A0A061HXU8_CRIGR Loading...

Ras-related GTP-binding protein

Guanine nucleotide-binding protein that plays a crucial role in the cellular response to amino acid availability through regulation of the mTORC1 signaling cascade.

AlphaFold DB , UniProt , Accession A0A061HXU8, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Rragb, Length 374 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	34.4	Very low	31.8	Very low	218 Å²	218	154.5 Å²	154.5	100%	1.074	78%	0.778	S	S	*	*				0	81.9	0	-68.4	169	167	0	0	105.2
2	E	29.8	Very low	31.9	Very low	165 Å²	165	157.9 Å²	157.9	77%	0.771	79%	0.785	S	S	*	*				69.3	134	75.4	-62.5	156.9	161.4	0	0	109.2
3	E	30.1	Very low	31.9	Very low	166 Å²	166	160.2 Å²	160.2	78%	0.776	79%	0.791	S	S	*	*			cis	-167.7	170	-0.9	-114	-158	-135.6	0	0	107.3
4	S	32.9	Very low	31.9	Very low	76 Å²	76	160.6 Å²	160.6	53%	0.531	80%	0.799	S	S	.	*			cis	-165.1	174.5	-12.1	34.9	0	0	0	0	109.1
5	D	33.7	Very low	32.1	Very low	153 Å²	153	162.4 Å²	162.4	82%	0.818	81%	0.811	S	S	*	*			trans	43.3	151.2	138.8	-69.9	-12.1	0	0	0	123
6	S	34.5	Very low	32.1	Very low	100 Å²	100	156.8 Å²	156.8	70%	0.699	81%	0.807	S	S	*	*			cis	-161.4	168	-0.1	44	0	0	0	0	107.8
7	E	30.8	Very low	32.5	Very low	143 Å²	143	155.6 Å²	155.6	67%	0.668	81%	0.812	S	S	*	*				-168.9	149.7	68.4	-80.6	-156.7	102.4	0	0	113.5
8	K	33.2	Very low	32.4	Very low	166 Å²	166	151.2 Å²	151.2	72%	0.722	81%	0.81	S	S	*	*			trans	24.3	143.2	135.9	-60.7	166.7	-164	139.3	0	119.2
9	K	31	Very low	32.3	Very low	195 Å²	195	150.9 Å²	150.9	85%	0.848	81%	0.814	S	S	*	*			cis	-164.3	162.3	39.3	-142.2	166.8	-172.6	-176.3	0	112.8
10	T	28.9	Very low	32.2	Very low	119 Å²	119	152.6 Å²	152.6	73%	0.73	82%	0.816	S	S	*	*			trans	-69.3	153.2	179.1	45.5	0	0	0	0	116
11	E	30.3	Very low	32.3	Very low	198 Å²	198	150.8 Å²	150.8	93%	0.925	81%	0.813	S	S	*	*				-159.1	164.4	118.5	-112.6	159.7	-157.3	0	0	113.3
12	K	33	Very low	32.3	Very low	196 Å²	196	146.6 Å²	146.6	85%	0.852	80%	0.802	S	S	*	*			trans	-115.2	150.9	-167.7	-63	172.9	175.1	177	0	111.5
13	E	32	Very low	32.4	Very low	187 Å²	187	147.2 Å²	147.2	87%	0.874	81%	0.81	S	S	*	*			trans	-167	112.3	141.5	-107.7	161.2	-163.8	0	0	108.6
14	N	31.6	Very low	32.3	Very low	167 Å²	167	143 Å²	143	89%	0.893	81%	0.811	S	S	*	*				75	122.2	83.5	-101.8	1.6	0	0	0	115.7
15	L	35.5	Very low	32.2	Very low	187 Å²	187	148.5 Å²	148.5	98%	0.979	83%	0.828	S	S	*	*			trans	-88.7	139.5	177.9	-79.3	147	0	0	0	111.4
16	G	32.1	Very low	32.1	Very low	73 Å²	73	147.3 Å²	147.3	75%	0.753	83%	0.829	S	S	*	*			trans	-157.4	148.9	169.4	0	0	0	0	0	110.8
17	P	37.9	Very low	32.1	Very low	136 Å²	136	152.1 Å²	152.1	88%	0.883	84%	0.84	S	S	*	*			trans	-113.4	153.3	-149	39.1	-31.5	0	0	0	116.8
18	G	30.9	Very low	32.3	Very low	76 Å²	76	149 Å²	149	78%	0.784	85%	0.846	S	S	*	*			trans	87.3	101.3	134.5	0	0	0	0	0	119.4
19	V	31.3	Very low	32.1	Very low	146 Å²	146	146.6 Å²	146.6	89%	0.885	85%	0.851	S	S	*	*			trans	-138.7	130.9	148.2	-177.3	0	0	0	0	108.5
20	Q	30.2	Very low	32.1	Very low	184 Å²	184	144.2 Å²	144.2	86%	0.86	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-82.4	140.9	175.5	-69.9	171	-29.2	0	0	111.2
21	P	34.2	Very low	32	Very low	116 Å²	116	141.9 Å²	141.9	75%	0.753	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-77.4	150.7	158.6	32.8	-31.4	0	0	0	110.6
22	P	33.7	Very low	31.8	Very low	129 Å²	129	142.3 Å²	142.3	84%	0.838	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-75.9	163.9	-171.5	30.4	-35.6	0	0	0	114.4
23	L	31.7	Very low	31.5	Very low	178 Å²	178	139.3 Å²	139.3	93%	0.932	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-60.1	145.9	-173.8	-64.9	123	0	0	0	113.8
24	G	28.8	Very low	31.3	Very low	78 Å²	78	137.7 Å²	137.7	80%	0.804	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-86.1	150.6	172.6	0	0	0	0	0	113.4
25	E	30.8	Very low	31.6	Very low	191 Å²	191	135.1 Å²	135.1	89%	0.893	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-92.7	156.3	163.5	-74.1	-169.5	158.3	0	0	110.6
26	P	32.4	Very low	32	Very low	129 Å²	129	131.3 Å²	131.3	84%	0.838	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-81.3	164.4	-160.7	31.7	-36.4	0	0	0	115.5
27	E	33.8	Very low	33.2	Very low	200 Å²	200	131.6 Å²	131.6	94%	0.935	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-53	152.6	176.8	-53.2	175.2	123	0	0	113.5
28	G	35.1	Very low	34.3	Very low	77 Å²	77	126.8 Å²	126.8	79%	0.794	77%	0.77	S	S	*	*			trans	174.4	6.5	168.6	0	0	0	0	0	123.1
29	S	28.5	Very low	36.6	Very low	116 Å²	116	126.8 Å²	126.8	81%	0.811	75%	0.751	S	S	*	*			trans	-164.3	73.2	168.2	57	0	0	0	0	114.4	G31	S29-G31 PolarHBondContact O-N 2.66Å; S29-G31 VanDerWaalsContact O-N 3.1Å
30	L	31.8	Very low	39.2	Very low	146 Å²	146	126.8 Å²	126.8	76%	0.764	74%	0.739	S	S	*	*			trans	-64.4	109.2	152	-109.5	79.9	0	0	0	107.3	W32	L30-W32 VanDerWaalsContact C-N 3.26Å; L30-W32 PolarHBondContact O-N 3.13Å
31	G	26.3	Very low	42.2	Very low	70 Å²	70	120.3 Å²	120.3	72%	0.722	71%	0.708	S	S	*	*			trans	-66.5	86.7	171.8	0	0	0	0	0	110.1	S29 T33	S29-G31 PolarHBondContact O-N 2.66Å; S29-G31 VanDerWaalsContact O-N 3.1Å; G31-T33 PolarHBondContact O-N 2.91Å
32	W	26.3	Very low	45.1	Very low	206 Å²	206	115.8 Å²	115.8	78%	0.78	68%	0.676	S	S	*	*			trans	-66.1	86.3	166.1	-69.5	93.7	0	0	0	108.7	L30 M34	L30-W32 VanDerWaalsContact C-N 3.26Å; L30-W32 PolarHBondContact O-N 3.13Å; W32-M34 PolarHBondContact O-N 3.38Å
33	T	26.8	Very low	48.1	Very low	133 Å²	133	109.9 Å²	109.9	82%	0.816	64%	0.637	S	S	*	*			trans	-63.1	86.1	155.5	30.8	0	0	0	0	107.6	G31	G31-T33 PolarHBondContact O-N 2.91Å
34	M	27.4	Very low	51.2	Low	153 Å²	153	101.4 Å²	101.4	75%	0.754	59%	0.593	S	S	*	*			trans	-49.2	125.2	168.9	-73.8	-68.2	-162.2	0	0	108	W32 N36	W32-M34 PolarHBondContact O-N 3.38Å; M34-N36 PolarHBondContact O-N 3.48Å
35	P	37.6	Very low	54.4	Low	114 Å²	114	97.7 Å²	97.7	74%	0.74	56%	0.555	S	S	*	*			trans	-61.4	130.5	175.6	25.2	-32.4	0	0	0	108.3	A37	P35-A37 PolarHBondContact O-N 2.93Å
36	N	45.2	Very low	57.5	Low	106 Å²	106	88.6 Å²	88.6	57%	0.567	51%	0.512	S	S	*	.			trans	-50.1	115.2	172.4	-111.2	9.7	0	0	0	108.2	M34 S38	M34-N36 PolarHBondContact O-N 3.48Å; N36-S38 VanDerWaalsContact C-N 3.29Å; N36-S38 PolarHBondContact O-N 3.27Å
37	A	55.7	Low	60.4	Low	79 Å²	79	82.4 Å²	82.4	65%	0.653	47%	0.472	S	S	*	.			trans	-71	85.9	-172	0	0	0	0	0	109.7	P35 M39	P35-A37 PolarHBondContact O-N 2.93Å; A37-M39 PolarHBondContact O-N 2.94Å
38	S	62.6	Low	63.2	Low	36 Å²	36	74.8 Å²	74.8	25%	0.252	44%	0.436	S	S	.	.			trans	-60.4	121.4	-177.9	61.3	0	0	0	0	110.1	N36 K40 N116	N36-S38 VanDerWaalsContact C-N 3.29Å; N36-S38 PolarHBondContact O-N 3.27Å; S38-K40 PolarHBondContact O-N 3.3Å; S38-K40 VanDerWaalsContact O-N 3.16Å; S38-N116 CarbonylContact C-O 3.59Å; S38-N116 WeakPolarHBondContact CA-O 3.49Å; S38-N116 WeakPolarHBondContact CB-O 3.35Å
39	M	77.5	Confident	65.9	Low	76 Å²	76	73.5 Å²	73.5	37%	0.374	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	114.4	-179.9	-74.1	-167.3	-74.3	0	0	109.6	A37 N116 V118 P243	A37-M39 PolarHBondContact O-N 2.94Å; M39-N116 PolarHBondContact N-O 3.31Å; M39-V118 PolarHBondContact O-N 2.99Å; M39-P243 HydrophobicContact CE-CB 3.57Å; M39-P243 HydrophobicContact CE-CG 3.52Å
40	K	87.2	Confident	68.8	Low	146 Å²	146	70.5 Å²	70.5	64%	0.635	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	115.1	179.8	-72.8	178.2	-176.4	178.8	0	109.2	S38 V118	S38-K40 PolarHBondContact O-N 3.3Å; S38-K40 VanDerWaalsContact O-N 3.16Å; K40-V118 CarbonylContact C-O 3.5Å; K40-V118 WeakPolarHBondContact CA-O 3.48Å; K40-V118 HydrophobicContact CG-CB 4.27Å; K40-V118 HydrophobicContact CG-CG1 4.47Å
41	K	92.6	Very high	71.8	Confident	48 Å²	48	63.6 Å²	63.6	21%	0.209	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	124.7	176.3	-66.2	-68	-175.8	176.9	0	109.5	L117 V118 L119 N120 E147 L241	K41-L117 HydrophobicContact CB-CD1 4.19Å; K41-L117 HydrophobicContact CG-CD1 3.57Å; K41-V118 PolarHBondContact N-O 2.63Å; K41-L119 HydrophobicContact CB-CD2 4.28Å; K41-N120 PolarHBondContact O-N 2.9Å; K41-E147 HydrophobicContact CB-CB 4.47Å; K41-E147 HydrophobicContact CB-CG 4.3Å; K41-E147 HydrophobicContact CD-CB 4.14Å; K41-E147 HydrophobicContact CD-CG 3.54Å; K41-E147 VanDerWaalsContact CD-OE1 3.25Å; K41-E147 WeakPolarHBondContact CD-OE1 3.45Å; K41-E147 VanDerWaalsContact CD-OE2 3.31Å; K41-E147 WeakPolarHBondContact CD-OE2 3.43Å; K41-E147 WeakPolarHBondContact CE-OE2 3.48Å; K41-E147 IonicContact NZ-OE1 3.06Å; K41-E147 PolarHBondContact NZ-OE1 2.83Å; K41-E147 IonicContact NZ-OE2 2.82Å; K41-E147 PolarHBondContact NZ-OE2 2.84Å; K41-L241 HydrophobicContact CB-CD2 4.21Å; K41-L241 HydrophobicContact CD-CD2 4.34Å; K41-L241 HydrophobicContact CG-CD2 4.25Å
42	K	95	Very high	74.9	Confident	21 Å²	21	60.7 Å²	60.7	9%	0.091	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	122	179.7	-176.5	178.2	172.1	-175.9	0	109.8	W122 N141 I142 R144 N145 V146 E147 V148	K42-W122 HydrophobicContact CD-CZ2 4.46Å; K42-N141 PolarHBondContact NZ-O 3.11Å; K42-I142 VanDerWaalsContact CE-O 3.25Å; K42-I142 WeakPolarHBondContact CE-O 3.49Å; K42-I142 PolarHBondContact NZ-O 2.98Å; K42-R144 PolarHBondContact NZ-O 2.96Å; K42-N145 VanDerWaalsContact CB-O 3.3Å; K42-N145 WeakPolarHBondContact CB-O 3.39Å; K42-V146 HydrophobicContact CD-CG2 4.22Å; K42-E147 PolarHBondContact O-N 3.29Å; K42-V148 PolarHBondContact O-N 2.92Å
