90.9	Very high	90	Very high	31 Å²	31	49.1 Å²	49.1	19%	0.19	29%	0.288	C	S	.	.	H	α-helix	trans	-67.4	-50	176.8	-58.1	0	0	0	0	111.1	L378 S379 K380 L384 A385 L386 R415	L378-T382 VanDerWaalsContact O-CB 3.28Å; L378-T382 WeakPolarHBondContact O-CB 3.47Å; L378-T382 PolarHBondContact O-N 3.29Å; L378-T382 PolarHBondContact O-OG1 3.18Å; S379-T382 WeakPolarHBondContact O-CB 3.28Å; S379-T382 PolarHBondContact O-N 2.69Å; S379-T382 VanDerWaalsContact O-N 3.16Å; K380-T382 VanDerWaalsContact C-N 3.27Å; K380-T382 PolarHBondContact O-N 3.33Å; T382-L384 VanDerWaalsContact C-N 3.34Å; T382-L384 PolarHBondContact O-N 2.87Å; T382-A385 PolarHBondContact O-N 3.44Å; T382-L386 HydrophobicContact CG2-CD1 4.06Å; T382-L386 VanDerWaalsContact O-CG 3.29Å; T382-L386 WeakPolarHBondContact O-CG 3.42Å; T382-L386 PolarHBondContact O-N 3.39Å; T382-R415 PolarHBondContact OG1-NH1 2.99Å
383	T	90.5	Very high	90.1	Very high	72 Å²	72	44 Å²	44	44%	0.442	25%	0.253	S	S	.	.	H	α-helix	trans	-58.2	-46.9	176.9	-56.9	0	0	0	0	111.1	S379 K380 A385 L386 D387	S379-T383 PolarHBondContact O-N 3.17Å; S379-T383 PolarHBondContact O-OG1 3.16Å; K380-T383 PolarHBondContact O-N 3.05Å; T383-A385 PolarHBondContact O-N 3.03Å; T383-L386 WeakPolarHBondContact O-CB 3.41Å; T383-L386 PolarHBondContact O-N 2.79Å; T383-L386 VanDerWaalsContact O-N 3.13Å; T383-D387 PolarHBondContact O-N 3.38Å
384	L	91.6	Very high	90.3	Very high	37 Å²	37	44 Å²	44	19%	0.194	24%	0.242	C	C	.	.	H	α-helix	trans	-62.2	-44	179.8	-165.6	64.5	0	0	0	112.3	L347 I351 K380 T382 L386 D387 M388	L347-L384 HydrophobicContact CD2-CD1 3.57Å; L347-L384 HydrophobicContact CD2-CD2 4.36Å; L347-L384 HydrophobicContact CD2-CG 4.15Å; I351-L384 HydrophobicContact CG1-CB 4.48Å; I351-L384 HydrophobicContact CG1-CD2 3.89Å; I351-L384 HydrophobicContact CG1-CG 4.38Å; K380-L384 VanDerWaalsContact O-CB 3.3Å; K380-L384 WeakPolarHBondContact O-CB 3.46Å; K380-L384 PolarHBondContact O-N 3.38Å; T382-L384 VanDerWaalsContact C-N 3.34Å; T382-L384 PolarHBondContact O-N 2.87Å; L384-L386 VanDerWaalsContact C-N 3.3Å; L384-L386 PolarHBondContact O-N 3.34Å; L384-D387 PolarHBondContact O-N 2.98Å; L384-M388 VanDerWaalsContact O-CG 3.26Å; L384-M388 WeakPolarHBondContact O-CG 3.43Å; L384-M388 PolarHBondContact O-N 3.47Å
385	A	90.6	Very high	90.1	Very high	8 Å²	8	44.7 Å²	44.7	7%	0.066	25%	0.247	C	C	.	.	H	α-helix	trans	-64	-35.8	175.8	0	0	0	0	0	112.1	I351 A381 T382 T383 V389	I351-A385 HydrophobicContact CD1-CB 3.98Å; A381-A385 VanDerWaalsContact O-CB 3.23Å; A381-A385 WeakPolarHBondContact O-CB 3.32Å; A381-A385 PolarHBondContact O-N 3.37Å; T382-A385 PolarHBondContact O-N 3.44Å; T383-A385 PolarHBondContact O-N 3.03Å; A385-V389 WeakPolarHBondContact O-CG2 3.5Å
386	L	89.2	Confident	89.9	Confident	26 Å²	26	48.6 Å²	48.6	14%	0.136	26%	0.259	C	S	.	.	H	α-helix	trans	-68.2	-44.6	174.6	-70.3	170.6	0	0	0	111.2	T382 T383 L384 M388 V389 Q390	T382-L386 HydrophobicContact CG2-CD1 4.06Å; T382-L386 VanDerWaalsContact O-CG 3.29Å; T382-L386 WeakPolarHBondContact O-CG 3.42Å; T382-L386 PolarHBondContact O-N 3.39Å; T383-L386 WeakPolarHBondContact O-CB 3.41Å; T383-L386 PolarHBondContact O-N 2.79Å; T383-L386 VanDerWaalsContact O-N 3.13Å; L384-L386 VanDerWaalsContact C-N 3.3Å; L384-L386 PolarHBondContact O-N 3.34Å; L386-M388 PolarHBondContact O-N 3.43Å; L386-V389 PolarHBondContact O-N 2.82Å; L386-Q390 WeakPolarHBondContact O-CB 3.47Å; L386-Q390 WeakPolarHBondContact O-CG 3.45Å; L386-Q390 PolarHBondContact O-N 3.46Å
387	D	89.9	Confident	89.7	Confident	44 Å²	44	52.5 Å²	52.5	24%	0.235	27%	0.268	C	S	.	.	H	α-helix	trans	-62.3	-42.2	178.8	-75.3	-28.6	0	0	0	112.7	T383 L384 V389 H391 Y392	T383-D387 PolarHBondContact O-N 3.38Å; L384-D387 PolarHBondContact O-N 2.98Å; D387-V389 PolarHBondContact O-N 3.12Å; D387-V389 VanDerWaalsContact O-N 3.09Å; D387-H391 WeakPolarHBondContact O-CB 3.34Å; D387-H391 PolarHBondContact O-N 3.04Å; D387-H391 IonicContact OD1-CE1 2.69Å; D387-H391 PolarHBondContact OD1-CE1 2.82Å; D387-H391 IonicContact OD1-ND1 3.21Å; D387-H391 PolarHBondContact OD1-ND1 2.97Å; D387-Y392 HydrophobicContact CB-CE2 4.17Å; D387-Y392 PolarHBondContact O-N 3.26Å; D387-Y392 VanDerWaalsContact O-N 3.08Å
388	M	90.9	Very high	89.2	Confident	8 Å²	8	52.6 Å²	52.6	4%	0.039	27%	0.269	C	S	.	.	H	α-helix	trans	-50.2	-36.4	172.3	-77.2	176.9	77.4	0	0	112.4	R344 L347 L348 I351 L384 L386 Y392 G393 M394	R344-M388 HydrophobicContact CG-CE 4.04Å; L347-M388 HydrophobicContact CB-CE 3.96Å; L347-M388 HydrophobicContact CB-CG 3.95Å; L347-M388 HydrophobicContact CB-SD 3.62Å; L347-M388 HydrophobicContact CD1-CG 3.69Å; L347-M388 HydrophobicContact CD1-SD 4.46Å; L347-M388 HydrophobicContact CG-CG 4.34Å; L348-M388 HydrophobicContact CD2-CE 3.82Å; L348-M388 HydrophobicContact CG-CE 3.86Å; I351-M388 HydrophobicContact CD1-SD 3.65Å; L384-M388 VanDerWaalsContact O-CG 3.26Å; L384-M388 WeakPolarHBondContact O-CG 3.43Å; L384-M388 PolarHBondContact O-N 3.47Å; L386-M388 PolarHBondContact O-N 3.43Å; M388-Y392 CarbonylContact O-C 3.57Å; M388-G393 PolarHBondContact O-N 3.23Å; M388-M394 HydrophobicContact CB-CB 4.37Å; M388-M394 HydrophobicContact CB-SD 4.44Å; M388-M394 HydrophobicContact CE-SD 4.19Å; M388-M394 HydrophobicContact CG-SD 4.2Å; M388-M394 WeakPolarHBondContact O-CA 3.49Å; M388-M394 VanDerWaalsContact O-CB 3.24Å; M388-M394 WeakPolarHBondContact O-CB 3.24Å; M388-M394 PolarHBondContact O-N 3.05Å
389	V	88.2	Confident	88.7	Confident	12 Å²	12	51 Å²	51	7%	0.073	27%	0.266	C	S	.	.	H	α-helix	trans	-93.5	-52.2	-175.7	-177.9	0	0	0	0	111.8	A385 L386 D387 G393 I398 M406 F411	A385-V389 WeakPolarHBondContact O-CG2 3.5Å; L386-V389 PolarHBondContact O-N 2.82Å; D387-V389 PolarHBondContact O-N 3.12Å; D387-V389 VanDerWaalsContact O-N 3.09Å; V389-G393 PolarHBondContact O-N 3.3Å; V389-I398 HydrophobicContact CG1-CD1 3.28Å; V389-I398 HydrophobicContact CG1-CG1 4.46Å; V389-M406 HydrophobicContact CG1-CE 3.89Å; V389-M406 HydrophobicContact CG1-SD 4.26Å; V389-F411 HydrophobicContact CG1-CD2 4.45Å; V389-F411 HydrophobicContact CG1-CE1 4.1Å; V389-F411 HydrophobicContact CG1-CE2 4Å; V389-F411 HydrophobicContact CG1-CZ 3.86Å; V389-F411 HydrophobicContact CG2-CD1 4.14Å; V389-F411 HydrophobicContact CG2-CE1 4.32Å; V389-F411 HydrophobicContact CG2-CG 4.45Å