43	V	96.3	Very high	78.1	Confident	4 Å²	4	51.2 Å²	51.2	2%	0.024	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	115	-179.8	-176.8	0	0	0	0	107.9	L119 N120 L121 W122 V148 I150 L241	V43-L119 HydrophobicContact CG2-CD2 4.41Å; V43-N120 PolarHBondContact N-O 2.84Å; V43-L121 WeakPolarHBondContact O-CA 3.26Å; V43-W122 PolarHBondContact O-N 3.45Å; V43-V148 WeakPolarHBondContact CA-O 3.45Å; V43-V148 HydrophobicContact CG1-CB 4.24Å; V43-V148 HydrophobicContact CG1-CG1 4.06Å; V43-V148 HydrophobicContact CG2-CB 4.37Å; V43-I150 HydrophobicContact CG1-CD1 3.64Å; V43-I150 HydrophobicContact CG1-CG1 4.03Å; V43-L241 HydrophobicContact CG2-CD1 3.85Å
44	L	96.9	Very high	81.2	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	135	171.7	-65.1	-172	0	0	0	109.8	M46 W122 I142 F143 V146 V148 L149 I150 I174	L44-M46 HydrophobicContact CB-CG 4.31Å; L44-M46 HydrophobicContact CD1-SD 4.19Å; L44-W122 HydrophobicContact CD2-CB 3.76Å; L44-W122 HydrophobicContact CD2-CD2 4.26Å; L44-W122 HydrophobicContact CD2-CE3 4.26Å; L44-W122 HydrophobicContact CD2-CG 4.08Å; L44-I142 HydrophobicContact CD1-CG2 4.02Å; L44-I142 HydrophobicContact CD2-CG2 4.35Å; L44-F143 HydrophobicContact CD1-CD1 3.87Å; L44-F143 HydrophobicContact CD1-CE1 4.06Å; L44-V146 HydrophobicContact CD1-CG1 4.12Å; L44-V146 HydrophobicContact CD1-CG2 3.63Å; L44-V146 HydrophobicContact CD2-CG2 4.43Å; L44-V146 HydrophobicContact CG-CG1 3.91Å; L44-V146 HydrophobicContact CG-CG2 3.8Å; L44-V148 PolarHBondContact N-O 2.98Å; L44-L149 HydrophobicContact CB-CD1 3.83Å; L44-L149 HydrophobicContact CD1-CD1 4.47Å; L44-I150 PolarHBondContact O-N 2.8Å; L44-I174 HydrophobicContact CD1-CD1 4.43Å
45	L	96.4	Very high	84.3	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	104.4	171.6	-177.9	64.3	0	0	0	108	K53 R57 L121 W122 D123 C124 I150 V152	L45-K53 HydrophobicContact CD1-CG 4.44Å; L45-K53 HydrophobicContact CD2-CB 3.88Å; L45-K53 HydrophobicContact CG-CB 3.93Å; L45-K53 HydrophobicContact CG-CD 4.29Å; L45-K53 HydrophobicContact CG-CG 4.11Å; L45-R57 HydrophobicContact CD2-CB 4.32Å; L45-L121 HydrophobicContact CB-CD2 4.23Å; L45-L121 HydrophobicContact CD2-CD2 4.16Å; L45-W122 PolarHBondContact N-O 3.17Å; L45-D123 HydrophobicContact CD2-CB 4.43Å; L45-C124 PolarHBondContact O-N 3.13Å; L45-I150 WeakPolarHBondContact CA-O 3.31Å; L45-I150 HydrophobicContact CD1-CB 3.82Å; L45-I150 HydrophobicContact CD1-CD1 4.48Å; L45-I150 HydrophobicContact CD1-CG2 3.72Å; L45-V152 HydrophobicContact CD1-CG2 3.66Å
46	M	96.1	Very high	87	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	169.6	-171.2	-62.3	-166	77.4	0	0	112.2	L44 K53 C124 M131 Y134 F143 L149 I150 Y151 V152 C170	L44-M46 HydrophobicContact CB-CG 4.31Å; L44-M46 HydrophobicContact CD1-SD 4.19Å; M46-K53 VanDerWaalsContact C-CD 3.47Å; M46-K53 WeakPolarHBondContact O-CD 3.45Å; M46-C124 HydrophobicContact CE-CB 4.37Å; M46-C124 HydrophobicContact CG-CB 4.08Å; M46-M131 HydrophobicContact CE-CE 4.3Å; M46-M131 HydrophobicContact CE-SD 4.16Å; M46-Y134 HydrophobicContact CE-CD2 3.6Å; M46-Y134 HydrophobicContact CE-CE2 4.19Å; M46-Y134 HydrophobicContact CE-CG 4.37Å; M46-F143 HydrophobicContact CE-CE1 4.45Å; M46-F143 HydrophobicContact CE-CZ 3.99Å; M46-F143 HydrophobicContact SD-CE1 3.74Å; M46-F143 HydrophobicContact SD-CZ 3.89Å; M46-L149 HydrophobicContact CB-CD1 4.17Å; M46-L149 HydrophobicContact CG-CD1 4.06Å; M46-L149 HydrophobicContact SD-CD1 4.18Å; M46-I150 PolarHBondContact N-O 3.32Å; M46-Y151 HydrophobicContact CB-CD2 3.94Å; M46-Y151 HydrophobicContact CB-CE2 4.26Å; M46-Y151 CarbonylContact O-C 3.5Å; M46-Y151 WeakPolarHBondContact O-CA 3.41Å; M46-V152 PolarHBondContact O-N 3.37Å; M46-C170 VanDerWaalsContact SD-SG 3.68Å
47	G	94.5	Very high	89.3	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.178	C	C	.	.			trans	128.7	166.4	-175.8	0	0	0	0	0	111.8	K53 G126	G47-K53 WeakPolarHBondContact O-CE 3.41Å; G47-K53 PolarHBondContact O-NZ 3.49Å; G47-G126 VanDerWaalsContact O-CA 3.3Å; G47-G126 WeakPolarHBondContact O-CA 3.45Å
48	K	92.6	Very high	91	Very high	40 Å²	40	26.1 Å²	26.1	17%	0.174	15%	0.149	C	C	.	.			trans	-58.5	157.2	-171.7	-176.6	166	168.2	-174.9	0	114.6	S51 K53 G126 S157 E159 D163	K48-S51 WeakPolarHBondContact O-CB 3.44Å; K48-S51 PolarHBondContact O-N 2.91Å; K48-S51 PolarHBondContact O-OG 3.37Å; K48-K53 PolarHBondContact O-NZ 3.41Å; K48-G126 CarbonylContact C-O 3.54Å; K48-S157 PolarHBondContact NZ-OG 3.4Å; K48-E159 IonicContact NZ-OE2 2.67Å; K48-E159 PolarHBondContact NZ-OE2 3.28Å; K48-D163 WeakPolarHBondContact CD-OD1 3.34Å; K48-D163 IonicContact NZ-OD1 3.5Å
49	S	91.1	Very high	92.4	Very high	50 Å²	50	24.7 Å²	24.7	35%	0.35	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	138.8	173.8	-168.5	0	0	0	0	110.3	S51 G126	S49-S51 VanDerWaalsContact C-N 3.28Å; S49-S51 PolarHBondContact O-N 2.95Å; S49-G126 WeakPolarHBondContact CB-O 3.46Å; S49-G126 PolarHBondContact N-O 3.42Å
50	G	89.7	Confident	93.1	Very high	52 Å²	52	21 Å²	21	54%	0.536	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	-5.9	-178	0	0	0	0	0	116.3	G52 K189	G50-G52 PolarHBondContact O-N 3.07Å; G50-G52 VanDerWaalsContact O-N 3.11Å; G50-K189 VanDerWaalsContact O-CE 3.24Å; G50-K189 WeakPolarHBondContact O-CE 3.47Å; G50-K189 PolarHBondContact O-NZ 2.93Å
51	S	93.4	Very high	93.3	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.007	10%	0.098	C	C	.	.	S	Bend	trans	-69.3	-5.8	-177.7	73.4	0	0	0	0	115.7	K48 S49 V152 H188	K48-S51 WeakPolarHBondContact O-CB 3.44Å; K48-S51 PolarHBondContact O-N 2.91Å; K48-S51 PolarHBondContact O-OG 3.37Å; S49-S51 VanDerWaalsContact C-N 3.28Å; S49-S51 PolarHBondContact O-N 2.95Å; S51-V152 WeakPolarHBondContact CB-O 3.33Å; S51-V152 WeakPolarHBondContact O-CG1 3.34Å; S51-V152 PolarHBondContact OG-O 2.91Å; S51-H188 PolarHBondContact O-CD2 3.39Å
52	G	93	Very high	93	Very high	10 Å²	10	16 Å²	16	10%	0.103	11%	0.108	C	C	.	.	S	Bend	trans	100.7	4	172.9	0	0	0	0	0	116.6	G50 T54 S55 M56	G50-G52 PolarHBondContact O-N 3.07Å; G50-G52 VanDerWaalsContact O-N 3.11Å; G52-T54 PolarHBondContact O-N 2.91Å; G52-S55 WeakPolarHBondContact O-CB 3.36Å; G52-S55 PolarHBondContact O-N 2.82Å; G52-S55 VanDerWaalsContact O-N 3.15Å; G52-M56 PolarHBondContact O-N 2.81Å
53	K	93.4	Very high	92.8	Very high	7 Å²	7	18.9 Å²	18.9	3%	0.03	12%	0.124	C	C	.	.	H	α-helix	trans	-43.3	-63.8	178.5	-61.9	-175.3	-58.1	-69.6	0	114.2	L45 M46 G47 K48 S55 M56 R57 D123 C124 V152	L45-K53 HydrophobicContact CD1-CG 4.44Å; L45-K53 HydrophobicContact CD2-CB 3.88Å; L45-K53 HydrophobicContact CG-CB 3.93Å; L45-K53 HydrophobicContact CG-CD 4.29Å; L45-K53 HydrophobicContact CG-CG 4.11Å; M46-K53 VanDerWaalsContact C-CD 3.47Å; M46-K53 WeakPolarHBondContact O-CD 3.45Å; G47-K53 WeakPolarHBondContact O-CE 3.41Å; G47-K53 PolarHBondContact O-NZ 3.49Å; K48-K53 PolarHBondContact O-NZ 3.41Å; K53-S55 VanDerWaalsContact C-N 3.3Å; K53-S55 PolarHBondContact O-N 3.19Å; K53-M56 PolarHBondContact O-N 3.19Å; K53-R57 PolarHBondContact O-N 3.33Å; K53-D123 VanDerWaalsContact CB-OD1 3.32Å; K53-D123 WeakPolarHBondContact CB-OD1 3.46Å; K53-C124 WeakPolarHBondContact CE-O 3.46Å; K53-V152 HydrophobicContact CG-CB 3.95Å; K53-V152 HydrophobicContact CG-CG1 4.47Å; K53-V152 HydrophobicContact CG-CG2 3.85Å
54	T	91.1	Very high	92.4	Very high	12 Å²	12	23 Å²	23	7%	0.074	14%	0.14	C	C	.	.	H	α-helix	trans	-62.2	-36.5	-178.7	-46.7	0	0	0	0	111.9	G52 R57 S58 L72 T75 D123	G52-T54 PolarHBondContact O-N 2.91Å; T54-R57 PolarHBondContact O-N 3.17Å; T54-S58 VanDerWaalsContact O-CB 3.31Å; T54-S58 WeakPolarHBondContact O-CB 3.42Å; T54-S58 PolarHBondContact O-N 3.18Å; T54-S58 PolarHBondContact O-OG 2.77Å; T54-S58 VanDerWaalsContact O-OG 3.07Å; T54-L72 HydrophobicContact CG2-CD1 4.33Å; T54-T75 PolarHBondContact OG1-OG1 3.36Å; T54-D123 WeakPolarHBondContact CA-OD2 3.36Å; T54-D123 WeakPolarHBondContact CB-OD2 3.5Å; T54-D123 PolarHBondContact N-OD2 2.63Å; T54-D123 PolarHBondContact OG1-OD2 3.04Å
55	S	93.4	Very high	92	Very high	24 Å²	24	24.9 Å²	24.9	17%	0.168	15%	0.149	C	C	.	.	H	α-helix	trans	-60.2	-49	174.2	-50.9	0	0	0	0	112.1	G52 K53 S58 I59	G52-S55 WeakPolarHBondContact O-CB 3.36Å; G52-S55 PolarHBondContact O-N 2.82Å; G52-S55 VanDerWaalsContact O-N 3.15Å; K53-S55 VanDerWaalsContact C-N 3.3Å; K53-S55 PolarHBondContact O-N 3.19Å; S55-S58 PolarHBondContact O-N 3.14Å; S55-I59 WeakPolarHBondContact O-CD1 3.26Å; S55-I59 VanDerWaalsContact O-CG1 3.31Å; S55-I59 WeakPolarHBondContact O-CG1 3.28Å; S55-I59 PolarHBondContact O-N 3.12Å
56	M	94.3	Very high	91.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.5	-48.5	177.7	-72.1	-169.9	-78.8	0	0	111.9	G52 K53 S58 I59 I60 V152 L186 H188 I225 L230	G52-M56 PolarHBondContact O-N 2.81Å; K53-M56 PolarHBondContact O-N 3.19Å; M56-S58 VanDerWaalsContact C-N 3.32Å; M56-S58 PolarHBondContact O-N 3.44Å; M56-I59 PolarHBondContact O-N 3.26Å; M56-I60 WeakPolarHBondContact O-CG1 3.26Å; M56-I60 PolarHBondContact O-N 3.36Å; M56-I60 VanDerWaalsContact O-N 3.15Å; M56-V152 HydrophobicContact CE-CB 4.12Å; M56-V152 HydrophobicContact CE-CG1 3.43Å; M56-V152 VanDerWaalsContact CE-CG1 3.43Å; M56-V152 HydrophobicContact CE-CG2 3.51Å; M56-L186 HydrophobicContact CE-CD1 4.08Å; M56-L186 HydrophobicContact SD-CD1 3.9Å; M56-H188 PolarHBondContact SD-CE1 2.89Å; M56-H188 PolarHBondContact SD-ND1 3.16Å; M56-H188 VanDerWaalsContact SD-ND1 3.44Å; M56-I225 HydrophobicContact CG-CG2 4.3Å; M56-L230 HydrophobicContact CB-CD1 3.91Å; M56-L230 HydrophobicContact CB-CD2 4.45Å; M56-L230 HydrophobicContact CG-CD1 3.47Å; M56-L230 VanDerWaalsContact CG-CD1 3.47Å; M56-L230 HydrophobicContact CG-CD2 4.26Å; M56-L230 HydrophobicContact SD-CD1 3.38Å; M56-L230 WeakPolarHBondContact SD-CD1 3.45Å
57	R	92.9	Very high	91.3	Very high	17 Å²	17	34 Å²	34	6%	0.064	19%	0.187	C	C	.	.	H	α-helix	trans	-55.3	-47.2	176.9	-174.7	-161.9	74	-165.2	17.2	111.3	L45 K53 T54 F61 E107 L121 D123	L45-R57 HydrophobicContact CD2-CB 4.32Å; K53-R57 PolarHBondContact O-N 3.33Å; T54-R57 PolarHBondContact O-N 3.17Å; R57-F61 HydrophobicContact CG-CD2 4.2Å; R57-F61 WeakPolarHBondContact O-CB 3.41Å; R57-F61 WeakPolarHBondContact O-CD2 3.44Å; R57-F61 PolarHBondContact O-N 3.07Å; R57-E107 IonicContact CZ-OE1 3.99Å; R57-E107 IonicContact CZ-OE2 2.91Å; R57-E107 IonicContact NH1-OE1 3.65Å; R57-E107 IonicContact NH1-OE2 2.62Å; R57-E107 PolarHBondContact NH1-OE2 3.49Å; R57-E107 IonicContact NH2-OE1 2.78Å; R57-E107 PolarHBondContact NH2-OE1 3.29Å; R57-E107 IonicContact NH2-OE2 3.73Å; R57-E107 PolarHBondContact NH2-OE2 3.02Å; R57-L121 HydrophobicContact CG-CD1 4.01Å; R57-L121 HydrophobicContact CG-CD2 3.96Å; R57-D123 IonicContact CZ-OD2 2.77Å; R57-D123 IonicContact NE-OD2 3.61Å; R57-D123 VanDerWaalsContact NH1-CB 3.35Å; R57-D123 IonicContact NH1-OD2 2.7Å; R57-D123 PolarHBondContact NH1-OD2 3.21Å
58	S	91.4	Very high	90.9	Very high	5 Å²	5	36.7 Å²	36.7	4%	0.035	20%	0.201	C	C	.	.	H	α-helix	trans	-69.3	-33	-177.4	-68.4	0	0	0	0	113.4	T54 S55 M56 A62 N63 Y64	T54-S58 VanDerWaalsContact O-CB 3.31Å; T54-S58 WeakPolarHBondContact O-CB 3.42Å; T54-S58 PolarHBondContact O-N 3.18Å; T54-S58 PolarHBondContact O-OG 2.77Å; T54-S58 VanDerWaalsContact O-OG 3.07Å; S55-S58 PolarHBondContact O-N 3.14Å; M56-S58 VanDerWaalsContact C-N 3.32Å; M56-S58 PolarHBondContact O-N 3.44Å; S58-A62 CarbonylContact O-C 3.43Å; S58-A62 VanDerWaalsContact O-CA 3.25Å; S58-A62 WeakPolarHBondContact O-CA 3.33Å; S58-A62 WeakPolarHBondContact O-CB 3.44Å; S58-A62 PolarHBondContact O-N 3.21Å; S58-N63 PolarHBondContact O-N 3.32Å; S58-N63 VanDerWaalsContact O-N 3.16Å; S58-Y64 PolarHBondContact O-N 2.95Å; S58-Y64 VanDerWaalsContact O-N 3.08Å
59	I	91.3	Very high	90.6	Very high	5 Å²	5	35.2 Å²	35.2	3%	0.026	20%	0.195	C	C	.	.	H	α-helix	trans	-66.4	-52.3	174.6	-70	163.4	0	0	0	110.8	S55 M56 Y64 A66 T69 I225 L230	S55-I59 WeakPolarHBondContact O-CD1 3.26Å; S55-I59 VanDerWaalsContact O-CG1 3.31Å; S55-I59 WeakPolarHBondContact O-CG1 3.28Å; S55-I59 PolarHBondContact O-N 3.12Å; M56-I59 PolarHBondContact O-N 3.26Å; I59-Y64 WeakPolarHBondContact CA-O 3.49Å; I59-A66 HydrophobicContact CD1-CB 4.47Å; I59-T69 HydrophobicContact CD1-CG2 3.85Å; I59-T69 HydrophobicContact CG1-CG2 3.76Å; I59-I225 HydrophobicContact CD1-CB 3.56Å; I59-I225 HydrophobicContact CD1-CG2 3.53Å; I59-L230 HydrophobicContact CB-CD2 4.36Å; I59-L230 HydrophobicContact CD1-CD2 4.37Å; I59-L230 HydrophobicContact CG2-CD2 4.13Å
60	I	92.5	Very high	90.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-68	-52.4	-175.6	-60.9	-57.8	0	0	0	111.1	M56 L230 Y231 W234 T271 L273 K297	M56-I60 WeakPolarHBondContact O-CG1 3.26Å; M56-I60 PolarHBondContact O-N 3.36Å; M56-I60 VanDerWaalsContact O-N 3.15Å; I60-L230 HydrophobicContact CD1-CD2 4.15Å; I60-L230 HydrophobicContact CD1-CG 4.13Å; I60-L230 HydrophobicContact CG1-CD2 4.28Å; I60-L230 HydrophobicContact CG1-CG 4.36Å; I60-Y231 HydrophobicContact CD1-CD1 3.91Å; I60-Y231 HydrophobicContact CD1-CE1 3.76Å; I60-Y231 HydrophobicContact CD1-CE2 4.5Å; I60-Y231 HydrophobicContact CD1-CG 4.33Å; I60-W234 HydrophobicContact CG1-CB 4.45Å; I60-W234 HydrophobicContact CG1-CG 4Å; I60-T271 HydrophobicContact CG2-CG2 4.1Å; I60-L273 HydrophobicContact CD1-CD2 4.4Å; I60-L273 HydrophobicContact CG2-CD1 3.93Å; I60-L273 HydrophobicContact CG2-CD2 4.45Å; I60-L273 HydrophobicContact CG2-CG 4.31Å; I60-K297 PolarHBondContact O-NZ 2.95Å
61	F	90.8	Very high	89.6	Confident	38 Å²	38	49.2 Å²	49.2	17%	0.167	23%	0.225	C	C	.	.	H	α-helix	trans	-101.8	-24	-167.5	-56.1	-68	0	0	0	115	R57 V111 L121 W234 T271	R57-F61 HydrophobicContact CG-CD2 4.2Å; R57-F61 WeakPolarHBondContact O-CB 3.41Å; R57-F61 WeakPolarHBondContact O-CD2 3.44Å; R57-F61 PolarHBondContact O-N 3.07Å; F61-V111 HydrophobicContact CB-CG2 4.11Å; F61-V111 HydrophobicContact CD1-CB 4.31Å; F61-V111 HydrophobicContact CD1-CG1 3.67Å; F61-V111 HydrophobicContact CD1-CG2 3.91Å; F61-V111 HydrophobicContact CE1-CG1 4.05Å; F61-V111 HydrophobicContact CG-CG2 3.98Å; F61-L121 HydrophobicContact CD2-CD1 4.01Å; F61-L121 HydrophobicContact CE2-CD1 3.66Å; F61-L121 HydrophobicContact CZ-CD1 4.47Å; F61-W234 HydrophobicContact CE2-CD2 4.37Å; F61-W234 AromaticContact CE2-CE3 3.83Å; F61-W234 HydrophobicContact CE2-CE3 3.83Å; F61-W234 AromaticContact CE2-CH2 3.92Å; F61-W234 HydrophobicContact CE2-CH2 3.92Å; F61-W234 HydrophobicContact CE2-CZ2 4.44Å; F61-W234 AromaticContact CE2-CZ3 3.59Å; F61-W234 HydrophobicContact CE2-CZ3 3.59Å; F61-W234 AromaticContact CZ-CE3 3.76Å; F61-W234 HydrophobicContact CZ-CE3 3.76Å; F61-W234 AromaticContact CZ-CZ3 3.76Å; F61-W234 HydrophobicContact CZ-CZ3 3.76Å; F61-T271 HydrophobicContact CD1-CG2 3.59Å; F61-T271 HydrophobicContact CE1-CG2 3.81Å
62	A	87.6	Confident	88.8	Confident	50 Å²	50	50.4 Å²	50.4	41%	0.413	23%	0.23	S	C	.	.	H	α-helix	trans	-110	9.8	-176.8	0	0	0	0	0	114.6	S58 Y64	S58-A62 CarbonylContact O-C 3.43Å; S58-A62 VanDerWaalsContact O-CA 3.25Å; S58-A62 WeakPolarHBondContact O-CA 3.33Å; S58-A62 WeakPolarHBondContact O-CB 3.44Å; S58-A62 PolarHBondContact O-N 3.21Å; A62-Y64 VanDerWaalsContact C-N 3.29Å; A62-Y64 HydrophobicContact CB-CD2 3.95Å; A62-Y64 HydrophobicContact CB-CE2 4.18Å; A62-Y64 PolarHBondContact O-N 2.83Å
63	N	89.4	Confident	87.3	Confident	81 Å²	81	51.3 Å²	51.3	43%	0.433	24%	0.24	S	C	.	.			trans	64.1	23.6	176.5	-61.9	-53.2	0	0	0	115.2	S58 K297 L301	S58-N63 PolarHBondContact O-N 3.32Å; S58-N63 VanDerWaalsContact O-N 3.16Å; N63-K297 PolarHBondContact OD1-NZ 3.47Å; N63-L301 HydrophobicContact CB-CD2 3.59Å; N63-L301 WeakPolarHBondContact O-CD2 3.36Å
64	Y	87.6	Confident	85.6	Confident	90 Å²	90	54.2 Å²	54.2	35%	0.353	26%	0.258	S	S	.	.			trans	-72.1	147.2	173.4	-81.8	-121.3	0	0	0	111.3	S58 I59 A62 D68 T69 L72	S58-Y64 PolarHBondContact O-N 2.95Å; S58-Y64 VanDerWaalsContact O-N 3.08Å; I59-Y64 WeakPolarHBondContact CA-O 3.49Å; A62-Y64 VanDerWaalsContact C-N 3.29Å; A62-Y64 HydrophobicContact CB-CD2 3.95Å; A62-Y64 HydrophobicContact CB-CE2 4.18Å; A62-Y64 PolarHBondContact O-N 2.83Å; Y64-D68 HydrophobicContact CD1-CB 3.89Å; Y64-D68 HydrophobicContact CE1-CB 4.44Å; Y64-T69 HydrophobicContact CD1-CG2 4.47Å; Y64-L72 HydrophobicContact CD1-CD2 4.47Å; Y64-L72 HydrophobicContact CE1-CD2 3.78Å; Y64-L72 HydrophobicContact CE1-CG 4.38Å
65	I	89.5	Confident	83.8	Confident	40 Å²	40	54.9 Å²	54.9	21%	0.205	26%	0.263	C	S	.	.			trans	-89	154.3	160.9	58.7	168.9	0	0	0	110	R67 D68 T69 L301	I65-R67 HydrophobicContact CD1-CB 4.26Å; I65-R67 PolarHBondContact O-N 3.49Å; I65-R67 VanDerWaalsContact O-N 3.08Å; I65-D68 HydrophobicContact CG1-CB 4.02Å; I65-D68 VanDerWaalsContact CG1-CG 3.46Å; I65-D68 VanDerWaalsContact CG1-OD2 3.25Å; I65-D68 WeakPolarHBondContact CG1-OD2 3.16Å; I65-D68 PolarHBondContact O-N 3.36Å; I65-T69 PolarHBondContact O-N 3.39Å; I65-L301 HydrophobicContact CG2-CD1 3.67Å
66	A	88.8	Confident	81.5	Confident	14 Å²	14	57.3 Å²	57.3	12%	0.116	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-34.6	-178.8	0	0	0	0	0	114.3	I59 D68 T69 I225 W226	I59-A66 HydrophobicContact CD1-CB 4.47Å; A66-D68 VanDerWaalsContact C-N 3.34Å; A66-D68 PolarHBondContact O-N 3.09Å; A66-T69 PolarHBondContact O-OG1 3.07Å; A66-I225 HydrophobicContact CB-CB 4.23Å; A66-I225 HydrophobicContact CB-CD1 4.12Å; A66-I225 HydrophobicContact CB-CG1 4.13Å; A66-I225 VanDerWaalsContact CB-O 3.32Å; A66-I225 WeakPolarHBondContact CB-O 3.48Å; A66-W226 HydrophobicContact CB-CD2 4.11Å; A66-W226 HydrophobicContact CB-CE3 3.76Å; A66-W226 HydrophobicContact CB-CH2 4.26Å; A66-W226 HydrophobicContact CB-CZ3 3.85Å
67	R	88.1	Confident	78.8	Confident	179 Å²	179	62 Å²	62	68%	0.675	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-34.4	177.1	-173.6	178.1	179.5	-177.3	0.5	113	I65 T69 R70	I65-R67 HydrophobicContact CD1-CB 4.26Å; I65-R67 PolarHBondContact O-N 3.49Å; I65-R67 VanDerWaalsContact O-N 3.08Å; R67-T69 VanDerWaalsContact C-N 3.33Å; R67-R70 WeakPolarHBondContact O-CG 3.15Å
68	D	87	Confident	76.2	Confident	56 Å²	56	63.2 Å²	63.2	30%	0.299	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-77.8	-22.6	-175.2	-68.5	-13.3	0	0	0	111.6	Y64 I65 A66 R70 R71	Y64-D68 HydrophobicContact CD1-CB 3.89Å; Y64-D68 HydrophobicContact CE1-CB 4.44Å; I65-D68 HydrophobicContact CG1-CB 4.02Å; I65-D68 VanDerWaalsContact CG1-CG 3.46Å; I65-D68 VanDerWaalsContact CG1-OD2 3.25Å; I65-D68 WeakPolarHBondContact CG1-OD2 3.16Å; I65-D68 PolarHBondContact O-N 3.36Å; A66-D68 VanDerWaalsContact C-N 3.34Å; A66-D68 PolarHBondContact O-N 3.09Å; D68-R70 PolarHBondContact O-N 3.07Å; D68-R70 VanDerWaalsContact O-N 3.12Å; D68-R71 WeakPolarHBondContact O-CB 3.49Å; D68-R71 PolarHBondContact O-N 2.68Å