390	Q	88	Confident	88.6	Confident	22 Å²	22	57.2 Å²	57.2	10%	0.103	28%	0.284	C	S	.	.	H	α-helix	trans	-71.7	-40.7	-173.1	-71.6	-176.8	22.5	0	0	112.6	L386 V402 I403 M406	L386-Q390 WeakPolarHBondContact O-CB 3.47Å; L386-Q390 WeakPolarHBondContact O-CG 3.45Å; L386-Q390 PolarHBondContact O-N 3.46Å; Q390-V402 CarbonylContact O-C 3.57Å; Q390-V402 WeakPolarHBondContact O-CA 3.33Å; Q390-V402 WeakPolarHBondContact O-CG1 3.5Å; Q390-I403 WeakPolarHBondContact CB-O 3.48Å; Q390-I403 PolarHBondContact O-N 3.11Å; Q390-M406 HydrophobicContact CG-CB 3.94Å; Q390-M406 HydrophobicContact CG-CE 3.87Å; Q390-M406 HydrophobicContact CG-CG 4.47Å; Q390-M406 HydrophobicContact CG-SD 3.74Å
391	H	88.7	Confident	88.4	Confident	91 Å²	91	58.7 Å²	58.7	42%	0.421	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-33.4	-171.8	-63.5	111.4	0	0	0	112	D387	D387-H391 WeakPolarHBondContact O-CB 3.34Å; D387-H391 PolarHBondContact O-N 3.04Å; D387-H391 IonicContact OD1-CE1 2.69Å; D387-H391 PolarHBondContact OD1-CE1 2.82Å; D387-H391 IonicContact OD1-ND1 3.21Å; D387-H391 PolarHBondContact OD1-ND1 2.97Å
392	Y	90.4	Very high	88.1	Confident	130 Å²	130	63.1 Å²	63.1	51%	0.51	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-7	-173	-49	-31.4	0	0	0	115.1	L347 D387 M388 M394	L347-Y392 HydrophobicContact CD1-CD2 3.91Å; L347-Y392 HydrophobicContact CD1-CE2 4.09Å; D387-Y392 HydrophobicContact CB-CE2 4.17Å; D387-Y392 PolarHBondContact O-N 3.26Å; D387-Y392 VanDerWaalsContact O-N 3.08Å; M388-Y392 CarbonylContact O-C 3.57Å; Y392-M394 HydrophobicContact CD2-CE 4.22Å; Y392-M394 HydrophobicContact CD2-SD 4.37Å; Y392-M394 HydrophobicContact CG-CE 4.37Å; Y392-M394 PolarHBondContact O-N 3.19Å
393	G	89.3	Confident	87.7	Confident	6 Å²	6	63.5 Å²	63.5	6%	0.062	31%	0.313	C	S	.	.			trans	61.8	27	178.4	0	0	0	0	0	114.4	M388 V389 S395	M388-G393 PolarHBondContact O-N 3.23Å; V389-G393 PolarHBondContact O-N 3.3Å; G393-S395 PolarHBondContact O-N 3.24Å
394	M	89.3	Confident	87.1	Confident	45 Å²	45	68.6 Å²	68.6	22%	0.222	33%	0.329	C	S	.	.			trans	-84.5	24.9	-175.3	-60.9	-177.8	173.6	0	0	114.1	R344 L347 M388 Y392	R344-M394 HydrophobicContact CB-CE 4.12Å; R344-M394 HydrophobicContact CB-CG 4.49Å; R344-M394 HydrophobicContact CB-SD 3.65Å; R344-M394 HydrophobicContact CG-CB 4.35Å; R344-M394 HydrophobicContact CG-CG 4.49Å; R344-M394 HydrophobicContact CG-SD 3.89Å; L347-M394 HydrophobicContact CD1-CE 3.74Å; L347-M394 HydrophobicContact CD1-SD 3.6Å; M388-M394 HydrophobicContact CB-CB 4.37Å; M388-M394 HydrophobicContact CB-SD 4.44Å; M388-M394 HydrophobicContact CE-SD 4.19Å; M388-M394 HydrophobicContact CG-SD 4.2Å; M388-M394 WeakPolarHBondContact O-CA 3.49Å; M388-M394 VanDerWaalsContact O-CB 3.24Å; M388-M394 WeakPolarHBondContact O-CB 3.24Å; M388-M394 PolarHBondContact O-N 3.05Å; Y392-M394 HydrophobicContact CD2-CE 4.22Å; Y392-M394 HydrophobicContact CD2-SD 4.37Å; Y392-M394 HydrophobicContact CG-CE 4.37Å; Y392-M394 PolarHBondContact O-N 3.19Å
395	S	85.3	Confident	86.2	Confident	21 Å²	21	74.5 Å²	74.5	15%	0.147	36%	0.361	C	S	.	.			trans	-117.8	118.6	176.3	-179.2	0	0	0	0	111.2	G393 K397 I398 G399	G393-S395 PolarHBondContact O-N 3.24Å; S395-K397 PolarHBondContact O-N 3.46Å; S395-K397 VanDerWaalsContact O-N 3.15Å; S395-I398 PolarHBondContact O-N 3.41Å; S395-I398 VanDerWaalsContact O-N 3.16Å; S395-G399 PolarHBondContact O-N 3.18Å
396	D	84.7	Confident	85.1	Confident	143 Å²	143	75.7 Å²	75.7	77%	0.765	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-26.5	179.4	-56.3	-36.3	0	0	0	112.6
397	K	85.2	Confident	84.1	Confident	145 Å²	145	79.3 Å²	79.3	63%	0.63	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-33.5	179.5	-65.8	-177.3	-178.8	175.8	0	113	S395 Y413	S395-K397 PolarHBondContact O-N 3.46Å; S395-K397 VanDerWaalsContact O-N 3.15Å; K397-Y413 PolarHBondContact NZ-OH 3Å
398	I	81.4	Confident	82.8	Confident	25 Å²	25	80.2 Å²	80.2	13%	0.128	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-40.6	179.8	-77.6	174.2	0	0	0	110.7	V389 S395 R401 I403 M406 F411	V389-I398 HydrophobicContact CG1-CD1 3.28Å; V389-I398 HydrophobicContact CG1-CG1 4.46Å; S395-I398 PolarHBondContact O-N 3.41Å; S395-I398 VanDerWaalsContact O-N 3.16Å; I398-R401 HydrophobicContact CG2-CG 3.99Å; I398-R401 PolarHBondContact O-NH1 2.82Å; I398-R401 PolarHBondContact O-NH2 3.36Å; I398-I403 HydrophobicContact CD1-CD1 3.96Å; I398-I403 HydrophobicContact CG1-CD1 4.48Å; I398-I403 HydrophobicContact CG2-CD1 3.6Å; I398-M406 HydrophobicContact CD1-CE 3.6Å; I398-F411 HydrophobicContact CD1-CE1 4.09Å; I398-F411 HydrophobicContact CD1-CE2 3.72Å; I398-F411 HydrophobicContact CD1-CZ 3.17Å; I398-F411 HydrophobicContact CG1-CZ 4.08Å
399	G	82.9	Confident	81.2	Confident	21 Å²	21	84.8 Å²	84.8	22%	0.216	42%	0.424	C	S	.	.			trans	84.8	-170.9	-173	0	0	0	0	0	113.6	S395 R401	S395-G399 PolarHBondContact O-N 3.18Å; G399-R401 PolarHBondContact O-N 3.29Å
400	F	89.7	Confident	79.6	Confident	203 Å²	203	88.3 Å²	88.3	89%	0.89	45%	0.445	S	S	*	.	S	Bend	trans	-85.4	69.4	-168.4	-45.3	-51.2	0	0	0	113
401	R	86.2	Confident	78.2	Confident	143 Å²	143	88.8 Å²	88.8	54%	0.54	45%	0.447	S	S	.	.			trans	-140	152.7	176.6	61.8	176.4	177.9	-96.1	-4.8	112	I398 G399 I403	I398-R401 HydrophobicContact CG2-CG 3.99Å; I398-R401 PolarHBondContact O-NH1 2.82Å; I398-R401 PolarHBondContact O-NH2 3.36Å; G399-R401 PolarHBondContact O-N 3.29Å; R401-I403 HydrophobicContact CG-CD1 4.5Å; R401-I403 HydrophobicContact CG-CG1 4.28Å
402	V	86.9	Confident	76.6	Confident	93 Å²	93	85.9 Å²	85.9	56%	0.564	44%	0.441	S	S	*	.			trans	-84.3	135.6	170.2	178.6	0	0	0	0	109.7	Q390	Q390-V402 CarbonylContact O-C 3.57Å; Q390-V402 WeakPolarHBondContact O-CA 3.33Å; Q390-V402 WeakPolarHBondContact O-CG1 3.5Å
403	I	83.3	Confident	75.1	Confident	39 Å²	39	86.9 Å²	86.9	20%	0.2	45%	0.445	C	S	.	.			trans	-124.5	113.1	176.5	-59.3	171.7	0	0	0	108.2	Q390 I398 R401 M406	Q390-I403 WeakPolarHBondContact CB-O 3.48Å; Q390-I403 PolarHBondContact O-N 3.11Å; I398-I403 HydrophobicContact CD1-CD1 3.96Å; I398-I403 HydrophobicContact CG1-CD1 4.48Å; I398-I403 HydrophobicContact CG2-CD1 3.6Å; R401-I403 HydrophobicContact CG-CD1 4.5Å; R401-I403 HydrophobicContact CG-CG1 4.28Å; I403-M406 HydrophobicContact CB-CE 3.82Å; I403-M406 HydrophobicContact CD1-CE 3.3Å; I403-M406 HydrophobicContact CG1-CE 4.12Å; I403-M406 HydrophobicContact CG2-CB 3.83Å; I403-M406 HydrophobicContact CG2-CE 3.85Å
404	K	78.1	Confident	74.1	Confident	178 Å²	178	88.2 Å²	88.2	77%	0.774	45%	0.454	S	S	*	.	S	Bend	trans	-80.2	-31.5	-172.9	-66.1	-175	176.1	-175.7	0	114.5
405	D	72.9	Confident	73.6	Confident	161 Å²	161	89.1 Å²	89.1	86%	0.861	45%	0.454	S	S	*	.	S	Bend	trans	-128	78.2	-174.3	-59.4	-52.6	0	0	0	109.7
406	M	67.3	Low	73.6	Confident	34 Å²	34	93.3 Å²	93.3	17%	0.167	48%	0.475	C	S	.	.			trans	-110.8	134.2	178.2	179.5	-169.2	-66.3	0	0	110.9	V389 Q390 I398 I403 S408 F411	V389-M406 HydrophobicContact CG1-CE 3.89Å; V389-M406 HydrophobicContact CG1-SD 4.26Å; Q390-M406 HydrophobicContact CG-CB 3.94Å; Q390-M406 HydrophobicContact CG-CE 3.87Å; Q390-M406 HydrophobicContact CG-CG 4.47Å; Q390-M406 HydrophobicContact CG-SD 3.74Å; I398-M406 HydrophobicContact CD1-CE 3.6Å; I403-M406 HydrophobicContact CB-CE 3.82Å; I403-M406 HydrophobicContact CD1-CE 3.3Å; I403-M406 HydrophobicContact CG1-CE 4.12Å; I403-M406 HydrophobicContact CG2-CB 3.83Å; I403-M406 HydrophobicContact CG2-CE 3.85Å; M406-S408 PolarHBondContact O-N 3.28Å; M406-F411 HydrophobicContact CE-CE2 4.02Å; M406-F411 HydrophobicContact CG-CE2 4.47Å; M406-F411 HydrophobicContact SD-CD2 3.61Å; M406-F411 HydrophobicContact SD-CE2 3.32Å; M406-F411 WeakPolarHBondContact SD-CE2 3.3Å; M406-F411 HydrophobicContact SD-CZ 4.45Å
407	D	66.5	Low	73.9	Confident	101 Å²	101	90.9 Å²	90.9	54%	0.54	46%	0.462	S	S	.	.			trans	-67.8	125	175.6	-167.3	-21.6	0	0	0	110.7	T409 V410	D407-T409 PolarHBondContact O-N 3.4Å; D407-T409 VanDerWaalsContact O-N 3.07Å; D407-T409 PolarHBondContact OD1-N 3.04Å; D407-T409 PolarHBondContact OD1-OG1 3.3Å; D407-T409 PolarHBondContact OD2-OG1 3.31Å; D407-V410 HydrophobicContact CB-CG2 4.06Å; D407-V410 WeakPolarHBondContact O-CG2 3.42Å; D407-V410 PolarHBondContact O-N 3.36Å; D407-V410 VanDerWaalsContact O-N 3.17Å
408	S	62.8	Low	74.2	Confident	63 Å²	63	84 Å²	84	44%	0.441	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-56.2	-23.3	-178.9	64.3	0	0	0	0	114	M406 V410	M406-S408 PolarHBondContact O-N 3.28Å; S408-V410 VanDerWaalsContact C-N 3.3Å; S408-V410 PolarHBondContact O-N 2.71Å
409	T	57.8	Low	74.8	Confident	105 Å²	105	84.3 Å²	84.3	64%	0.644	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-73.3	-16.5	-178.9	50.8	0	0	0	0	114.2	D407 F411	D407-T409 PolarHBondContact O-N 3.4Å; D407-T409 VanDerWaalsContact O-N 3.07Å; D407-T409 PolarHBondContact OD1-N 3.04Å; D407-T409 PolarHBondContact OD1-OG1 3.3Å; D407-T409 PolarHBondContact OD2-OG1 3.31Å; T409-F411 VanDerWaalsContact C-N 3.31Å; T409-F411 PolarHBondContact O-N 2.73Å
410	V	53.9	Low	75.3	Confident	86 Å²	86	88.6 Å²	88.6	52%	0.521	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-76.4	-14	-169.1	-177.5	0	0	0	0	113.4	D407 S408	D407-V410 HydrophobicContact CB-CG2 4.06Å; D407-V410 WeakPolarHBondContact O-CG2 3.42Å; D407-V410 PolarHBondContact O-N 3.36Å; D407-V410 VanDerWaalsContact O-N 3.17Å; S408-V410 VanDerWaalsContact C-N 3.3Å; S408-V410 PolarHBondContact O-N 2.71Å
411	F	59.6	Low	75.6	Confident	32 Å²	32	83.2 Å²	83.2	14%	0.14	42%	0.42	C	S	.	.			trans	-119.7	87.4	-176.2	-72.7	-82.8	0	0	0	113.6	V389 I398 M406 T409 R415	V389-F411 HydrophobicContact CG1-CD2 4.45Å; V389-F411 HydrophobicContact CG1-CE1 4.1Å; V389-F411 HydrophobicContact CG1-CE2 4Å; V389-F411 HydrophobicContact CG1-CZ 3.86Å; V389-F411 HydrophobicContact CG2-CD1 4.14Å; V389-F411 HydrophobicContact CG2-CE1 4.32Å; V389-F411 HydrophobicContact CG2-CG 4.45Å; I398-F411 HydrophobicContact CD1-CE1 4.09Å; I398-F411 HydrophobicContact CD1-CE2 3.72Å; I398-F411 HydrophobicContact CD1-CZ 3.17Å; I398-F411 HydrophobicContact CG1-CZ 4.08Å; M406-F411 HydrophobicContact CE-CE2 4.02Å; M406-F411 HydrophobicContact CG-CE2 4.47Å; M406-F411 HydrophobicContact SD-CD2 3.61Å; M406-F411 HydrophobicContact SD-CE2 3.32Å; M406-F411 WeakPolarHBondContact SD-CE2 3.3Å; M406-F411 HydrophobicContact SD-CZ 4.45Å; T409-F411 VanDerWaalsContact C-N 3.31Å; T409-F411 PolarHBondContact O-N 2.73Å; F411-R415 PolarHBondContact O-NH2 3.23Å; F411-R415 VanDerWaalsContact O-NH2 3.12Å
412	G	55	Low	76.1	Confident	29 Å²	29	76.4 Å²	76.4	30%	0.299	40%	0.395	S	S	.	.			trans	-84.8	-29.3	167.4	0	0	0	0	0	114.2	S414 R415	G412-S414 PolarHBondContact O-N 3.31Å; G412-R415 PolarHBondContact O-N 2.85Å
413	Y	58.1	Low	76.5	Confident	152 Å²	152	73.8 Å²	73.8	60%	0.596	38%	0.375	S	S	*	.	H	α-helix	trans	-58.8	-44.2	-164	-67.9	-84.5	0	0	0	115.3	K397 R415 D417	K397-Y413 PolarHBondContact NZ-OH 3Å; Y413-R415 PolarHBondContact O-N 3.48Å; Y413-D417 VanDerWaalsContact O-CG 3.26Å; Y413-D417 PolarHBondContact O-N 2.88Å
414	S	68.9	Low	77.2	Confident	34 Å²	34	74.7 Å²	74.7	24%	0.238	39%	0.385	C	S	.	.	H	α-helix	trans	-75.4	-22.5	-171.8	-168.6	0	0	0	0	114.1	G412 A418	G412-S414 PolarHBondContact O-N 3.31Å; S414-A418 WeakPolarHBondContact O-CB 3.29Å; S414-A418 PolarHBondContact O-N 3.43Å
415	R	79.1	Confident	78	Confident	64 Å²	64	67.7 Å²	67.7	24%	0.242	36%	0.356	C	S	.	.	H	α-helix	trans	-88	-42	-173.8	-70.5	178.3	-66.9	174.7	1.4	111.7	T382 F411 G412 Y413 A418 Y419	T382-R415 PolarHBondContact OG1-NH1 2.99Å; F411-R415 PolarHBondContact O-NH2 3.23Å; F411-R415 VanDerWaalsContact O-NH2 3.12Å; G412-R415 PolarHBondContact O-N 2.85Å; Y413-R415 PolarHBondContact O-N 3.48Å; R415-A418 PolarHBondContact O-N 3.49Å; R415-Y419 WeakPolarHBondContact O-CB 3.34Å; R415-Y419 PolarHBondContact O-N 3.32Å
416	D	86	Confident	79.2	Confident	109 Å²	109	60.1 Å²	60.1	58%	0.583	32%	0.315	S	S	*	.	H	α-helix	trans	-65.7	-42.1	176.9	-63.3	-21	0	0	0	110.6	A418 Y419 E420	D416-A418 VanDerWaalsContact C-N 3.32Å; D416-A418 PolarHBondContact O-N 3.34Å; D416-Y419 WeakPolarHBondContact O-CB 3.44Å; D416-Y419 PolarHBondContact O-N 3.03Å; D416-E420 PolarHBondContact O-N 3.46Å
417	D	89.7	Confident	80.5	Confident	92 Å²	92	64.4 Å²	64.4	49%	0.492	33%	0.333	S	S	.	.	H	α-helix	trans	-63.6	-39.1	174.8	-68.7	-17.1	0	0	0	111.8	Y413 E420 R421	Y413-D417 VanDerWaalsContact O-CG 3.26Å; Y413-D417 PolarHBondContact O-N 2.88Å; D417-E420 PolarHBondContact O-N 3.41Å; D417-R421 WeakPolarHBondContact O-CG 3.15Å; D417-R421 PolarHBondContact O-N 3.46Å; D417-R421 PolarHBondContact O-NH1 2.95Å
418	A	91.8	Very high	81.9	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-66.9	-40	176.1	0	0	0	0	0	112.1	I351 D352 M355 S414 R415 D416 R421 A422	I351-A418 HydrophobicContact CB-CB 4.37Å; I351-A418 HydrophobicContact CG2-CB 3.52Å; D352-A418 VanDerWaalsContact OD1-CA 3.23Å; D352-A418 WeakPolarHBondContact OD1-CA 3.49Å; D352-A418 WeakPolarHBondContact OD1-CB 3.19Å; M355-A418 HydrophobicContact CG-CB 3.92Å; S414-A418 WeakPolarHBondContact O-CB 3.29Å; S414-A418 PolarHBondContact O-N 3.43Å; R415-A418 PolarHBondContact O-N 3.49Å; D416-A418 VanDerWaalsContact C-N 3.32Å; D416-A418 PolarHBondContact O-N 3.34Å; A418-R421 PolarHBondContact O-N 2.84Å; A418-A422 WeakPolarHBondContact O-CB 3.34Å; A418-A422 PolarHBondContact O-N 3.18Å