69	T	86.8	Confident	73.7	Confident	8 Å²	8	71 Å²	71	5%	0.049	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-64.4	-16.8	176.1	71.7	0	0	0	0	113.2	I59 Y64 I65 A66 R67 R71 L72	I59-T69 HydrophobicContact CD1-CG2 3.85Å; I59-T69 HydrophobicContact CG1-CG2 3.76Å; Y64-T69 HydrophobicContact CD1-CG2 4.47Å; I65-T69 PolarHBondContact O-N 3.39Å; A66-T69 PolarHBondContact O-OG1 3.07Å; R67-T69 VanDerWaalsContact C-N 3.33Å; T69-R71 PolarHBondContact O-N 2.93Å; T69-L72 HydrophobicContact CG2-CD1 4.13Å; T69-L72 WeakPolarHBondContact O-CB 3.43Å; T69-L72 PolarHBondContact O-N 3.4Å
70	R	81.7	Confident	71.3	Confident	188 Å²	188	77.3 Å²	77.3	71%	0.709	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-64.2	-14.3	171.6	-61.2	-176.9	-177.3	-167.7	0.7	113.8	R67 D68	R67-R70 WeakPolarHBondContact O-CG 3.15Å; D68-R70 PolarHBondContact O-N 3.07Å; D68-R70 VanDerWaalsContact O-N 3.12Å
71	R	78.6	Confident	68.5	Low	209 Å²	209	84.9 Å²	84.9	79%	0.789	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-94.1	-14	176.7	-62.1	178.6	176.5	166.3	-1.6	113.4	D68 T69 G73	D68-R71 WeakPolarHBondContact O-CB 3.49Å; D68-R71 PolarHBondContact O-N 2.68Å; T69-R71 PolarHBondContact O-N 2.93Å; R71-G73 PolarHBondContact O-N 3.26Å
72	L	75.6	Confident	66	Low	25 Å²	25	87 Å²	87	13%	0.131	42%	0.421	C	S	.	.			trans	-65.6	128.8	173.5	-57.6	171.1	0	0	0	107.2	T54 Y64 T69 D78	T54-L72 HydrophobicContact CG2-CD1 4.33Å; Y64-L72 HydrophobicContact CD1-CD2 4.47Å; Y64-L72 HydrophobicContact CE1-CD2 3.78Å; Y64-L72 HydrophobicContact CE1-CG 4.38Å; T69-L72 HydrophobicContact CG2-CD1 4.13Å; T69-L72 WeakPolarHBondContact O-CB 3.43Å; T69-L72 PolarHBondContact O-N 3.4Å; L72-D78 WeakPolarHBondContact CD2-OD2 3.28Å
73	G	60.9	Low	63.5	Low	29 Å²	29	91.3 Å²	91.3	30%	0.299	44%	0.436	S	S	.	.			trans	-68.8	-176	175.7	0	0	0	0	0	111.7	R71 D78	R71-G73 PolarHBondContact O-N 3.26Å; G73-D78 PolarHBondContact N-OD1 3.17Å; G73-D78 VanDerWaalsContact N-OD1 3.12Å
74	T	58.6	Low	60.9	Low	69 Å²	69	95 Å²	95	42%	0.423	45%	0.451	S	S	.	.	S	Bend	trans	-56.1	145.5	144.6	53.1	0	0	0	0	107.4	I76 L77	T74-I76 PolarHBondContact O-N 2.93Å; T74-L77 PolarHBondContact O-N 3.26Å
75	T	52.3	Low	58.5	Low	26 Å²	26	98.2 Å²	98.2	16%	0.16	47%	0.472	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-3.4	-168.5	-41.4	0	0	0	0	115.8	T54 E107	T54-T75 PolarHBondContact OG1-OG1 3.36Å; T75-E107 HydrophobicContact CG2-CB 4.29Å
76	I	45	Very low	55.6	Low	74 Å²	74	102.8 Å²	102.8	38%	0.379	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-29.2	172.5	-62.3	178	0	0	0	113.7	T74 Q127 F130	T74-I76 PolarHBondContact O-N 2.93Å; I76-Q127 VanDerWaalsContact CD1-NE2 3.32Å; I76-F130 HydrophobicContact CD1-CE2 4.11Å; I76-F130 HydrophobicContact CD1-CZ 4.16Å; I76-F130 HydrophobicContact CG1-CE2 4.31Å; I76-F130 HydrophobicContact CG1-CZ 4.44Å
77	L	37.4	Very low	52.7	Low	98 Å²	98	108 Å²	108	51%	0.513	53%	0.533	S	S	.	.	S	Bend	trans	-101.6	-16.1	-163.1	-77.2	171	0	0	0	117.7	T74 R79 I80	T74-L77 PolarHBondContact O-N 3.26Å; L77-R79 PolarHBondContact O-N 2.86Å; L77-I80 PolarHBondContact O-N 3.03Å
78	D	40.4	Very low	50.3	Low	44 Å²	44	104.8 Å²	104.8	24%	0.235	54%	0.538	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	3.3	-162	-76.5	-3.7	0	0	0	116.4	L72 G73 S82	L72-D78 WeakPolarHBondContact CD2-OD2 3.28Å; G73-D78 PolarHBondContact N-OD1 3.17Å; G73-D78 VanDerWaalsContact N-OD1 3.12Å; D78-S82 PolarHBondContact O-OG 2.9Å; D78-S82 VanDerWaalsContact O-OG 3.04Å
79	R	38.8	Very low	47.5	Very low	169 Å²	169	110.3 Å²	110.3	64%	0.638	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-14.4	172.6	-85.1	-167.8	-179.2	-146	1.4	115.8	L77	L77-R79 PolarHBondContact O-N 2.86Å
80	I	39.2	Very low	44.5	Very low	136 Å²	136	113.5 Å²	113.5	70%	0.697	59%	0.589	S	S	*	*	S	Bend	trans	-74.7	-31.5	-179.5	-62.9	-179.4	0	0	0	111.6	L77	L77-I80 PolarHBondContact O-N 3.03Å
81	H	35.5	Very low	42	Very low	159 Å²	159	111.4 Å²	111.4	74%	0.736	60%	0.598	S	S	*	*	S	Bend	trans	-95	-15.1	-173.8	-145.8	-60.9	0	0	0	114.7
82	S	36.3	Very low	39.5	Very low	84 Å²	84	110.9 Å²	110.9	59%	0.587	60%	0.597	S	S	*	*	S	Bend	trans	-86.7	-9.2	-177.3	40.9	0	0	0	0	114.3	D78	D78-S82 PolarHBondContact O-OG 2.9Å; D78-S82 VanDerWaalsContact O-OG 3.04Å
83	L	35.6	Very low	37.3	Very low	140 Å²	140	114.5 Å²	114.5	73%	0.733	62%	0.624	S	S	*	*	S	Bend	trans	-98.6	-5.2	-179	-78	167.3	0	0	0	115.2	I85	L83-I85 PolarHBondContact O-N 3.18Å
84	Q	34.9	Very low	35.9	Very low	158 Å²	158	121.4 Å²	121.4	74%	0.738	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	1.9	-173.1	-75	-162.7	-46.7	0	0	116.5
85	I	37.3	Very low	34.5	Very low	157 Å²	157	123.6 Å²	123.6	81%	0.805	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-20.7	-176.9	-69.5	-176.8	0	0	0	113.5	L83	L83-I85 PolarHBondContact O-N 3.18Å
86	N	29.4	Very low	33.5	Very low	136 Å²	136	126.4 Å²	126.4	73%	0.727	68%	0.68	S	S	*	*	S	Bend	trans	-126.9	116.5	-179.4	-77.6	-26.6	0	0	0	113.1
87	S	27.4	Very low	32.9	Very low	125 Å²	125	129.2 Å²	129.2	87%	0.874	71%	0.707	S	S	*	*			trans	64.2	147.2	167.4	71.9	0	0	0	0	119.4
88	S	37	Very low	32.9	Very low	110 Å²	110	130.9 Å²	130.9	77%	0.769	72%	0.721	S	S	*	*			trans	-74.4	122	-179.1	50.6	0	0	0	0	112.4
89	L	28.3	Very low	32.4	Very low	172 Å²	172	131.8 Å²	131.8	90%	0.901	74%	0.741	S	S	*	*			trans	-167.1	169	147.6	-105	151.6	0	0	0	111.6
90	S	24.7	Very low	31.9	Very low	76 Å²	76	130.4 Å²	130.4	53%	0.531	75%	0.746	S	S	.	*			trans	-67.7	152.1	-160.9	43.5	0	0	0	0	116.3	Y92	S90-Y92 PolarHBondContact O-N 3.5Å; S90-Y92 VanDerWaalsContact O-N 3.09Å
91	T	28	Very low	31.5	Very low	144 Å²	144	129.2 Å²	129.2	88%	0.883	75%	0.745	S	S	*	*			trans	-59.7	105.8	161	46.1	0	0	0	0	110.7
92	Y	26.3	Very low	31.2	Very low	198 Å²	198	128.6 Å²	128.6	78%	0.776	74%	0.74	S	S	*	*			trans	-126.5	122.2	160.2	-92.1	-88.2	0	0	0	109.9	S90 L94	S90-Y92 PolarHBondContact O-N 3.5Å; S90-Y92 VanDerWaalsContact O-N 3.09Å; Y92-L94 PolarHBondContact O-N 3.33Å
93	S	29.7	Very low	31.4	Very low	100 Å²	100	128.9 Å²	128.9	70%	0.699	74%	0.739	S	S	*	*			trans	-60.5	114.6	165.2	45.5	0	0	0	0	109.5	V95	S93-V95 PolarHBondContact O-N 3.01Å
94	L	31.4	Very low	32.1	Very low	175 Å²	175	126.6 Å²	126.6	92%	0.916	72%	0.723	S	S	*	*			trans	-73	79.9	172.3	-76.6	168.8	0	0	0	110.3	Y92	Y92-L94 PolarHBondContact O-N 3.33Å
95	V	30.2	Very low	33.6	Very low	115 Å²	115	120 Å²	120	70%	0.697	69%	0.693	S	S	*	*			trans	-79.1	115	157	-84.4	0	0	0	0	108.3	S93	S93-V95 PolarHBondContact O-N 3.01Å
96	D	29.9	Very low	35.5	Very low	84 Å²	84	113.3 Å²	113.3	45%	0.449	66%	0.659	S	S	.	*			trans	-65.7	148.5	160.2	-73.3	-42.2	0	0	0	108.7	V98 G99 K102	D96-V98 PolarHBondContact O-N 3.33Å; D96-G99 PolarHBondContact O-N 3.47Å; D96-G99 VanDerWaalsContact O-N 3.08Å; D96-K102 IonicContact OD2-NZ 2.74Å; D96-K102 PolarHBondContact OD2-NZ 2.99Å
97	S	33.7	Very low	37.9	Very low	133 Å²	133	109.9 Å²	109.9	93%	0.93	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	11.7	-169.5	-37.5	0	0	0	0	116.8
98	V	36.3	Very low	40.6	Very low	133 Å²	133	108.6 Å²	108.6	81%	0.806	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.7	3.4	-176.3	-167.6	0	0	0	0	111.4	D96 N100	D96-V98 PolarHBondContact O-N 3.33Å; V98-N100 VanDerWaalsContact C-N 3.26Å; V98-N100 PolarHBondContact O-N 2.91Å
99	G	30	Very low	42.9	Very low	64 Å²	64	104.9 Å²	104.9	66%	0.66	59%	0.593	S	S	*	*			trans	72.6	10.2	170.1	0	0	0	0	0	115.9	D96	D96-G99 PolarHBondContact O-N 3.47Å; D96-G99 VanDerWaalsContact O-N 3.08Å
100	N	29.2	Very low	45.7	Very low	139 Å²	139	103.3 Å²	103.3	74%	0.743	58%	0.581	S	S	*	*			trans	-84.4	118.6	177.1	-133.8	14.2	0	0	0	109.9	V98 K102	V98-N100 VanDerWaalsContact C-N 3.26Å; V98-N100 PolarHBondContact O-N 2.91Å; N100-K102 PolarHBondContact O-N 3.45Å
101	T	30.3	Very low	48.5	Very low	112 Å²	112	101 Å²	101	69%	0.687	56%	0.563	S	S	*	*			trans	-67.8	125.9	171.2	40.1	0	0	0	0	109.3	T103	T101-T103 PolarHBondContact O-N 3.43Å
102	K	29.8	Very low	51.2	Low	145 Å²	145	101.6 Å²	101.6	63%	0.63	55%	0.549	S	S	*	.			trans	-71.2	82.9	168	-82.6	173.9	172.4	131.3	0	109.2	D96 N100 F104	D96-K102 IonicContact OD2-NZ 2.74Å; D96-K102 PolarHBondContact OD2-NZ 2.99Å; N100-K102 PolarHBondContact O-N 3.45Å; K102-F104 WeakPolarHBondContact O-CD2 3.28Å; K102-F104 PolarHBondContact O-N 2.96Å
103	T	39.2	Very low	53.8	Low	90 Å²	90	92.3 Å²	92.3	55%	0.552	51%	0.513	S	S	*	.			trans	-64.3	107.1	168	19.6	0	0	0	0	108.9	T101 D105 F130	T101-T103 PolarHBondContact O-N 3.43Å; T103-D105 VanDerWaalsContact C-N 3.34Å; T103-D105 PolarHBondContact O-N 3.12Å; T103-F130 HydrophobicContact CG2-CE1 4.27Å; T103-F130 HydrophobicContact CG2-CZ 4.33Å
104	F	51.8	Low	56.2	Low	93 Å²	93	88.3 Å²	88.3	41%	0.408	48%	0.484	S	S	.	.			trans	-73.8	92	173.7	-70.5	-78.1	0	0	0	109.2	K102	K102-F104 WeakPolarHBondContact O-CD2 3.28Å; K102-F104 PolarHBondContact O-N 2.96Å
105	D	65.8	Low	58.3	Low	19 Å²	19	80.8 Å²	80.8	10%	0.102	45%	0.448	C	S	.	.			trans	-73	-46.1	-175.1	-164.4	1.4	0	0	0	111.9	T103 G125 F130 Y134 Q138	T103-D105 VanDerWaalsContact C-N 3.34Å; T103-D105 PolarHBondContact O-N 3.12Å; D105-G125 PolarHBondContact O-N 3.31Å; D105-F130 WeakPolarHBondContact OD1-CB 3.43Å; D105-F130 VanDerWaalsContact OD1-CD1 3.31Å; D105-F130 WeakPolarHBondContact OD1-CD1 3.36Å; D105-F130 WeakPolarHBondContact OD1-CG 3.17Å; D105-Y134 VanDerWaalsContact CG-CE1 3.45Å; D105-Y134 PolarHBondContact O-OH 2.91Å; D105-Y134 WeakPolarHBondContact OD1-CE1 3.47Å; D105-Y134 PolarHBondContact OD1-OH 2.9Å; D105-Y134 WeakPolarHBondContact OD2-CE1 3.07Å; D105-Q138 PolarHBondContact OD2-NE2 3.44Å