419	Y	93.4	Very high	83.4	Confident	31 Å²	31	64.6 Å²	64.6	12%	0.122	33%	0.329	C	S	.	.	H	α-helix	trans	-59.4	-48	173.7	-178.9	-107.8	0	0	0	111.8	M355 R358 A359 D362 R415 D416 A422 K423	M355-Y419 HydrophobicContact CE-CD2 4.02Å; M355-Y419 HydrophobicContact CE-CG 4.32Å; R358-Y419 HydrophobicContact CG-CD2 4.44Å; R358-Y419 HydrophobicContact CG-CE2 3.88Å; A359-Y419 HydrophobicContact CB-CD2 4.02Å; A359-Y419 HydrophobicContact CB-CE2 3.73Å; D362-Y419 VanDerWaalsContact CB-OH 3.22Å; D362-Y419 WeakPolarHBondContact CB-OH 3.5Å; D362-Y419 PolarHBondContact OD2-OH 3.06Å; R415-Y419 WeakPolarHBondContact O-CB 3.34Å; R415-Y419 PolarHBondContact O-N 3.32Å; D416-Y419 WeakPolarHBondContact O-CB 3.44Å; D416-Y419 PolarHBondContact O-N 3.03Å; Y419-A422 PolarHBondContact O-N 3Å; Y419-K423 HydrophobicContact CE1-CD 4.13Å; Y419-K423 VanDerWaalsContact O-CB 3.28Å; Y419-K423 WeakPolarHBondContact O-CB 3.47Å; Y419-K423 PolarHBondContact O-N 3.36Å
420	E	94.9	Very high	85.1	Confident	111 Å²	111	62.3 Å²	62.3	52%	0.519	32%	0.321	S	S	.	.	H	α-helix	trans	-66.8	-36.8	178.2	-70.1	-57.2	142.6	0	0	112.4	D416 D417 K423 S424	D416-E420 PolarHBondContact O-N 3.46Å; D417-E420 PolarHBondContact O-N 3.41Å; E420-K423 PolarHBondContact O-N 2.99Å; E420-S424 VanDerWaalsContact O-CB 3.3Å; E420-S424 WeakPolarHBondContact O-CB 3.38Å; E420-S424 PolarHBondContact O-N 3.09Å
421	R	95.1	Very high	87	Confident	91 Å²	91	61.6 Å²	61.6	34%	0.343	32%	0.324	S	S	.	.	H	α-helix	trans	-61.7	-49.6	171.8	-78	-168	-60.8	-82.3	-1.3	111.7	D352 D417 A418 K423 S424 I425	D352-R421 VanDerWaalsContact CG-NE 3.32Å; D352-R421 IonicContact OD1-CZ 2.86Å; D352-R421 IonicContact OD1-NE 2.95Å; D352-R421 PolarHBondContact OD1-NE 3.08Å; D352-R421 IonicContact OD1-NH2 3.67Å; D352-R421 PolarHBondContact OD1-NH2 3.21Å; D352-R421 IonicContact OD2-CZ 3.2Å; D352-R421 IonicContact OD2-NE 3.82Å; D352-R421 PolarHBondContact OD2-NE 2.96Å; D352-R421 IonicContact OD2-NH2 2.68Å; D417-R421 WeakPolarHBondContact O-CG 3.15Å; D417-R421 PolarHBondContact O-N 3.46Å; D417-R421 PolarHBondContact O-NH1 2.95Å; A418-R421 PolarHBondContact O-N 2.84Å; R421-K423 VanDerWaalsContact C-N 3.34Å; R421-K423 PolarHBondContact O-N 2.99Å; R421-S424 WeakPolarHBondContact O-CB 3.42Å; R421-S424 PolarHBondContact O-N 3.3Å; R421-I425 WeakPolarHBondContact O-CG1 3.38Å; R421-I425 PolarHBondContact O-N 2.9Å
422	A	96.1	Very high	88.5	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-58.1	-47.2	177	0	0	0	0	0	111.1	V306 A356 A359 A418 Y419 S424 I425 L426	V306-A422 HydrophobicContact CG1-CB 4.4Å; V306-A422 HydrophobicContact CG2-CB 4.13Å; A356-A422 HydrophobicContact CB-CB 4.44Å; A359-A422 HydrophobicContact CB-CB 4.08Å; A418-A422 WeakPolarHBondContact O-CB 3.34Å; A418-A422 PolarHBondContact O-N 3.18Å; Y419-A422 PolarHBondContact O-N 3Å; A422-S424 VanDerWaalsContact C-N 3.33Å; A422-S424 PolarHBondContact O-N 3.36Å; A422-I425 PolarHBondContact O-N 3.36Å; A422-L426 VanDerWaalsContact O-CG 3.29Å; A422-L426 WeakPolarHBondContact O-CG 3.48Å; A422-L426 PolarHBondContact O-N 2.62Å
423	K	96.2	Very high	90.4	Very high	37 Å²	37	59.2 Å²	59.2	16%	0.161	31%	0.307	C	S	.	.	H	α-helix	trans	-60.9	-40.1	177.7	-162.5	170.6	-174.5	167.9	0	112.3	A359 D362 L363 Y419 E420 R421 K427	A359-K423 HydrophobicContact CB-CB 4.28Å; D362-K423 IonicContact OD2-NZ 2.67Å; D362-K423 PolarHBondContact OD2-NZ 3.36Å; L363-K423 HydrophobicContact CD1-CG 3.9Å; L363-K423 HydrophobicContact CD2-CD 4.28Å; L363-K423 HydrophobicContact CD2-CG 3.76Å; L363-K423 HydrophobicContact CG-CG 3.91Å; Y419-K423 HydrophobicContact CE1-CD 4.13Å; Y419-K423 VanDerWaalsContact O-CB 3.28Å; Y419-K423 WeakPolarHBondContact O-CB 3.47Å; Y419-K423 PolarHBondContact O-N 3.36Å; E420-K423 PolarHBondContact O-N 2.99Å; R421-K423 VanDerWaalsContact C-N 3.34Å; R421-K423 PolarHBondContact O-N 2.99Å; K423-K427 WeakPolarHBondContact O-CB 3.45Å; K423-K427 VanDerWaalsContact O-CG 3.3Å; K423-K427 WeakPolarHBondContact O-CG 3.23Å; K423-K427 PolarHBondContact O-N 3.42Å
424	S	97.1	Very high	92.1	Very high	59 Å²	59	57.3 Å²	57.3	41%	0.413	30%	0.301	S	S	.	.	H	α-helix	trans	-64.1	-46.8	175.3	-176.1	0	0	0	0	112.1	E420 R421 A422 L426 K427 N428	E420-S424 VanDerWaalsContact O-CB 3.3Å; E420-S424 WeakPolarHBondContact O-CB 3.38Å; E420-S424 PolarHBondContact O-N 3.09Å; R421-S424 WeakPolarHBondContact O-CB 3.42Å; R421-S424 PolarHBondContact O-N 3.3Å; A422-S424 VanDerWaalsContact C-N 3.33Å; A422-S424 PolarHBondContact O-N 3.36Å; S424-L426 VanDerWaalsContact C-N 3.34Å; S424-L426 PolarHBondContact O-N 3.3Å; S424-K427 PolarHBondContact O-N 3.02Å; S424-N428 WeakPolarHBondContact O-CB 2.79Å; S424-N428 PolarHBondContact O-N 2.98Å; S424-N428 PolarHBondContact O-ND2 3.41Å
425	I	96.5	Very high	93.3	Very high	31 Å²	31	57.4 Å²	57.4	16%	0.159	30%	0.297	C	S	.	.	H	α-helix	trans	-59.4	-46.1	177.2	-68.9	167.1	0	0	0	110.8	V306 F309 T310 R421 A422 N428 N429	V306-I425 HydrophobicContact CG1-CD1 4.29Å; V306-I425 HydrophobicContact CG2-CB 4.41Å; V306-I425 HydrophobicContact CG2-CG2 4.2Å; F309-I425 HydrophobicContact CB-CG2 3.79Å; F309-I425 HydrophobicContact CD2-CG2 4.03Å; F309-I425 HydrophobicContact CG-CG2 4.29Å; T310-I425 WeakPolarHBondContact OG1-CD1 3.11Å; R421-I425 WeakPolarHBondContact O-CG1 3.38Å; R421-I425 PolarHBondContact O-N 2.9Å; A422-I425 PolarHBondContact O-N 3.36Å; I425-N428 PolarHBondContact O-N 3.39Å; I425-N429 WeakPolarHBondContact O-CB 3.25Å; I425-N429 PolarHBondContact O-N 3.46Å; I425-N429 VanDerWaalsContact O-N 3.13Å; I425-N429 PolarHBondContact O-ND2 2.93Å
426	L	96.5	Very high	94	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-65.3	-43.1	179.4	-67.1	174.6	0	0	0	112.2	L305 V306 A359 A360 L363 A422 S424 N429 A430	L305-L426 HydrophobicContact CB-CD2 4.14Å; L305-L426 HydrophobicContact CD2-CD2 3.97Å; V306-L426 HydrophobicContact CG2-CD1 4.41Å; V306-L426 HydrophobicContact CG2-CD2 3.94Å; V306-L426 HydrophobicContact CG2-CG 3.91Å; A359-L426 HydrophobicContact CB-CD1 3.98Å; A360-L426 HydrophobicContact CB-CD1 3.82Å; L363-L426 HydrophobicContact CD1-CB 3.59Å; L363-L426 HydrophobicContact CD1-CD1 4.17Å; A422-L426 VanDerWaalsContact O-CG 3.29Å; A422-L426 WeakPolarHBondContact O-CG 3.48Å; A422-L426 PolarHBondContact O-N 2.62Å; S424-L426 VanDerWaalsContact C-N 3.34Å; S424-L426 PolarHBondContact O-N 3.3Å; L426-N429 CarbonylContact O-C 3.27Å; L426-N429 VanDerWaalsContact O-C 3.27Å; L426-N429 PolarHBondContact O-N 3.17Å; L426-A430 WeakPolarHBondContact O-CA 3.47Å; L426-A430 PolarHBondContact O-N 2.93Å
427	K	95.9	Very high	94.4	Very high	124 Å²	124	49.2 Å²	49.2	54%	0.539	26%	0.258	S	S	.	.	H	α-helix	trans	-60.5	-45.7	175.3	-78	178.4	-178.5	179.7	0	112.1	L363 K423 S424 N429 A430	L363-K427 HydrophobicContact CD1-CG 4.09Å; L363-K427 HydrophobicContact CD2-CD 4.25Å; L363-K427 VanDerWaalsContact CD2-CE 3.43Å; L363-K427 HydrophobicContact CD2-CG 3.84Å; K423-K427 WeakPolarHBondContact O-CB 3.45Å; K423-K427 VanDerWaalsContact O-CG 3.3Å; K423-K427 WeakPolarHBondContact O-CG 3.23Å; K423-K427 PolarHBondContact O-N 3.42Å; S424-K427 PolarHBondContact O-N 3.02Å; K427-N429 PolarHBondContact O-N 3.37Å; K427-A430 PolarHBondContact O-N 2.92Å
428	N	96.1	Very high	94.5	Very high	125 Å²	125	48.5 Å²	48.5	67%	0.668	25%	0.251	S	S	*	.	H	α-helix	trans	-66.1	-22.2	179.8	-67.9	-23.8	0	0	0	112.4	S424 I425	S424-N428 WeakPolarHBondContact O-CB 2.79Å; S424-N428 PolarHBondContact O-N 2.98Å; S424-N428 PolarHBondContact O-ND2 3.41Å; I425-N428 PolarHBondContact O-N 3.39Å
429	N	94.6	Very high	94.6	Very high	43 Å²	43	48.5 Å²	48.5	23%	0.23	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120	28.7	-178.2	-62.2	-76.4	0	0	0	112.9	L305 F309 I425 L426 K427 A431 A432 H433	L305-N429 HydrophobicContact CD2-CB 3.71Å; L305-N429 HydrophobicContact CG-CB 4.4Å; F309-N429 HydrophobicContact CD2-CB 4.42Å; F309-N429 HydrophobicContact CE2-CB 3.81Å; F309-N429 WeakPolarHBondContact CE2-OD1 3.46Å; F309-N429 HydrophobicContact CZ-CB 4.42Å; F309-N429 VanDerWaalsContact CZ-OD1 3.23Å; F309-N429 WeakPolarHBondContact CZ-OD1 3.27Å; I425-N429 WeakPolarHBondContact O-CB 3.25Å; I425-N429 PolarHBondContact O-N 3.46Å; I425-N429 VanDerWaalsContact O-N 3.13Å; I425-N429 PolarHBondContact O-ND2 2.93Å; L426-N429 CarbonylContact O-C 3.27Å; L426-N429 VanDerWaalsContact O-C 3.27Å; L426-N429 PolarHBondContact O-N 3.17Å; K427-N429 PolarHBondContact O-N 3.37Å; N429-A431 PolarHBondContact O-N 3.37Å; N429-A431 VanDerWaalsContact O-N 3.12Å; N429-A432 HydrophobicContact CB-CB 4.37Å; N429-A432 WeakPolarHBondContact O-CA 3.12Å; N429-A432 WeakPolarHBondContact O-CB 3.31Å; N429-A432 PolarHBondContact O-N 3.08Å; N429-H433 PolarHBondContact O-N 3.37Å
430	A	93.5	Very high	94.5	Very high	57 Å²	57	47 Å²	47	47%	0.471	25%	0.245	S	C	.	.	H	α-helix	trans	-56.1	-35.1	-172.9	0	0	0	0	0	113.8	L426 K427 H433 K434	L426-A430 WeakPolarHBondContact O-CA 3.47Å; L426-A430 PolarHBondContact O-N 2.93Å; K427-A430 PolarHBondContact O-N 2.92Å; A430-H433 PolarHBondContact O-N 3.1Å; A430-K434 WeakPolarHBondContact O-CB 3.29Å; A430-K434 PolarHBondContact O-N 3.44Å
431	A	92.1	Very high	94.3	Very high	71 Å²	71	45.1 Å²	45.1	59%	0.587	24%	0.239	S	C	*	.	H	α-helix	trans	-68.6	-35.9	175.7	0	0	0	0	0	112.9	N429 R435	N429-A431 PolarHBondContact O-N 3.37Å; N429-A431 VanDerWaalsContact O-N 3.12Å; A431-R435 WeakPolarHBondContact O-CG 3.41Å; A431-R435 PolarHBondContact O-N 2.87Å; A431-R435 PolarHBondContact O-NE 3.36Å; A431-R435 VanDerWaalsContact O-NE 3.09Å
432	A	92.7	Very high	94	Very high	5 Å²	5	46.5 Å²	46.5	4%	0.041	25%	0.247	C	C	.	.	H	α-helix	trans	-71	-43.8	173.1	0	0	0	0	0	110.9	L305 N429 K434 R435 V436	L305-A432 HydrophobicContact CD1-CB 3.94Å; L305-A432 HydrophobicContact CD2-CB 4.39Å; N429-A432 HydrophobicContact CB-CB 4.37Å; N429-A432 WeakPolarHBondContact O-CA 3.12Å; N429-A432 WeakPolarHBondContact O-CB 3.31Å; N429-A432 PolarHBondContact O-N 3.08Å; A432-K434 VanDerWaalsContact C-N 3.32Å; A432-K434 PolarHBondContact O-N 3.47Å; A432-R435 PolarHBondContact O-N 3.36Å; A432-V436 WeakPolarHBondContact O-CG2 3.46Å; A432-V436 PolarHBondContact O-N 2.95Å
433	H	94.6	Very high	93.7	Very high	7 Å²	7	50 Å²	50	3%	0.032	26%	0.261	C	S	.	.	H	α-helix	trans	-54.3	-48.3	176.1	-174.2	-150.3	0	0	0	111.9	Y298 L305 N429 A430 V436 A437	Y298-H433 AromaticContact CD1-CE1 3.72Å; Y298-H433 AromaticContact CD1-NE2 3.83Å; Y298-H433 PolarHBondContact O-NE2 3.2Å; L305-H433 HydrophobicContact CD2-CB 3.67Å; N429-H433 PolarHBondContact O-N 3.37Å; A430-H433 PolarHBondContact O-N 3.1Å; H433-V436 PolarHBondContact O-N 3.25Å; H433-A437 WeakPolarHBondContact O-CB 3.32Å; H433-A437 PolarHBondContact O-N 2.67Å
434	K	93.9	Very high	93.3	Very high	111 Å²	111	53.2 Å²	53.2	48%	0.483	28%	0.276	S	S	.	.	H	α-helix	trans	-61.6	-46.8	176.4	-177.8	176	172.8	-178	0	112.7	A430 A432 V436 A437 E438	A430-K434 WeakPolarHBondContact O-CB 3.29Å; A430-K434 PolarHBondContact O-N 3.44Å; A432-K434 VanDerWaalsContact C-N 3.32Å; A432-K434 PolarHBondContact O-N 3.47Å; K434-V436 PolarHBondContact O-N 2.67Å; K434-A437 PolarHBondContact O-N 3.44Å; K434-E438 WeakPolarHBondContact CE-OE1 3.45Å; K434-E438 HydrophobicContact CG-CG 4.4Å; K434-E438 IonicContact NZ-OE1 3.81Å; K434-E438 WeakPolarHBondContact O-CB 3.5Å; K434-E438 WeakPolarHBondContact O-CG 3.32Å; K434-E438 PolarHBondContact O-N 2.96Å
435	R	93.8	Very high	92.9	Very high	37 Å²	37	51.4 Å²	51.4	14%	0.14	26%	0.263	C	S	.	.	H	α-helix	trans	-60.4	-43.2	179	-77	177.9	-69.1	154.7	8.6	112.1	A431 A432 E438 A439 I454 I455 N457	A431-R435 WeakPolarHBondContact O-CG 3.41Å; A431-R435 PolarHBondContact O-N 2.87Å; A431-R435 PolarHBondContact O-NE 3.36Å; A431-R435 VanDerWaalsContact O-NE 3.09Å; A432-R435 PolarHBondContact O-N 3.36Å; R435-E438 PolarHBondContact O-N 2.88Å; R435-A439 VanDerWaalsContact O-CB 3.32Å; R435-A439 WeakPolarHBondContact O-CB 3.47Å; R435-A439 PolarHBondContact O-N 2.82Å; R435-I454 HydrophobicContact CB-CG2 3.77Å; R435-I454 VanDerWaalsContact CZ-O 3.32Å; R435-I454 PolarHBondContact NH1-O 2.68Å; R435-I455 PolarHBondContact NH2-O 3.18Å; R435-N457 PolarHBondContact NH1-O 3.39Å
436	V	93.8	Very high	92.5	Very high	1 Å²	1	50 Å²	50	1%	0.006	26%	0.255	C	S	.	.	H	α-helix	trans	-64.7	-45.1	177.6	175.7	0	0	0	0	110.9	A301 A432 H433 K434 E438 A439 L440 L446 L451 I454 I455	A301-V436 HydrophobicContact CB-CB 4.02Å; A301-V436 HydrophobicContact CB-CG1 3.65Å; A432-V436 WeakPolarHBondContact O-CG2 3.46Å; A432-V436 PolarHBondContact O-N 2.95Å; H433-V436 PolarHBondContact O-N 3.25Å; K434-V436 PolarHBondContact O-N 2.67Å; V436-E438 PolarHBondContact O-N 3.27Å; V436-A439 PolarHBondContact O-N 3.43Å; V436-L440 HydrophobicContact CG1-CD1 4.22Å; V436-L440 WeakPolarHBondContact O-CG 3.36Å; V436-L440 PolarHBondContact O-N 3.27Å; V436-L446 HydrophobicContact CG1-CD1 4.22Å; V436-L451 HydrophobicContact CG1-CD2 3.65Å; V436-L451 HydrophobicContact CG2-CD2 4.4Å; V436-I454 HydrophobicContact CG2-CB 4.47Å; V436-I454 HydrophobicContact CG2-CG2 3.76Å; V436-I455 HydrophobicContact CG2-CG1 3.93Å