106	V	76.8	Confident	60.5	Low	17 Å²	17	76.5 Å²	76.5	10%	0.103	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	132.5	177.5	-176.5	0	0	0	0	110	W122 C124 Y134 I142	V106-W122 HydrophobicContact CG1-CB 3.86Å; V106-W122 HydrophobicContact CG1-CD2 4.43Å; V106-W122 HydrophobicContact CG1-CE3 4.11Å; V106-W122 HydrophobicContact CG1-CG 4.38Å; V106-C124 HydrophobicContact CG2-CB 4.44Å; V106-Y134 HydrophobicContact CG2-CE1 3.7Å; V106-I142 HydrophobicContact CG2-CD1 3.8Å
107	E	80.8	Confident	63.1	Low	64 Å²	64	72.6 Å²	72.6	30%	0.299	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	119.7	171.8	-164.3	-172.8	161.7	0	0	110.5	R57 T75 D123	R57-E107 IonicContact CZ-OE1 3.99Å; R57-E107 IonicContact CZ-OE2 2.91Å; R57-E107 IonicContact NH1-OE1 3.65Å; R57-E107 IonicContact NH1-OE2 2.62Å; R57-E107 PolarHBondContact NH1-OE2 3.49Å; R57-E107 IonicContact NH2-OE1 2.78Å; R57-E107 PolarHBondContact NH2-OE1 3.29Å; R57-E107 IonicContact NH2-OE2 3.73Å; R57-E107 PolarHBondContact NH2-OE2 3.02Å; T75-E107 HydrophobicContact CG2-CB 4.29Å; E107-D123 HydrophobicContact CB-CB 4.46Å; E107-D123 PolarHBondContact N-O 2.74Å; E107-D123 PolarHBondContact O-N 3.25Å
108	H	83.9	Confident	65.7	Low	97 Å²	97	66.9 Å²	66.9	45%	0.449	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	126.5	178.8	-54.5	-64.8	0	0	0	111.4	W122	H108-W122 AromaticContact CE1-CD2 3.48Å; H108-W122 VanDerWaalsContact CE1-CD2 3.48Å; H108-W122 AromaticContact CE1-CE2 3.65Å; H108-W122 AromaticContact CE1-CE3 3.53Å; H108-W122 AromaticContact CE1-CH2 3.88Å; H108-W122 AromaticContact CE1-CZ2 3.86Å; H108-W122 AromaticContact CE1-CZ3 3.72Å; H108-W122 AromaticContact ND1-CD1 3.78Å; H108-W122 AromaticContact ND1-CD2 3.44Å; H108-W122 AromaticContact ND1-CE2 3.51Å; H108-W122 AromaticContact ND1-CE3 3.97Å; H108-W122 AromaticContact ND1-CG 3.6Å; H108-W122 AromaticContact ND1-NE1 3.71Å
109	S	84.8	Confident	68.2	Low	32 Å²	32	60.8 Å²	60.8	22%	0.224	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	128.2	172.5	-74.3	0	0	0	0	110.7	L121	S109-L121 PolarHBondContact N-O 3.35Å; S109-L121 PolarHBondContact O-N 3.37Å
110	H	86.4	Confident	71.2	Confident	140 Å²	140	58.9 Å²	58.9	65%	0.648	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	99.6	174.3	-64.3	-71.1	0	0	0	109.8	N120	H110-N120 PolarHBondContact CE1-OD1 3.05Å; H110-N120 PolarHBondContact ND1-OD1 2.96Å
111	V	84.4	Confident	74.2	Confident	28 Å²	28	52.3 Å²	52.3	17%	0.17	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	117	179.1	-178	0	0	0	0	109.1	F61 V118 L119	F61-V111 HydrophobicContact CB-CG2 4.11Å; F61-V111 HydrophobicContact CD1-CB 4.31Å; F61-V111 HydrophobicContact CD1-CG1 3.67Å; F61-V111 HydrophobicContact CD1-CG2 3.91Å; F61-V111 HydrophobicContact CE1-CG1 4.05Å; F61-V111 HydrophobicContact CG-CG2 3.98Å; V111-V118 WeakPolarHBondContact O-CA 3.45Å; V111-L119 HydrophobicContact CB-CB 4.33Å; V111-L119 PolarHBondContact N-O 2.92Å; V111-L119 PolarHBondContact O-N 2.96Å
112	R	84.1	Confident	77.2	Confident	156 Å²	156	48.8 Å²	48.8	59%	0.589	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	125.4	167.4	-172.6	-177.9	-65.1	-87.5	2.4	108.6	G115	R112-G115 VanDerWaalsContact CD-O 3.31Å; R112-G115 WeakPolarHBondContact CD-O 3.4Å; R112-G115 WeakPolarHBondContact CG-O 3.38Å; R112-G115 PolarHBondContact NH1-O 3.09Å
113	F	81.2	Confident	80.2	Confident	2 Å²	2	41.9 Å²	41.9	1%	0.009	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	136.9	179.5	-158.9	-89.8	0	0	0	108	G115 L117 L119 V238 I242 E268 T271 L273 I275	F113-G115 PolarHBondContact O-N 2.7Å; F113-L117 HydrophobicContact CB-CB 4.41Å; F113-L117 HydrophobicContact CB-CD2 4.32Å; F113-L117 HydrophobicContact CB-CG 4.41Å; F113-L117 HydrophobicContact CD1-CD2 4.33Å; F113-L117 PolarHBondContact N-O 2.95Å; F113-L117 WeakPolarHBondContact O-CB 3.35Å; F113-L117 PolarHBondContact O-N 3.47Å; F113-L117 VanDerWaalsContact O-N 3.17Å; F113-L119 HydrophobicContact CB-CD1 4.4Å; F113-L119 HydrophobicContact CB-CG 4.46Å; F113-V238 HydrophobicContact CD1-CG1 3.79Å; F113-V238 HydrophobicContact CD2-CG1 4.25Å; F113-V238 HydrophobicContact CE1-CG1 3.43Å; F113-V238 VanDerWaalsContact CE1-CG1 3.43Å; F113-V238 HydrophobicContact CE2-CG1 3.92Å; F113-V238 HydrophobicContact CG-CG1 4.19Å; F113-V238 HydrophobicContact CZ-CB 4.48Å; F113-V238 HydrophobicContact CZ-CG1 3.5Å; F113-V238 VanDerWaalsContact CZ-CG1 3.5Å; F113-I242 HydrophobicContact CE1-CD1 4Å; F113-I242 HydrophobicContact CE1-CG1 4.48Å; F113-E268 HydrophobicContact CD1-CG 4.15Å; F113-E268 HydrophobicContact CD2-CB 4.37Å; F113-E268 HydrophobicContact CD2-CG 3.75Å; F113-E268 HydrophobicContact CE1-CB 3.88Å; F113-E268 HydrophobicContact CE1-CG 3.9Å; F113-E268 HydrophobicContact CE2-CB 3.6Å; F113-E268 HydrophobicContact CE2-CG 3.5Å; F113-E268 VanDerWaalsContact CE2-CG 3.5Å; F113-E268 HydrophobicContact CG-CG 4.08Å; F113-E268 HydrophobicContact CZ-CB 3.31Å; F113-E268 HydrophobicContact CZ-CG 3.58Å; F113-T271 HydrophobicContact CE2-CG2 4.34Å; F113-L273 HydrophobicContact CE2-CD1 4.19Å; F113-L273 HydrophobicContact CZ-CB 4.41Å; F113-I275 HydrophobicContact CE1-CG1 4.24Å; F113-I275 HydrophobicContact CZ-CG1 4.47Å
114	L	80.6	Confident	82.6	Confident	16 Å²	16	37.6 Å²	37.6	8%	0.084	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	23.7	-179.2	-74.4	175.3	0	0	0	116	N116 I242 I275 T331	L114-N116 PolarHBondContact O-N 2.91Å; L114-N116 PolarHBondContact O-OD1 3.46Å; L114-I242 HydrophobicContact CD1-CD1 3.88Å; L114-I242 HydrophobicContact CD1-CG1 4.1Å; L114-I242 HydrophobicContact CD1-CG2 4.13Å; L114-I275 HydrophobicContact CD1-CD1 4.23Å; L114-I275 HydrophobicContact CD1-CG1 4.3Å; L114-I275 HydrophobicContact CD1-CG2 4.12Å; L114-I275 HydrophobicContact CD2-CD1 3.58Å; L114-I275 HydrophobicContact CD2-CG1 4.49Å; L114-I275 HydrophobicContact CG-CD1 4.15Å; L114-T331 HydrophobicContact CD2-CG2 3.45Å; L114-T331 VanDerWaalsContact CD2-CG2 3.45Å
115	G	74.1	Confident	84.4	Confident	17 Å²	17	33.3 Å²	33.3	18%	0.175	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	-52.9	-178.5	0	0	0	0	0	114.7	R112 F113	R112-G115 VanDerWaalsContact CD-O 3.31Å; R112-G115 WeakPolarHBondContact CD-O 3.4Å; R112-G115 WeakPolarHBondContact CG-O 3.38Å; R112-G115 PolarHBondContact NH1-O 3.09Å; F113-G115 PolarHBondContact O-N 2.7Å
116	N	77.4	Confident	85.4	Confident	26 Å²	26	32.6 Å²	32.6	14%	0.139	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-26.9	-173.3	69.9	-17.8	0	0	0	114.8	S38 M39 L114 D365	S38-N116 CarbonylContact C-O 3.59Å; S38-N116 WeakPolarHBondContact CA-O 3.49Å; S38-N116 WeakPolarHBondContact CB-O 3.35Å; M39-N116 PolarHBondContact N-O 3.31Å; L114-N116 PolarHBondContact O-N 2.91Å; L114-N116 PolarHBondContact O-OD1 3.46Å; N116-D365 PolarHBondContact ND2-OD2 3.46Å
117	L	83.8	Confident	85.9	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	133.8	177	178.3	62.9	0	0	0	110	K41 F113 L119 L241 I242	K41-L117 HydrophobicContact CB-CD1 4.19Å; K41-L117 HydrophobicContact CG-CD1 3.57Å; F113-L117 HydrophobicContact CB-CB 4.41Å; F113-L117 HydrophobicContact CB-CD2 4.32Å; F113-L117 HydrophobicContact CB-CG 4.41Å; F113-L117 HydrophobicContact CD1-CD2 4.33Å; F113-L117 PolarHBondContact N-O 2.95Å; F113-L117 WeakPolarHBondContact O-CB 3.35Å; F113-L117 PolarHBondContact O-N 3.47Å; F113-L117 VanDerWaalsContact O-N 3.17Å; L117-L119 HydrophobicContact CD1-CD2 4.23Å; L117-L119 HydrophobicContact CD2-CD2 4.02Å; L117-L119 HydrophobicContact CG-CD2 4.02Å; L117-L119 HydrophobicContact CG-CG 4.48Å; L117-L241 HydrophobicContact CD2-CB 4.42Å; L117-I242 HydrophobicContact CD2-CG1 4.36Å
118	V	88.3	Confident	86.2	Confident	13 Å²	13	34.6 Å²	34.6	8%	0.079	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	109.7	173.8	176.9	0	0	0	0	108.6	M39 K40 K41 V111 N120	M39-V118 PolarHBondContact O-N 2.99Å; K40-V118 CarbonylContact C-O 3.5Å; K40-V118 WeakPolarHBondContact CA-O 3.48Å; K40-V118 HydrophobicContact CG-CB 4.27Å; K40-V118 HydrophobicContact CG-CG1 4.47Å; K41-V118 PolarHBondContact N-O 2.63Å; V111-V118 WeakPolarHBondContact O-CA 3.45Å; V118-N120 PolarHBondContact O-N 3.02Å
119	L	89.7	Confident	86.4	Confident	5 Å²	5	33.9 Å²	33.9	3%	0.026	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	113.2	173.6	-55.9	-179.8	0	0	0	108.3	K41 V43 V111 F113 L117 L121 V238 L241	K41-L119 HydrophobicContact CB-CD2 4.28Å; V43-L119 HydrophobicContact CG2-CD2 4.41Å; V111-L119 HydrophobicContact CB-CB 4.33Å; V111-L119 PolarHBondContact N-O 2.92Å; V111-L119 PolarHBondContact O-N 2.96Å; F113-L119 HydrophobicContact CB-CD1 4.4Å; F113-L119 HydrophobicContact CB-CG 4.46Å; L117-L119 HydrophobicContact CD1-CD2 4.23Å; L117-L119 HydrophobicContact CD2-CD2 4.02Å; L117-L119 HydrophobicContact CG-CD2 4.02Å; L117-L119 HydrophobicContact CG-CG 4.48Å; L119-L121 PolarHBondContact O-N 3.06Å; L119-V238 HydrophobicContact CD1-CG2 4.16Å; L119-L241 HydrophobicContact CD2-CD1 3.7Å
120	N	92.6	Very high	86.5	Confident	24 Å²	24	33.1 Å²	33.1	13%	0.128	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	91.5	169.5	-60.3	-30.5	0	0	0	107	K41 V43 H110 V118	K41-N120 PolarHBondContact O-N 2.9Å; V43-N120 PolarHBondContact N-O 2.84Å; H110-N120 PolarHBondContact CE1-OD1 3.05Å; H110-N120 PolarHBondContact ND1-OD1 2.96Å; V118-N120 PolarHBondContact O-N 3.02Å