437	A	93.9	Very high	92.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62.8	-42.1	177.7	0	0	0	0	0	112.5	A297 Y298 A301 H433 K434 L440 L441	A297-A437 HydrophobicContact CB-CB 4.43Å; Y298-A437 HydrophobicContact CD1-CB 3.6Å; Y298-A437 HydrophobicContact CD2-CB 4.2Å; Y298-A437 HydrophobicContact CE1-CB 3.67Å; Y298-A437 HydrophobicContact CE2-CB 4.23Å; Y298-A437 HydrophobicContact CG-CB 3.9Å; A301-A437 HydrophobicContact CB-CB 4.04Å; H433-A437 WeakPolarHBondContact O-CB 3.32Å; H433-A437 PolarHBondContact O-N 2.67Å; K434-A437 PolarHBondContact O-N 3.44Å; A437-L440 PolarHBondContact O-N 3.31Å; A437-L441 WeakPolarHBondContact O-CG 3.28Å; A437-L441 PolarHBondContact O-N 3.49Å
438	E	93	Very high	91.6	Very high	76 Å²	76	48.3 Å²	48.3	36%	0.355	26%	0.258	S	S	.	.	H	α-helix	trans	-66	-39.3	176	-73.4	175.3	169.1	0	0	112.1	K434 R435 V436 L441 K442	K434-E438 WeakPolarHBondContact CE-OE1 3.45Å; K434-E438 HydrophobicContact CG-CG 4.4Å; K434-E438 IonicContact NZ-OE1 3.81Å; K434-E438 WeakPolarHBondContact O-CB 3.5Å; K434-E438 WeakPolarHBondContact O-CG 3.32Å; K434-E438 PolarHBondContact O-N 2.96Å; R435-E438 PolarHBondContact O-N 2.88Å; V436-E438 PolarHBondContact O-N 3.27Å; E438-L441 PolarHBondContact O-N 3.27Å; E438-K442 PolarHBondContact O-N 2.87Å
439	A	91.9	Very high	91.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64.7	-39.2	173.7	0	0	0	0	0	111.8	R435 V436 K442 Y443 L446 I454 P461	R435-A439 VanDerWaalsContact O-CB 3.32Å; R435-A439 WeakPolarHBondContact O-CB 3.47Å; R435-A439 PolarHBondContact O-N 2.82Å; V436-A439 PolarHBondContact O-N 3.43Å; A439-K442 PolarHBondContact O-N 3.16Å; A439-Y443 HydrophobicContact CB-CD2 4.23Å; A439-Y443 HydrophobicContact CB-CE2 4.45Å; A439-Y443 VanDerWaalsContact O-CD2 3.24Å; A439-Y443 WeakPolarHBondContact O-CD2 3.15Å; A439-Y443 PolarHBondContact O-N 3.42Å; A439-L446 HydrophobicContact CB-CD1 3.92Å; A439-L446 HydrophobicContact CB-CD2 4.19Å; A439-I454 HydrophobicContact CB-CD1 3.51Å; A439-I454 HydrophobicContact CB-CG1 4.45Å; A439-P461 HydrophobicContact CB-CB 4.19Å
440	L	92.3	Very high	90.8	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.2	-40.8	173.1	-75.8	168.2	0	0	0	112.1	A297 E300 A301 V319 I321 V436 A437 K442 E444 L446	A297-L440 HydrophobicContact CB-CB 4.17Å; E300-L440 HydrophobicContact CB-CD1 4.27Å; A301-L440 HydrophobicContact CB-CD1 4.2Å; V319-L440 HydrophobicContact CB-CD2 4.1Å; V319-L440 HydrophobicContact CG1-CD1 3.73Å; V319-L440 HydrophobicContact CG1-CD2 3.7Å; V319-L440 HydrophobicContact CG1-CG 4.35Å; I321-L440 VanDerWaalsContact CD1-O 3.32Å; I321-L440 WeakPolarHBondContact CD1-O 3.24Å; I321-L440 HydrophobicContact CG2-CB 4.08Å; I321-L440 HydrophobicContact CG2-CD1 4.33Å; I321-L440 HydrophobicContact CG2-CD2 4.41Å; V436-L440 HydrophobicContact CG1-CD1 4.22Å; V436-L440 WeakPolarHBondContact O-CG 3.36Å; V436-L440 PolarHBondContact O-N 3.27Å; A437-L440 PolarHBondContact O-N 3.31Å; L440-K442 PolarHBondContact O-N 3.15Å; L440-E444 WeakPolarHBondContact O-CA 3.2Å; L440-E444 PolarHBondContact O-N 3.46Å; L440-L446 HydrophobicContact CD2-CB 4.34Å; L440-L446 HydrophobicContact CD2-CD1 3.84Å; L440-L446 HydrophobicContact CD2-CG 3.77Å; L440-L446 HydrophobicContact CG-CD1 3.75Å; L440-L446 HydrophobicContact CG-CG 4.21Å
441	L	91.3	Very high	90.5	Very high	72 Å²	72	44.5 Å²	44.5	38%	0.377	23%	0.229	S	C	.	.	H	α-helix	trans	-65.6	-28.5	175.6	-72.2	170.1	0	0	0	112.9	N293 R294 A297 I321 A437 E438	N293-L441 HydrophobicContact CB-CD2 4.3Å; R294-L441 HydrophobicContact CB-CD1 4.47Å; R294-L441 HydrophobicContact CG-CD1 4.41Å; A297-L441 HydrophobicContact CB-CD1 4.39Å; A297-L441 HydrophobicContact CB-CD2 3.91Å; A297-L441 HydrophobicContact CB-CG 3.75Å; I321-L441 HydrophobicContact CD1-CD2 4.16Å; A437-L441 WeakPolarHBondContact O-CG 3.28Å; A437-L441 PolarHBondContact O-N 3.49Å; E438-L441 PolarHBondContact O-N 3.27Å
442	K	89.2	Confident	90.3	Very high	119 Å²	119	46 Å²	46	52%	0.517	22%	0.222	S	C	.	.	H	α-helix	trans	-84.6	-44.7	180	-173.8	179.6	178.6	-168.7	0	113.2	E438 A439 L440	E438-K442 PolarHBondContact O-N 2.87Å; A439-K442 PolarHBondContact O-N 3.16Å; L440-K442 PolarHBondContact O-N 3.15Å
443	Y	88.6	Confident	90.1	Very high	73 Å²	73	47.6 Å²	47.6	29%	0.286	23%	0.232	S	C	.	.	H	α-helix	trans	-106.8	-6.8	-172.1	-56.6	-66.7	0	0	0	113.7	A439 T445 L446 L463	A439-Y443 HydrophobicContact CB-CD2 4.23Å; A439-Y443 HydrophobicContact CB-CE2 4.45Å; A439-Y443 VanDerWaalsContact O-CD2 3.24Å; A439-Y443 WeakPolarHBondContact O-CD2 3.15Å; A439-Y443 PolarHBondContact O-N 3.42Å; Y443-T445 PolarHBondContact O-N 3.25Å; Y443-L446 HydrophobicContact CD2-CD2 4.05Å; Y443-L463 HydrophobicContact CD1-CD1 4.36Å; Y443-L463 HydrophobicContact CD2-CD1 3.89Å; Y443-L463 HydrophobicContact CD2-CG 4.28Å; Y443-L463 HydrophobicContact CE1-CD1 4.34Å; Y443-L463 HydrophobicContact CE2-CD1 3.86Å; Y443-L463 HydrophobicContact CE2-CG 3.82Å; Y443-L463 HydrophobicContact CG-CD1 4.15Å
444	E	88.1	Confident	89.8	Confident	106 Å²	106	47.4 Å²	47.4	50%	0.495	23%	0.231	S	C	.	.	S	Bend	trans	63.6	-30.3	-177.8	-54.3	177.2	144.8	0	0	115.2	T320 I321 L322 L440	T320-E444 CarbonylContact C-O 3.44Å; T320-E444 WeakPolarHBondContact CA-O 3.23Å; T320-E444 PolarHBondContact OG1-O 2.85Å; I321-E444 HydrophobicContact CG1-CB 4.35Å; I321-E444 WeakPolarHBondContact CG1-O 3.25Å; I321-E444 PolarHBondContact N-O 3.42Å; L322-E444 HydrophobicContact CD2-CB 4.15Å; L322-E444 HydrophobicContact CG-CB 4.35Å; L440-E444 WeakPolarHBondContact O-CA 3.2Å; L440-E444 PolarHBondContact O-N 3.46Å
445	T	87.8	Confident	89.5	Confident	21 Å²	21	42.9 Å²	42.9	13%	0.129	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	131.8	-177	-57.4	0	0	0	0	111	R318 V319 T320 Y443	R318-T445 HydrophobicContact CG-CG2 3.9Å; V319-T445 CarbonylContact O-C 3.53Å; V319-T445 VanDerWaalsContact O-CA 3.25Å; V319-T445 WeakPolarHBondContact O-CA 3.22Å; T320-T445 WeakPolarHBondContact CB-OG1 3.4Å; T320-T445 PolarHBondContact OG1-OG1 2.6Å; Y443-T445 PolarHBondContact O-N 3.25Å
446	L	89.6	Confident	89.2	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	137.3	176.7	-57.7	176.1	0	0	0	109.7	R318 V319 V436 A439 L440 Y443 D450 L451 I454	R318-L446 CarbonylContact C-O 3.46Å; R318-L446 WeakPolarHBondContact CA-O 3.38Å; R318-L446 VanDerWaalsContact CG-O 3.3Å; R318-L446 WeakPolarHBondContact CG-O 2.9Å; V319-L446 PolarHBondContact N-O 3.5Å; V319-L446 PolarHBondContact O-N 2.78Å; V436-L446 HydrophobicContact CG1-CD1 4.22Å; A439-L446 HydrophobicContact CB-CD1 3.92Å; A439-L446 HydrophobicContact CB-CD2 4.19Å; L440-L446 HydrophobicContact CD2-CB 4.34Å; L440-L446 HydrophobicContact CD2-CD1 3.84Å; L440-L446 HydrophobicContact CD2-CG 3.77Å; L440-L446 HydrophobicContact CG-CD1 3.75Å; L440-L446 HydrophobicContact CG-CG 4.21Å; Y443-L446 HydrophobicContact CD2-CD2 4.05Å; L446-D450 HydrophobicContact CB-CB 4.06Å; L446-D450 HydrophobicContact CD2-CB 4.18Å; L446-L451 HydrophobicContact CB-CD2 4.23Å; L446-L451 HydrophobicContact CB-CG 4.11Å; L446-L451 HydrophobicContact CD1-CD2 3.95Å; L446-I454 HydrophobicContact CD1-CD1 3.77Å; L446-I454 HydrophobicContact CD2-CD1 3.96Å; L446-I454 HydrophobicContact CG-CD1 4.47Å
447	N	86.5	Confident	88.3	Confident	52 Å²	52	49.1 Å²	49.1	28%	0.278	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	179.2	171.4	68.5	24.9	0	0	0	111.6	H317 D449 D450 L451	H317-N447 CarbonylContact O-C 3.49Å; N447-D449 VanDerWaalsContact C-N 3.31Å; N447-D449 PolarHBondContact O-N 2.95Å; N447-D449 PolarHBondContact OD1-N 3.39Å; N447-D449 VanDerWaalsContact OD1-N 3.11Å; N447-D450 VanDerWaalsContact CG-OD2 3.23Å; N447-D450 PolarHBondContact N-OD2 3.49Å; N447-D450 PolarHBondContact O-N 3.04Å; N447-D450 WeakPolarHBondContact OD1-CB 3.33Å; N447-D450 PolarHBondContact OD1-N 3.12Å; N447-D450 PolarHBondContact OD1-OD2 2.92Å; N447-D450 VanDerWaalsContact OD1-OD2 3.1Å; N447-L451 WeakPolarHBondContact O-CB 3.4Å; N447-L451 VanDerWaalsContact O-CG 3.31Å; N447-L451 WeakPolarHBondContact O-CG 3.32Å; N447-L451 PolarHBondContact O-N 3.47Å
448	A	86.7	Confident	87	Confident	38 Å²	38	57.8 Å²	57.8	31%	0.314	28%	0.282	S	S	.	.	H	α-helix	trans	-56.6	-42.1	179.7	0	0	0	0	0	113.2	V316 H317 L451 K452	V316-A448 VanDerWaalsContact O-CB 3.24Å; V316-A448 WeakPolarHBondContact O-CB 3.33Å; H317-A448 PolarHBondContact O-N 3.45Å; A448-L451 PolarHBondContact O-N 2.91Å; A448-K452 WeakPolarHBondContact O-CB 3.03Å; A448-K452 PolarHBondContact O-N 3Å
449	D	85.7	Confident	85.4	Confident	117 Å²	117	61.7 Å²	61.7	63%	0.626	31%	0.305	S	S	*	.	H	α-helix	trans	-71.1	-40.4	-179.1	-71	-25.2	0	0	0	111.9	N447 L451 K452 T453	N447-D449 VanDerWaalsContact C-N 3.31Å; N447-D449 PolarHBondContact O-N 2.95Å; N447-D449 PolarHBondContact OD1-N 3.39Å; N447-D449 VanDerWaalsContact OD1-N 3.11Å; D449-L451 VanDerWaalsContact C-N 3.34Å; D449-K452 PolarHBondContact O-N 3.09Å; D449-T453 VanDerWaalsContact O-CB 3.29Å; D449-T453 WeakPolarHBondContact O-CB 3.36Å; D449-T453 PolarHBondContact O-N 3.44Å; D449-T453 PolarHBondContact O-OG1 2.97Å
450	D	87.3	Confident	83.7	Confident	23 Å²	23	62.6 Å²	62.6	12%	0.123	32%	0.315	C	S	.	.	H	α-helix	trans	-57.8	-49.7	173.2	-65.7	-30.5	0	0	0	109.5	L446 N447 T453 I454 L463 R467	L446-D450 HydrophobicContact CB-CB 4.06Å; L446-D450 HydrophobicContact CD2-CB 4.18Å; N447-D450 VanDerWaalsContact CG-OD2 3.23Å; N447-D450 PolarHBondContact N-OD2 3.49Å; N447-D450 PolarHBondContact O-N 3.04Å; N447-D450 WeakPolarHBondContact OD1-CB 3.33Å; N447-D450 PolarHBondContact OD1-N 3.12Å; N447-D450 PolarHBondContact OD1-OD2 2.92Å; N447-D450 VanDerWaalsContact OD1-OD2 3.1Å; D450-T453 PolarHBondContact O-N 2.98Å; D450-I454 WeakPolarHBondContact O-CB 3.47Å; D450-I454 WeakPolarHBondContact O-CD1 3.44Å; D450-I454 WeakPolarHBondContact O-CG1 3.43Å; D450-I454 PolarHBondContact O-N 3.43Å; D450-L463 HydrophobicContact CB-CD2 3.69Å; D450-L463 WeakPolarHBondContact OD1-CD2 3.38Å; D450-R467 IonicContact OD2-CZ 2.73Å; D450-R467 IonicContact OD2-NH2 2.85Å; D450-R467 PolarHBondContact OD2-NH2 3.26Å
451	L	87.9	Confident	82.1	Confident	5 Å²	5	64.3 Å²	64.3	3%	0.026	33%	0.326	C	S	.	.	H	α-helix	trans	-61.2	-49.3	178.8	-74.2	166.4	0	0	0	111.8	A304 V316 V319 V436 L446 N447 A448 D449 T453 I454 I455	A304-L451 HydrophobicContact CB-CD1 4.47Å; A304-L451 HydrophobicContact CB-CD2 4.27Å; V316-L451 HydrophobicContact CB-CD1 4Å; V316-L451 HydrophobicContact CG1-CD1 3.39Å; V319-L451 HydrophobicContact CB-CD1 4.44Å; V319-L451 HydrophobicContact CG2-CD1 3.58Å; V319-L451 HydrophobicContact CG2-CD2 4.27Å; V319-L451 HydrophobicContact CG2-CG 4.48Å; V436-L451 HydrophobicContact CG1-CD2 3.65Å; V436-L451 HydrophobicContact CG2-CD2 4.4Å; L446-L451 HydrophobicContact CB-CD2 4.23Å; L446-L451 HydrophobicContact CB-CG 4.11Å; L446-L451 HydrophobicContact CD1-CD2 3.95Å; N447-L451 WeakPolarHBondContact O-CB 3.4Å; N447-L451 VanDerWaalsContact O-CG 3.31Å; N447-L451 WeakPolarHBondContact O-CG 3.32Å; N447-L451 PolarHBondContact O-N 3.47Å; A448-L451 PolarHBondContact O-N 2.91Å; D449-L451 VanDerWaalsContact C-N 3.34Å; L451-T453 VanDerWaalsContact C-N 3.29Å; L451-T453 PolarHBondContact O-N 3.35Å; L451-I454 PolarHBondContact O-N 3.13Å; L451-I455 HydrophobicContact CB-CD1 4.49Å; L451-I455 WeakPolarHBondContact O-CB 3.47Å; L451-I455 WeakPolarHBondContact O-CD1 3.46Å; L451-I455 WeakPolarHBondContact O-CG1 3.36Å; L451-I455 PolarHBondContact O-N 2.96Å
452	K	88.6	Confident	80.5	Confident	102 Å²	102	67.4 Å²	67.4	44%	0.443	34%	0.338	S	S	.	.	H	α-helix	trans	-58.1	-46.4	178.1	-175.2	179	178.5	-177	0	110.7	F308 A448 D449 I454 I455 E456	F308-K452 HydrophobicContact CE2-CB 4.46Å; F308-K452 HydrophobicContact CE2-CG 4.32Å; A448-K452 WeakPolarHBondContact O-CB 3.03Å; A448-K452 PolarHBondContact O-N 3Å; D449-K452 PolarHBondContact O-N 3.09Å; K452-I454 PolarHBondContact O-N 3.26Å; K452-I455 PolarHBondContact O-N 2.87Å; K452-E456 WeakPolarHBondContact CE-OE1 3.43Å; K452-E456 HydrophobicContact CG-CG 4.37Å; K452-E456 WeakPolarHBondContact CG-OE1 3.41Å; K452-E456 VanDerWaalsContact O-CB 3.32Å; K452-E456 WeakPolarHBondContact O-CB 3.3Å; K452-E456 WeakPolarHBondContact O-CG 3.23Å; K452-E456 PolarHBondContact O-N 2.95Å