121	L	92	Very high	86.6	Confident	2 Å²	2	26.5 Å²	26.5	1%	0.01	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	123.5	-178.4	-167.1	162.3	0	0	0	109.2	V43 L45 R57 F61 S109 L119 D123 W234	V43-L121 WeakPolarHBondContact O-CA 3.26Å; L45-L121 HydrophobicContact CB-CD2 4.23Å; L45-L121 HydrophobicContact CD2-CD2 4.16Å; R57-L121 HydrophobicContact CG-CD1 4.01Å; R57-L121 HydrophobicContact CG-CD2 3.96Å; F61-L121 HydrophobicContact CD2-CD1 4.01Å; F61-L121 HydrophobicContact CE2-CD1 3.66Å; F61-L121 HydrophobicContact CZ-CD1 4.47Å; S109-L121 PolarHBondContact N-O 3.35Å; S109-L121 PolarHBondContact O-N 3.37Å; L119-L121 PolarHBondContact O-N 3.06Å; L121-D123 HydrophobicContact CD2-CB 4.18Å; L121-W234 HydrophobicContact CD1-CH2 3.79Å; L121-W234 HydrophobicContact CD1-CZ3 4.15Å
122	W	94.3	Very high	86.7	Confident	37 Å²	37	30.4 Å²	30.4	14%	0.14	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	102.4	179.7	-69.7	42.2	0	0	0	107.6	K42 V43 L44 L45 V106 H108 I142	K42-W122 HydrophobicContact CD-CZ2 4.46Å; V43-W122 PolarHBondContact O-N 3.45Å; L44-W122 HydrophobicContact CD2-CB 3.76Å; L44-W122 HydrophobicContact CD2-CD2 4.26Å; L44-W122 HydrophobicContact CD2-CE3 4.26Å; L44-W122 HydrophobicContact CD2-CG 4.08Å; L45-W122 PolarHBondContact N-O 3.17Å; V106-W122 HydrophobicContact CG1-CB 3.86Å; V106-W122 HydrophobicContact CG1-CD2 4.43Å; V106-W122 HydrophobicContact CG1-CE3 4.11Å; V106-W122 HydrophobicContact CG1-CG 4.38Å; H108-W122 AromaticContact CE1-CD2 3.48Å; H108-W122 VanDerWaalsContact CE1-CD2 3.48Å; H108-W122 AromaticContact CE1-CE2 3.65Å; H108-W122 AromaticContact CE1-CE3 3.53Å; H108-W122 AromaticContact CE1-CH2 3.88Å; H108-W122 AromaticContact CE1-CZ2 3.86Å; H108-W122 AromaticContact CE1-CZ3 3.72Å; H108-W122 AromaticContact ND1-CD1 3.78Å; H108-W122 AromaticContact ND1-CD2 3.44Å; H108-W122 AromaticContact ND1-CE2 3.51Å; H108-W122 AromaticContact ND1-CE3 3.97Å; H108-W122 AromaticContact ND1-CG 3.6Å; H108-W122 AromaticContact ND1-NE1 3.71Å; W122-I142 HydrophobicContact CE3-CD1 4.1Å; W122-I142 HydrophobicContact CZ3-CD1 4.02Å
123	D	91.9	Very high	86.9	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	104.5	175.8	-170.3	4.4	0	0	0	108.7	L45 K53 T54 R57 E107 L121	L45-D123 HydrophobicContact CD2-CB 4.43Å; K53-D123 VanDerWaalsContact CB-OD1 3.32Å; K53-D123 WeakPolarHBondContact CB-OD1 3.46Å; T54-D123 WeakPolarHBondContact CA-OD2 3.36Å; T54-D123 WeakPolarHBondContact CB-OD2 3.5Å; T54-D123 PolarHBondContact N-OD2 2.63Å; T54-D123 PolarHBondContact OG1-OD2 3.04Å; R57-D123 IonicContact CZ-OD2 2.77Å; R57-D123 IonicContact NE-OD2 3.61Å; R57-D123 VanDerWaalsContact NH1-CB 3.35Å; R57-D123 IonicContact NH1-OD2 2.7Å; R57-D123 PolarHBondContact NH1-OD2 3.21Å; E107-D123 HydrophobicContact CB-CB 4.46Å; E107-D123 PolarHBondContact N-O 2.74Å; E107-D123 PolarHBondContact O-N 3.25Å; L121-D123 HydrophobicContact CD2-CB 4.18Å
124	C	91	Very high	87.4	Confident	1 Å²	1	26 Å²	26	1%	0.007	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	134.4	-172.9	-63	0	0	0	0	111.2	L45 M46 K53 V106 G126 Y134	L45-C124 PolarHBondContact O-N 3.13Å; M46-C124 HydrophobicContact CE-CB 4.37Å; M46-C124 HydrophobicContact CG-CB 4.08Å; K53-C124 WeakPolarHBondContact CE-O 3.46Å; V106-C124 HydrophobicContact CG2-CB 4.44Å; C124-G126 PolarHBondContact O-N 3.25Å; C124-Y134 HydrophobicContact CB-CE2 3.68Å
125	G	88.2	Confident	87.8	Confident	3 Å²	3	26.5 Å²	26.5	3%	0.031	14%	0.141	C	C	.	.			trans	-57.8	119.4	173.1	0	0	0	0	0	111.9	D105 Q127 F130 Y134	D105-G125 PolarHBondContact O-N 3.31Å; G125-Q127 VanDerWaalsContact C-N 3.28Å; G125-Q127 PolarHBondContact O-N 3.38Å; G125-F130 WeakPolarHBondContact O-CB 3.34Å; G125-Y134 PolarHBondContact N-OH 3.43Å; G125-Y134 WeakPolarHBondContact O-CE2 2.96Å; G125-Y134 PolarHBondContact O-OH 3.15Å
126	G	87.5	Confident	88.4	Confident	4 Å²	4	30.4 Å²	30.4	4%	0.041	16%	0.161	C	C	.	.			trans	-85.6	19.4	-174.8	0	0	0	0	0	115.7	G47 K48 S49 C124	G47-G126 VanDerWaalsContact O-CA 3.3Å; G47-G126 WeakPolarHBondContact O-CA 3.45Å; K48-G126 CarbonylContact C-O 3.54Å; S49-G126 WeakPolarHBondContact CB-O 3.46Å; S49-G126 PolarHBondContact N-O 3.42Å; C124-G126 PolarHBondContact O-N 3.25Å
127	Q	87	Confident	88.8	Confident	61 Å²	61	34 Å²	34	29%	0.285	19%	0.188	S	C	.	.	S	Bend	trans	-82	146.5	178.5	-56.5	-175.3	10.4	0	0	109.5	I76 G125 T129 F130 M131	I76-Q127 VanDerWaalsContact CD1-NE2 3.32Å; G125-Q127 VanDerWaalsContact C-N 3.28Å; G125-Q127 PolarHBondContact O-N 3.38Å; Q127-T129 VanDerWaalsContact C-N 3.26Å; Q127-T129 PolarHBondContact O-N 2.94Å; Q127-F130 HydrophobicContact CB-CD2 3.66Å; Q127-F130 HydrophobicContact CB-CE2 4.12Å; Q127-F130 HydrophobicContact CB-CG 4.36Å; Q127-F130 HydrophobicContact CG-CD2 3.91Å; Q127-F130 HydrophobicContact CG-CE2 4Å; Q127-F130 WeakPolarHBondContact O-CA 3.47Å; Q127-F130 WeakPolarHBondContact O-CB 3.44Å; Q127-F130 PolarHBondContact O-N 3.25Å; Q127-M131 WeakPolarHBondContact O-CG 3.43Å; Q127-M131 PolarHBondContact O-N 2.87Å
128	D	87.1	Confident	88.9	Confident	61 Å²	61	36.6 Å²	36.6	33%	0.326	20%	0.201	S	C	.	.	H	α-helix	trans	-52.2	-43.8	-174.6	-61.8	-18.1	0	0	0	112.5	F130 M131 E132 K162 Y166	D128-F130 PolarHBondContact O-N 2.52Å; D128-M131 PolarHBondContact O-N 3.49Å; D128-E132 WeakPolarHBondContact O-CG 2.96Å; D128-E132 PolarHBondContact O-N 2.67Å; D128-K162 VanDerWaalsContact CG-NZ 3.29Å; D128-K162 WeakPolarHBondContact OD1-CE 3.45Å; D128-K162 IonicContact OD1-NZ 3.5Å; D128-K162 PolarHBondContact OD1-NZ 3.31Å; D128-K162 IonicContact OD2-NZ 2.68Å; D128-K162 PolarHBondContact OD2-NZ 2.84Å; D128-Y166 WeakPolarHBondContact CB-OH 3.42Å; D128-Y166 PolarHBondContact OD1-OH 2.89Å
129	T	87.2	Confident	89	Confident	82 Å²	82	38.8 Å²	38.8	50%	0.503	21%	0.207	S	C	.	.	H	α-helix	trans	-62.3	-36.2	177	49.7	0	0	0	0	113.7	Q127 N133	Q127-T129 VanDerWaalsContact C-N 3.26Å; Q127-T129 PolarHBondContact O-N 2.94Å; T129-N133 PolarHBondContact O-N 3.18Å; T129-N133 PolarHBondContact O-ND2 2.85Å; T129-N133 VanDerWaalsContact O-ND2 3.08Å
130	F	88.2	Confident	88.9	Confident	16 Å²	16	43.8 Å²	43.8	7%	0.07	23%	0.234	C	C	.	.	H	α-helix	trans	-73.7	-42.4	175.2	-63.4	-36.7	0	0	0	111	I76 T103 D105 G125 Q127 D128 E132 N133 Y134	I76-F130 HydrophobicContact CD1-CE2 4.11Å; I76-F130 HydrophobicContact CD1-CZ 4.16Å; I76-F130 HydrophobicContact CG1-CE2 4.31Å; I76-F130 HydrophobicContact CG1-CZ 4.44Å; T103-F130 HydrophobicContact CG2-CE1 4.27Å; T103-F130 HydrophobicContact CG2-CZ 4.33Å; D105-F130 WeakPolarHBondContact OD1-CB 3.43Å; D105-F130 VanDerWaalsContact OD1-CD1 3.31Å; D105-F130 WeakPolarHBondContact OD1-CD1 3.36Å; D105-F130 WeakPolarHBondContact OD1-CG 3.17Å; G125-F130 WeakPolarHBondContact O-CB 3.34Å; Q127-F130 HydrophobicContact CB-CD2 3.66Å; Q127-F130 HydrophobicContact CB-CE2 4.12Å; Q127-F130 HydrophobicContact CB-CG 4.36Å; Q127-F130 HydrophobicContact CG-CD2 3.91Å; Q127-F130 HydrophobicContact CG-CE2 4Å; Q127-F130 WeakPolarHBondContact O-CA 3.47Å; Q127-F130 WeakPolarHBondContact O-CB 3.44Å; Q127-F130 PolarHBondContact O-N 3.25Å; D128-F130 PolarHBondContact O-N 2.52Å; F130-E132 PolarHBondContact O-N 2.71Å; F130-N133 WeakPolarHBondContact O-CB 3.45Å; F130-N133 PolarHBondContact O-N 3.41Å; F130-N133 VanDerWaalsContact O-N 3.15Å; F130-Y134 HydrophobicContact CB-CE2 4.23Å; F130-Y134 WeakPolarHBondContact O-CD2 3.5Å; F130-Y134 VanDerWaalsContact O-CG 3.25Å; F130-Y134 PolarHBondContact O-N 2.84Å
131	M	87.6	Confident	88.7	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-58.8	-46.4	175.7	-66.4	-66.3	-69.5	0	0	111.5	M46 Q127 D128 N133 Y134 F135 Y166	M46-M131 HydrophobicContact CE-CE 4.3Å; M46-M131 HydrophobicContact CE-SD 4.16Å; Q127-M131 WeakPolarHBondContact O-CG 3.43Å; Q127-M131 PolarHBondContact O-N 2.87Å; D128-M131 PolarHBondContact O-N 3.49Å; M131-N133 VanDerWaalsContact C-N 3.34Å; M131-N133 PolarHBondContact O-N 2.91Å; M131-Y134 WeakPolarHBondContact O-CB 3.35Å; M131-Y134 PolarHBondContact O-N 2.87Å; M131-Y134 HydrophobicContact SD-CD2 3.95Å; M131-Y134 HydrophobicContact SD-CE2 4.04Å; M131-F135 HydrophobicContact CB-CE2 4.2Å; M131-F135 HydrophobicContact CE-CE2 3.98Å; M131-F135 HydrophobicContact CE-CZ 3.86Å; M131-F135 WeakPolarHBondContact O-CD2 3.33Å; M131-F135 WeakPolarHBondContact O-CE2 3.16Å; M131-F135 PolarHBondContact O-N 3.31Å; M131-Y166 HydrophobicContact CB-CD1 4.3Å; M131-Y166 HydrophobicContact CB-CE1 4.04Å; M131-Y166 HydrophobicContact CE-CD1 4.38Å; M131-Y166 HydrophobicContact CE-CG 4.06Å
132	E	88.1	Confident	88.8	Confident	110 Å²	110	47 Å²	47	51%	0.514	25%	0.252	S	S	.	.	H	α-helix	trans	-59.6	-41.5	174.5	-73.8	172.5	-171	0	0	112.4	D128 F130 Y134 F135 T136	D128-E132 WeakPolarHBondContact O-CG 2.96Å; D128-E132 PolarHBondContact O-N 2.67Å; F130-E132 PolarHBondContact O-N 2.71Å; E132-Y134 VanDerWaalsContact C-N 3.34Å; E132-Y134 PolarHBondContact O-N 3.38Å; E132-F135 PolarHBondContact O-N 2.84Å; E132-T136 WeakPolarHBondContact O-CB 3.26Å; E132-T136 WeakPolarHBondContact O-CG2 3.36Å; E132-T136 PolarHBondContact O-N 2.85Å; E132-T136 VanDerWaalsContact O-N 3.09Å; E132-T136 PolarHBondContact O-OG1 2.81Å
133	N	88	Confident	88.8	Confident	66 Å²	66	45.3 Å²	45.3	35%	0.353	25%	0.245	S	C	.	.	H	α-helix	trans	-64.5	-34.9	175.5	-74.1	-26.9	0	0	0	112.8	T129 F130 M131 S137 Q138	T129-N133 PolarHBondContact O-N 3.18Å; T129-N133 PolarHBondContact O-ND2 2.85Å; T129-N133 VanDerWaalsContact O-ND2 3.08Å; F130-N133 WeakPolarHBondContact O-CB 3.45Å; F130-N133 PolarHBondContact O-N 3.41Å; F130-N133 VanDerWaalsContact O-N 3.15Å; M131-N133 VanDerWaalsContact C-N 3.34Å; M131-N133 PolarHBondContact O-N 2.91Å; N133-S137 PolarHBondContact O-N 3.22Å; N133-Q138 PolarHBondContact O-N 3.26Å
134	Y	90.1	Very high	88.9	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-66	-39	174.5	-56.8	-33.7	0	0	0	112.7	M46 D105 V106 C124 G125 F130 M131 E132 Q138 R139 I142	M46-Y134 HydrophobicContact CE-CD2 3.6Å; M46-Y134 HydrophobicContact CE-CE2 4.19Å; M46-Y134 HydrophobicContact CE-CG 4.37Å; D105-Y134 VanDerWaalsContact CG-CE1 3.45Å; D105-Y134 PolarHBondContact O-OH 2.91Å; D105-Y134 WeakPolarHBondContact OD1-CE1 3.47Å; D105-Y134 PolarHBondContact OD1-OH 2.9Å; D105-Y134 WeakPolarHBondContact OD2-CE1 3.07Å; V106-Y134 HydrophobicContact CG2-CE1 3.7Å; C124-Y134 HydrophobicContact CB-CE2 3.68Å; G125-Y134 PolarHBondContact N-OH 3.43Å; G125-Y134 WeakPolarHBondContact O-CE2 2.96Å; G125-Y134 PolarHBondContact O-OH 3.15Å; F130-Y134 HydrophobicContact CB-CE2 4.23Å; F130-Y134 WeakPolarHBondContact O-CD2 3.5Å; F130-Y134 VanDerWaalsContact O-CG 3.25Å; F130-Y134 PolarHBondContact O-N 2.84Å; M131-Y134 WeakPolarHBondContact O-CB 3.35Å; M131-Y134 PolarHBondContact O-N 2.87Å; M131-Y134 HydrophobicContact SD-CD2 3.95Å; M131-Y134 HydrophobicContact SD-CE2 4.04Å; E132-Y134 VanDerWaalsContact C-N 3.34Å; E132-Y134 PolarHBondContact O-N 3.38Å; Y134-Q138 CarbonylContact O-C 3.59Å; Y134-R139 WeakPolarHBondContact O-CA 3.32Å; Y134-R139 PolarHBondContact O-N 2.85Å; Y134-I142 HydrophobicContact CD1-CD1 3.9Å; Y134-I142 HydrophobicContact CD1-CG1 3.91Å; Y134-I142 HydrophobicContact CE1-CD1 4.2Å; Y134-I142 HydrophobicContact CG-CG1 4.4Å
135	F	89.4	Confident	89.1	Confident	26 Å²	26	58.1 Å²	58.1	11%	0.114	30%	0.302	C	S	.	.	H	α-helix	trans	-81.5	-22.3	-177.5	-58.8	-53.2	0	0	0	113.9	M131 E132 R139 F143 Y166 C170	M131-F135 HydrophobicContact CB-CE2 4.2Å; M131-F135 HydrophobicContact CE-CE2 3.98Å; M131-F135 HydrophobicContact CE-CZ 3.86Å; M131-F135 WeakPolarHBondContact O-CD2 3.33Å; M131-F135 WeakPolarHBondContact O-CE2 3.16Å; M131-F135 PolarHBondContact O-N 3.31Å; E132-F135 PolarHBondContact O-N 2.84Å; F135-R139 PolarHBondContact O-NH1 2.94Å; F135-F143 HydrophobicContact CD1-CE2 4.01Å; F135-F143 HydrophobicContact CD1-CZ 4.13Å; F135-F143 HydrophobicContact CE1-CE2 4.13Å; F135-F143 AromaticContact CE1-CZ 3.75Å; F135-F143 HydrophobicContact CE1-CZ 3.75Å; F135-Y166 AromaticContact CE2-CD1 3.83Å; F135-Y166 HydrophobicContact CE2-CD1 3.83Å; F135-Y166 HydrophobicContact CE2-CE1 4.45Å; F135-C170 HydrophobicContact CE1-CB 4.36Å; F135-C170 VanDerWaalsContact CE1-SG 3.59Å; F135-C170 VanDerWaalsContact CZ-SG 3.54Å
136	T	88.1	Confident	89.5	Confident	98 Å²	98	58.4 Å²	58.4	60%	0.601	30%	0.303	S	S	*	.	H	α-helix	trans	-101.4	-74.1	-178.7	57.4	0	0	0	0	112.3	E132	E132-T136 WeakPolarHBondContact O-CB 3.26Å; E132-T136 WeakPolarHBondContact O-CG2 3.36Å; E132-T136 PolarHBondContact O-N 2.85Å; E132-T136 VanDerWaalsContact O-N 3.09Å; E132-T136 PolarHBondContact O-OG1 2.81Å
137	S	85.8	Confident	89.9	Confident	101 Å²	101	61.6 Å²	61.6	71%	0.706	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-28.1	-165.6	-59.9	0	0	0	0	113.8	N133	N133-S137 PolarHBondContact O-N 3.22Å
138	Q	85.5	Confident	90.4	Very high	57 Å²	57	58.7 Å²	58.7	27%	0.266	30%	0.303	S	S	.	.	S	Bend	trans	-112.7	8.8	-176.1	-61.8	-174.6	47.1	0	0	114.1	D105 N133 Y134 D140 N141 I142	D105-Q138 PolarHBondContact OD2-NE2 3.44Å; N133-Q138 PolarHBondContact O-N 3.26Å; Y134-Q138 CarbonylContact O-C 3.59Å; Q138-D140 PolarHBondContact O-N 3.08Å; Q138-N141 WeakPolarHBondContact O-CB 3.11Å; Q138-N141 PolarHBondContact O-N 2.66Å; Q138-I142 HydrophobicContact CB-CG1 3.91Å; Q138-I142 WeakPolarHBondContact O-CG1 3.48Å; Q138-I142 PolarHBondContact O-N 3.37Å
139	R	89.4	Confident	90.9	Very high	58 Å²	58	55.8 Å²	55.8	22%	0.219	29%	0.288	C	S	.	.	H	α-helix	trans	-48	-54.7	-171.4	-166.5	-174	-174.8	104.3	-2.7	112.7	Y134 F135 N141 I142 F143 A173	Y134-R139 WeakPolarHBondContact O-CA 3.32Å; Y134-R139 PolarHBondContact O-N 2.85Å; F135-R139 PolarHBondContact O-NH1 2.94Å; R139-N141 VanDerWaalsContact C-N 3.3Å; R139-N141 PolarHBondContact O-N 3.18Å; R139-I142 PolarHBondContact O-N 3.2Å; R139-F143 HydrophobicContact CG-CD2 4.15Å; R139-F143 WeakPolarHBondContact O-CB 3.33Å; R139-F143 WeakPolarHBondContact O-CD2 2.96Å; R139-F143 PolarHBondContact O-N 2.9Å; R139-A173 HydrophobicContact CG-CB 4.37Å
140	D	87.6	Confident	91.4	Very high	110 Å²	110	51.9 Å²	51.9	59%	0.588	26%	0.264	S	S	*	.	H	α-helix	trans	-68.6	-28.1	-176.9	-57.9	-9	0	0	0	112.8	Q138 R144	Q138-D140 PolarHBondContact O-N 3.08Å; D140-R144 WeakPolarHBondContact O-CB 3.33Å
141	N	89.7	Confident	91.9	Very high	95 Å²	95	51.1 Å²	51.1	51%	0.508	26%	0.261	S	S	.	.	H	α-helix	trans	-76.9	-43.1	177.1	-177.5	45.2	0	0	0	111.4	K42 Q138 R139	K42-N141 PolarHBondContact NZ-O 3.11Å; Q138-N141 WeakPolarHBondContact O-CB 3.11Å; Q138-N141 PolarHBondContact O-N 2.66Å; R139-N141 VanDerWaalsContact C-N 3.3Å; R139-N141 PolarHBondContact O-N 3.18Å
142	I	92.8	Very high	92.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-72.1	-51.2	-178.7	-61.3	-71.4	0	0	0	110.6	K42 L44 V106 W122 Y134 Q138 R139	K42-I142 VanDerWaalsContact CE-O 3.25Å; K42-I142 WeakPolarHBondContact CE-O 3.49Å; K42-I142 PolarHBondContact NZ-O 2.98Å; L44-I142 HydrophobicContact CD1-CG2 4.02Å; L44-I142 HydrophobicContact CD2-CG2 4.35Å; V106-I142 HydrophobicContact CG2-CD1 3.8Å; W122-I142 HydrophobicContact CE3-CD1 4.1Å; W122-I142 HydrophobicContact CZ3-CD1 4.02Å; Y134-I142 HydrophobicContact CD1-CD1 3.9Å; Y134-I142 HydrophobicContact CD1-CG1 3.91Å; Y134-I142 HydrophobicContact CE1-CD1 4.2Å; Y134-I142 HydrophobicContact CG-CG1 4.4Å; Q138-I142 HydrophobicContact CB-CG1 3.91Å; Q138-I142 WeakPolarHBondContact O-CG1 3.48Å; Q138-I142 PolarHBondContact O-N 3.37Å; R139-I142 PolarHBondContact O-N 3.2Å
143	F	95.4	Very high	92.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-94	-2.8	-166.9	-62.7	-75.1	0	0	0	115.4	L44 M46 F135 R139 V146 C170 A173 I174 N177 S178	L44-F143 HydrophobicContact CD1-CD1 3.87Å; L44-F143 HydrophobicContact CD1-CE1 4.06Å; M46-F143 HydrophobicContact CE-CE1 4.45Å; M46-F143 HydrophobicContact CE-CZ 3.99Å; M46-F143 HydrophobicContact SD-CE1 3.74Å; M46-F143 HydrophobicContact SD-CZ 3.89Å; F135-F143 HydrophobicContact CD1-CE2 4.01Å; F135-F143 HydrophobicContact CD1-CZ 4.13Å; F135-F143 HydrophobicContact CE1-CE2 4.13Å; F135-F143 AromaticContact CE1-CZ 3.75Å; F135-F143 HydrophobicContact CE1-CZ 3.75Å; R139-F143 HydrophobicContact CG-CD2 4.15Å; R139-F143 WeakPolarHBondContact O-CB 3.33Å; R139-F143 WeakPolarHBondContact O-CD2 2.96Å; R139-F143 PolarHBondContact O-N 2.9Å; F143-V146 WeakPolarHBondContact O-CG2 3.3Å; F143-C170 HydrophobicContact CE1-CB 4.33Å; F143-A173 HydrophobicContact CB-CB 4.19Å; F143-A173 HydrophobicContact CD1-CB 3.91Å; F143-A173 HydrophobicContact CD2-CB 3.49Å; F143-A173 VanDerWaalsContact CD2-CB 3.49Å; F143-A173 HydrophobicContact CE1-CB 4.14Å; F143-A173 HydrophobicContact CE2-CB 3.75Å; F143-A173 HydrophobicContact CG-CB 3.58Å; F143-A173 HydrophobicContact CZ-CB 4.07Å; F143-I174 HydrophobicContact CD1-CD1 3.83Å; F143-I174 HydrophobicContact CD1-CG1 3.93Å; F143-I174 HydrophobicContact CE1-CG1 4.46Å; F143-N177 HydrophobicContact CB-CB 4.05Å; F143-N177 VanDerWaalsContact O-CB 3.26Å; F143-N177 WeakPolarHBondContact O-CB 3.41Å; F143-S178 PolarHBondContact O-OG 2.72Å
144	R	94.1	Very high	93.2	Very high	154 Å²	154	44.9 Å²	44.9	58%	0.581	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	144.6	175.1	-177.4	174	-178.2	175.6	3.8	113.3	K42 D140 V146	K42-R144 PolarHBondContact NZ-O 2.96Å; D140-R144 WeakPolarHBondContact O-CB 3.33Å; R144-V146 PolarHBondContact O-N 2.7Å
145	N	94.2	Very high	93.5	Very high	117 Å²	117	46 Å²	46	63%	0.626	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	37.7	179.3	-58.6	-4.6	0	0	0	112.7	K42 S178	K42-N145 VanDerWaalsContact CB-O 3.3Å; K42-N145 WeakPolarHBondContact CB-O 3.39Å; N145-S178 PolarHBondContact N-OG 2.84Å
146	V	96.4	Very high	93.8	Very high	8 Å²	8	50.5 Å²	50.5	5%	0.048	26%	0.258	C	S	.	.			trans	-83.5	130.1	176.8	179.8	0	0	0	0	108.6	K42 L44 F143 R144 V148 I174 S178 A181	K42-V146 HydrophobicContact CD-CG2 4.22Å; L44-V146 HydrophobicContact CD1-CG1 4.12Å; L44-V146 HydrophobicContact CD1-CG2 3.63Å; L44-V146 HydrophobicContact CD2-CG2 4.43Å; L44-V146 HydrophobicContact CG-CG1 3.91Å; L44-V146 HydrophobicContact CG-CG2 3.8Å; F143-V146 WeakPolarHBondContact O-CG2 3.3Å; R144-V146 PolarHBondContact O-N 2.7Å; V146-V148 WeakPolarHBondContact CG1-O 3.39Å; V146-I174 HydrophobicContact CB-CD1 3.88Å; V146-I174 HydrophobicContact CG1-CD1 3.83Å; V146-I174 HydrophobicContact CG2-CD1 4.04Å; V146-S178 PolarHBondContact N-OG 3.06Å; V146-A181 HydrophobicContact CB-CB 4.35Å; V146-A181 HydrophobicContact CG1-CB 4.14Å; V146-A181 WeakPolarHBondContact O-CB 3.48Å