453	T	88.3	Confident	79	Confident	40 Å²	40	62.9 Å²	62.9	25%	0.245	32%	0.32	C	S	.	.	H	α-helix	trans	-59.1	-48.3	176.8	-56.6	0	0	0	0	110.9	D449 D450 L451 I455 E456 N457 L464	D449-T453 VanDerWaalsContact O-CB 3.29Å; D449-T453 WeakPolarHBondContact O-CB 3.36Å; D449-T453 PolarHBondContact O-N 3.44Å; D449-T453 PolarHBondContact O-OG1 2.97Å; D450-T453 PolarHBondContact O-N 2.98Å; L451-T453 VanDerWaalsContact C-N 3.29Å; L451-T453 PolarHBondContact O-N 3.35Å; T453-I455 PolarHBondContact O-N 3.21Å; T453-E456 PolarHBondContact O-N 3.44Å; T453-N457 HydrophobicContact CG2-CB 4.38Å; T453-N457 WeakPolarHBondContact O-CA 3.47Å; T453-N457 WeakPolarHBondContact O-CB 3.3Å; T453-N457 PolarHBondContact O-N 2.97Å; T453-L464 HydrophobicContact CG2-CD1 4.2Å; T453-L464 HydrophobicContact CG2-CG 4.49Å
454	I	88.3	Confident	77.4	Confident	3 Å²	3	66.1 Å²	66.1	2%	0.015	34%	0.341	C	S	.	.	H	α-helix	trans	-67.5	-38.3	-178.5	-67.6	159.4	0	0	0	112	R435 V436 A439 L446 D450 L451 K452 L463	R435-I454 HydrophobicContact CB-CG2 3.77Å; R435-I454 VanDerWaalsContact CZ-O 3.32Å; R435-I454 PolarHBondContact NH1-O 2.68Å; V436-I454 HydrophobicContact CG2-CB 4.47Å; V436-I454 HydrophobicContact CG2-CG2 3.76Å; A439-I454 HydrophobicContact CB-CD1 3.51Å; A439-I454 HydrophobicContact CB-CG1 4.45Å; L446-I454 HydrophobicContact CD1-CD1 3.77Å; L446-I454 HydrophobicContact CD2-CD1 3.96Å; L446-I454 HydrophobicContact CG-CD1 4.47Å; D450-I454 WeakPolarHBondContact O-CB 3.47Å; D450-I454 WeakPolarHBondContact O-CD1 3.44Å; D450-I454 WeakPolarHBondContact O-CG1 3.43Å; D450-I454 PolarHBondContact O-N 3.43Å; L451-I454 PolarHBondContact O-N 3.13Å; K452-I454 PolarHBondContact O-N 3.26Å; I454-L463 HydrophobicContact CD1-CD2 3.92Å; I454-L463 HydrophobicContact CG1-CD2 4.2Å
455	I	87.6	Confident	75.7	Confident	15 Å²	15	69.2 Å²	69.2	8%	0.077	35%	0.353	C	S	.	.	H	α-helix	trans	-66.6	-47.6	179.2	-68.5	166	0	0	0	109.7	L305 F308 F309 R435 V436 L451 K452 T453	L305-I455 HydrophobicContact CD1-CD1 3.89Å; L305-I455 HydrophobicContact CD1-CG1 3.83Å; L305-I455 HydrophobicContact CD1-CG2 4.38Å; F308-I455 HydrophobicContact CB-CD1 4.09Å; F308-I455 HydrophobicContact CD1-CD1 4.13Å; F308-I455 HydrophobicContact CD1-CG2 4.01Å; F308-I455 HydrophobicContact CD2-CD1 3.86Å; F308-I455 HydrophobicContact CE1-CG2 3.77Å; F308-I455 HydrophobicContact CE2-CD1 4.31Å; F308-I455 HydrophobicContact CG-CD1 3.76Å; F308-I455 HydrophobicContact CZ-CG2 4.26Å; F309-I455 HydrophobicContact CE2-CG2 4.33Å; F309-I455 HydrophobicContact CZ-CG2 3.93Å; R435-I455 PolarHBondContact NH2-O 3.18Å; V436-I455 HydrophobicContact CG2-CG1 3.93Å; L451-I455 HydrophobicContact CB-CD1 4.49Å; L451-I455 WeakPolarHBondContact O-CB 3.47Å; L451-I455 WeakPolarHBondContact O-CD1 3.46Å; L451-I455 WeakPolarHBondContact O-CG1 3.36Å; L451-I455 PolarHBondContact O-N 2.96Å; K452-I455 PolarHBondContact O-N 2.87Å; T453-I455 PolarHBondContact O-N 3.21Å
456	E	86.1	Confident	73.7	Confident	118 Å²	118	74.4 Å²	74.4	55%	0.551	39%	0.387	S	S	*	.	H	α-helix	trans	-77.4	-36.6	-177	-66.8	177.7	176.9	0	0	113.3	K452 T453 K458	K452-E456 WeakPolarHBondContact CE-OE1 3.43Å; K452-E456 HydrophobicContact CG-CG 4.37Å; K452-E456 WeakPolarHBondContact CG-OE1 3.41Å; K452-E456 VanDerWaalsContact O-CB 3.32Å; K452-E456 WeakPolarHBondContact O-CB 3.3Å; K452-E456 WeakPolarHBondContact O-CG 3.23Å; K452-E456 PolarHBondContact O-N 2.95Å; T453-E456 PolarHBondContact O-N 3.44Å; E456-K458 PolarHBondContact O-N 2.98Å
457	N	76.5	Confident	71.8	Confident	51 Å²	51	83.8 Å²	83.8	27%	0.273	42%	0.423	S	S	.	.			trans	-87.4	106.6	-169.5	-168.1	0.6	0	0	0	113.1	R435 T453 D459	R435-N457 PolarHBondContact NH1-O 3.39Å; T453-N457 HydrophobicContact CG2-CB 4.38Å; T453-N457 WeakPolarHBondContact O-CA 3.47Å; T453-N457 WeakPolarHBondContact O-CB 3.3Å; T453-N457 PolarHBondContact O-N 2.97Å; N457-D459 VanDerWaalsContact C-N 3.25Å; N457-D459 PolarHBondContact O-N 3.23Å; N457-D459 PolarHBondContact OD1-N 2.89Å
458	K	65.1	Low	71.1	Confident	183 Å²	183	85.4 Å²	85.4	80%	0.796	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-13.4	-174.3	-66.8	-176.3	-178.9	177.8	0	115	E456 G460	E456-K458 PolarHBondContact O-N 2.98Å; K458-G460 PolarHBondContact O-N 3.44Å
459	D	59.1	Low	70.2	Confident	157 Å²	157	87.9 Å²	87.9	84%	0.84	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	1.5	-167.5	-66.1	-29.3	0	0	0	115.4	N457	N457-D459 VanDerWaalsContact C-N 3.25Å; N457-D459 PolarHBondContact O-N 3.23Å; N457-D459 PolarHBondContact OD1-N 2.89Å
460	G	57.3	Low	69.4	Low	19 Å²	19	86.3 Å²	86.3	20%	0.196	43%	0.426	C	S	.	.			trans	144.2	177.2	169.5	0	0	0	0	0	114.5	K458 E462	K458-G460 PolarHBondContact O-N 3.44Å; G460-E462 PolarHBondContact O-N 3.5Å
461	P	57.6	Low	68.3	Low	36 Å²	36	90 Å²	90	23%	0.234	44%	0.443	C	S	.	.	S	Bend	trans	-79.9	9.2	177.7	34.3	-35.7	0	0	0	113.5	A439	A439-P461 HydrophobicContact CB-CB 4.19Å
462	E	59.2	Low	67.1	Low	137 Å²	137	95.3 Å²	95.3	64%	0.64	47%	0.47	S	S	*	.			trans	-77.7	127.9	-177.7	-66.2	-170.7	163.2	0	0	111.3	G460	G460-E462 PolarHBondContact O-N 3.5Å
463	L	58	Low	65.7	Low	25 Å²	25	94.9 Å²	94.9	13%	0.131	47%	0.471	C	S	.	.			trans	-75.6	142	173	-64.7	174.3	0	0	0	109.1	Y443 D450 I454 K465	Y443-L463 HydrophobicContact CD1-CD1 4.36Å; Y443-L463 HydrophobicContact CD2-CD1 3.89Å; Y443-L463 HydrophobicContact CD2-CG 4.28Å; Y443-L463 HydrophobicContact CE1-CD1 4.34Å; Y443-L463 HydrophobicContact CE2-CD1 3.86Å; Y443-L463 HydrophobicContact CE2-CG 3.82Å; Y443-L463 HydrophobicContact CG-CD1 4.15Å; D450-L463 HydrophobicContact CB-CD2 3.69Å; D450-L463 WeakPolarHBondContact OD1-CD2 3.38Å; I454-L463 HydrophobicContact CD1-CD2 3.92Å; I454-L463 HydrophobicContact CG1-CD2 4.2Å; L463-K465 PolarHBondContact O-N 3.41Å; L463-K465 VanDerWaalsContact O-N 3.15Å
464	L	53.2	Low	64	Low	141 Å²	141	98.8 Å²	98.8	74%	0.738	49%	0.487	S	S	*	.	S	Bend	trans	-66.3	-14.1	-179.8	-70.8	168	0	0	0	113.4	T453	T453-L464 HydrophobicContact CG2-CD1 4.2Å; T453-L464 HydrophobicContact CG2-CG 4.49Å
465	K	52.9	Low	62.2	Low	170 Å²	170	106.2 Å²	106.2	74%	0.739	52%	0.524	S	S	*	.	S	Bend	trans	-136.7	132.2	179	-64.7	-177.3	-179.5	178.4	0	110.9	L463	L463-K465 PolarHBondContact O-N 3.41Å; L463-K465 VanDerWaalsContact O-N 3.15Å
466	P	45.3	Very low	60.1	Low	131 Å²	131	113.8 Å²	113.8	85%	0.851	56%	0.561	S	S	*	*			trans	-69.2	148.9	165	27.7	-30.3	0	0	0	110.7
467	R	50.4	Low	57.7	Low	197 Å²	197	113.4 Å²	113.4	74%	0.743	56%	0.562	S	S	*	*			trans	-87.4	0	175.8	-74.2	-170.8	-178.6	-173.2	2.8	112.1	D450	D450-R467 IonicContact OD2-CZ 2.73Å; D450-R467 IonicContact OD2-NH2 2.85Å; D450-R467 PolarHBondContact OD2-NH2 3.26Å

Retrieved 467 of 467 residues in 287.5 ms (Link to these results)

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