147	E	95.9	Very high	94	Very high	71 Å²	71	46.6 Å²	46.6	33%	0.332	24%	0.235	S	C	.	.	S	Bend	trans	-98.5	-35	178.5	-66.4	-94.6	-171.4	0	0	110.5	K41 K42 K182 L241	K41-E147 HydrophobicContact CB-CB 4.47Å; K41-E147 HydrophobicContact CB-CG 4.3Å; K41-E147 HydrophobicContact CD-CB 4.14Å; K41-E147 HydrophobicContact CD-CG 3.54Å; K41-E147 VanDerWaalsContact CD-OE1 3.25Å; K41-E147 WeakPolarHBondContact CD-OE1 3.45Å; K41-E147 VanDerWaalsContact CD-OE2 3.31Å; K41-E147 WeakPolarHBondContact CD-OE2 3.43Å; K41-E147 WeakPolarHBondContact CE-OE2 3.48Å; K41-E147 IonicContact NZ-OE1 3.06Å; K41-E147 PolarHBondContact NZ-OE1 2.83Å; K41-E147 IonicContact NZ-OE2 2.82Å; K41-E147 PolarHBondContact NZ-OE2 2.84Å; K42-E147 PolarHBondContact O-N 3.29Å; E147-K182 PolarHBondContact O-N 2.83Å; E147-L241 HydrophobicContact CB-CD2 4.17Å
148	V	97.3	Very high	94.3	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	132.7	178	168.6	0	0	0	0	110.2	K42 V43 L44 V146 I150 K182 F184 I237 L241	K42-V148 PolarHBondContact O-N 2.92Å; V43-V148 WeakPolarHBondContact CA-O 3.45Å; V43-V148 HydrophobicContact CG1-CB 4.24Å; V43-V148 HydrophobicContact CG1-CG1 4.06Å; V43-V148 HydrophobicContact CG2-CB 4.37Å; L44-V148 PolarHBondContact N-O 2.98Å; V146-V148 WeakPolarHBondContact CG1-O 3.39Å; V148-I150 HydrophobicContact CG1-CG1 3.76Å; V148-K182 CarbonylContact C-O 3.6Å; V148-K182 VanDerWaalsContact CA-O 3.31Å; V148-K182 WeakPolarHBondContact CA-O 3.47Å; V148-K182 HydrophobicContact CG2-CB 4.28Å; V148-F184 HydrophobicContact CG1-CD2 3.68Å; V148-F184 HydrophobicContact CG1-CE2 3.92Å; V148-F184 HydrophobicContact CG2-CE2 4.18Å; V148-I237 HydrophobicContact CG1-CG2 4.1Å; V148-L241 HydrophobicContact CG2-CD1 4.03Å; V148-L241 HydrophobicContact CG2-CD2 3.68Å; V148-L241 HydrophobicContact CG2-CG 3.93Å
149	L	97.9	Very high	94.7	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	122.4	162.1	172.7	62.3	0	0	0	109.2	L44 M46 C170 I174 K182 I183 F184	L44-L149 HydrophobicContact CB-CD1 3.83Å; L44-L149 HydrophobicContact CD1-CD1 4.47Å; M46-L149 HydrophobicContact CB-CD1 4.17Å; M46-L149 HydrophobicContact CG-CD1 4.06Å; M46-L149 HydrophobicContact SD-CD1 4.18Å; L149-C170 HydrophobicContact CD2-CB 4.25Å; L149-I174 HydrophobicContact CD2-CG1 4Å; L149-K182 PolarHBondContact N-O 2.93Å; L149-I183 HydrophobicContact CD2-CG2 4.46Å; L149-F184 PolarHBondContact O-N 3.25Å
150	I	98.3	Very high	94.8	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	110.3	168.1	-48.7	173.4	0	0	0	107.2	V43 L44 L45 M46 V148 V152 F184 L186 W234 I237	V43-I150 HydrophobicContact CG1-CD1 3.64Å; V43-I150 HydrophobicContact CG1-CG1 4.03Å; L44-I150 PolarHBondContact O-N 2.8Å; L45-I150 WeakPolarHBondContact CA-O 3.31Å; L45-I150 HydrophobicContact CD1-CB 3.82Å; L45-I150 HydrophobicContact CD1-CD1 4.48Å; L45-I150 HydrophobicContact CD1-CG2 3.72Å; M46-I150 PolarHBondContact N-O 3.32Å; V148-I150 HydrophobicContact CG1-CG1 3.76Å; I150-V152 HydrophobicContact CG2-CG2 4.39Å; I150-F184 CarbonylContact C-O 3.56Å; I150-F184 WeakPolarHBondContact CA-O 3.42Å; I150-L186 HydrophobicContact CG2-CD1 3.56Å; I150-L186 HydrophobicContact CG2-CG 3.78Å; I150-W234 HydrophobicContact CD1-CE3 4.38Å; I150-W234 HydrophobicContact CD1-CH2 3.34Å; I150-W234 HydrophobicContact CD1-CZ2 3.98Å; I150-W234 HydrophobicContact CD1-CZ3 3.58Å; I150-I237 HydrophobicContact CD1-CD1 4.04Å; I150-I237 HydrophobicContact CD1-CG2 4.08Å; I150-I237 HydrophobicContact CG1-CD1 4.22Å; I150-I237 HydrophobicContact CG1-CG2 4.44Å; I150-I237 HydrophobicContact CG2-CD1 4.41Å
151	Y	98.3	Very high	95	Very high	1 Å²	1	58.4 Å²	58.4	0%	0.004	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	129.2	175.8	-159.1	-82	0	0	0	110.5	M46 F153 D163 Y166 Y167 C170 F184 C185 L186	M46-Y151 HydrophobicContact CB-CD2 3.94Å; M46-Y151 HydrophobicContact CB-CE2 4.26Å; M46-Y151 CarbonylContact O-C 3.5Å; M46-Y151 WeakPolarHBondContact O-CA 3.41Å; Y151-F153 HydrophobicContact CD1-CD1 4.34Å; Y151-F153 AromaticContact CD1-CD2 3.94Å; Y151-F153 HydrophobicContact CD1-CD2 3.94Å; Y151-F153 AromaticContact CD1-CE1 3.9Å; Y151-F153 HydrophobicContact CD1-CE1 3.9Å; Y151-F153 AromaticContact CD1-CE2 3.44Å; Y151-F153 HydrophobicContact CD1-CE2 3.44Å; Y151-F153 VanDerWaalsContact CD1-CE2 3.44Å; Y151-F153 HydrophobicContact CD1-CG 4.36Å; Y151-F153 AromaticContact CD1-CZ 3.42Å; Y151-F153 HydrophobicContact CD1-CZ 3.42Å; Y151-F153 VanDerWaalsContact CD1-CZ 3.42Å; Y151-F153 HydrophobicContact CE1-CD1 4.09Å; Y151-F153 HydrophobicContact CE1-CD2 4.5Å; Y151-F153 AromaticContact CE1-CE1 3.58Å; Y151-F153 HydrophobicContact CE1-CE1 3.58Å; Y151-F153 HydrophobicContact CE1-CE2 4.04Å; Y151-F153 AromaticContact CE1-CZ 3.55Å; Y151-F153 HydrophobicContact CE1-CZ 3.55Å; Y151-F153 HydrophobicContact CG-CE2 4.38Å; Y151-F153 HydrophobicContact CG-CZ 4.46Å; Y151-D163 PolarHBondContact OH-O 2.63Å; Y151-Y166 WeakPolarHBondContact OH-CB 3.28Å; Y151-Y167 AromaticContact CD1-CD2 3.83Å; Y151-Y167 HydrophobicContact CD1-CD2 3.83Å; Y151-Y167 HydrophobicContact CD1-CG 4.44Å; Y151-Y167 AromaticContact CD2-CD2 3.81Å; Y151-Y167 HydrophobicContact CD2-CD2 3.81Å; Y151-Y167 HydrophobicContact CE1-CD2 4.2Å; Y151-Y167 HydrophobicContact CE1-CG 4.45Å; Y151-Y167 HydrophobicContact CE2-CD2 4.19Å; Y151-Y167 AromaticContact CG-CD2 3.59Å; Y151-Y167 HydrophobicContact CG-CD2 3.59Å; Y151-Y167 HydrophobicContact CG-CE2 4.17Å; Y151-Y167 PolarHBondContact OH-N 3.32Å; Y151-C170 HydrophobicContact CD2-CB 4.46Å; Y151-C170 HydrophobicContact CE2-CB 4.38Å; Y151-F184 PolarHBondContact N-O 2.91Å; Y151-C185 CarbonylContact O-C 3.56Å; Y151-C185 WeakPolarHBondContact O-CA 3.02Å; Y151-L186 PolarHBondContact O-N 2.91Å
152	V	98.1	Very high	95.2	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	112	-170.7	-174.2	0	0	0	0	110.7	L45 M46 S51 K53 M56 I150 L186 H188	L45-V152 HydrophobicContact CD1-CG2 3.66Å; M46-V152 PolarHBondContact O-N 3.37Å; S51-V152 WeakPolarHBondContact CB-O 3.33Å; S51-V152 WeakPolarHBondContact O-CG1 3.34Å; S51-V152 PolarHBondContact OG-O 2.91Å; K53-V152 HydrophobicContact CG-CB 3.95Å; K53-V152 HydrophobicContact CG-CG1 4.47Å; K53-V152 HydrophobicContact CG-CG2 3.85Å; M56-V152 HydrophobicContact CE-CB 4.12Å; M56-V152 HydrophobicContact CE-CG1 3.43Å; M56-V152 VanDerWaalsContact CE-CG1 3.43Å; M56-V152 HydrophobicContact CE-CG2 3.51Å; I150-V152 HydrophobicContact CG2-CG2 4.39Å; V152-L186 HydrophobicContact CG2-CB 4.44Å; V152-L186 HydrophobicContact CG2-CD1 4.41Å; V152-H188 HydrophobicContact CG1-CB 3.82Å
153	F	97.8	Very high	95.3	Very high	16 Å²	16	57 Å²	57	7%	0.07	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	141.2	173.5	-63.8	-84.8	0	0	0	110.4	Y151 D163 M164 Y167 C185 L186 H188 L209	Y151-F153 HydrophobicContact CD1-CD1 4.34Å; Y151-F153 AromaticContact CD1-CD2 3.94Å; Y151-F153 HydrophobicContact CD1-CD2 3.94Å; Y151-F153 AromaticContact CD1-CE1 3.9Å; Y151-F153 HydrophobicContact CD1-CE1 3.9Å; Y151-F153 AromaticContact CD1-CE2 3.44Å; Y151-F153 HydrophobicContact CD1-CE2 3.44Å; Y151-F153 VanDerWaalsContact CD1-CE2 3.44Å; Y151-F153 HydrophobicContact CD1-CG 4.36Å; Y151-F153 AromaticContact CD1-CZ 3.42Å; Y151-F153 HydrophobicContact CD1-CZ 3.42Å; Y151-F153 VanDerWaalsContact CD1-CZ 3.42Å; Y151-F153 HydrophobicContact CE1-CD1 4.09Å; Y151-F153 HydrophobicContact CE1-CD2 4.5Å; Y151-F153 AromaticContact CE1-CE1 3.58Å; Y151-F153 HydrophobicContact CE1-CE1 3.58Å; Y151-F153 HydrophobicContact CE1-CE2 4.04Å; Y151-F153 AromaticContact CE1-CZ 3.55Å; Y151-F153 HydrophobicContact CE1-CZ 3.55Å; Y151-F153 HydrophobicContact CG-CE2 4.38Å; Y151-F153 HydrophobicContact CG-CZ 4.46Å; F153-D163 HydrophobicContact CD1-CB 4.33Å; F153-D163 HydrophobicContact CE1-CB 4.4Å; F153-M164 HydrophobicContact CD1-CE 4.39Å; F153-M164 HydrophobicContact CE1-CE 4.02Å; F153-M164 HydrophobicContact CE1-SD 3.98Å; F153-M164 HydrophobicContact CZ-SD 4.29Å; F153-Y167 HydrophobicContact CE1-CG 4.46Å; F153-Y167 HydrophobicContact CE2-CD2 4.39Å; F153-Y167 HydrophobicContact CE2-CG 4.47Å; F153-Y167 AromaticContact CZ-CD1 3.96Å; F153-Y167 HydrophobicContact CZ-CD1 3.96Å; F153-Y167 AromaticContact CZ-CD2 3.91Å; F153-Y167 HydrophobicContact CZ-CD2 3.91Å; F153-Y167 AromaticContact CZ-CG 3.61Å; F153-Y167 HydrophobicContact CZ-CG 3.61Å; F153-C185 HydrophobicContact CD2-CB 4.44Å; F153-C185 HydrophobicContact CE2-CB 4.11Å; F153-L186 PolarHBondContact N-O 3.22Å; F153-H188 WeakPolarHBondContact O-CB 3.49Å; F153-H188 PolarHBondContact O-N 2.87Å; F153-L209 HydrophobicContact CD2-CD1 4.17Å; F153-L209 HydrophobicContact CD2-CD2 4.29Å; F153-L209 HydrophobicContact CE1-CD2 4.16Å; F153-L209 HydrophobicContact CE2-CD1 3.97Å; F153-L209 HydrophobicContact CE2-CD2 3.43Å; F153-L209 VanDerWaalsContact CE2-CD2 3.43Å; F153-L209 HydrophobicContact CE2-CG 4.37Å; F153-L209 HydrophobicContact CZ-CD2 3.35Å
154	D	96.4	Very high	95.2	Very high	29 Å²	29	58 Å²	58	16%	0.155	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.6	171.8	-167.9	-21.1	0	0	0	109	E156 S157 K189	D154-E156 PolarHBondContact O-N 3.18Å; D154-E156 PolarHBondContact OD1-N 3.47Å; D154-S157 WeakPolarHBondContact O-CB 3.49Å; D154-S157 PolarHBondContact O-N 3.25Å; D154-S157 VanDerWaalsContact O-N 3.07Å; D154-K189 WeakPolarHBondContact OD1-CD 3.46Å; D154-K189 IonicContact OD1-NZ 3.59Å; D154-K189 WeakPolarHBondContact OD2-CE 3.49Å; D154-K189 IonicContact OD2-NZ 2.74Å; D154-K189 PolarHBondContact OD2-NZ 3.3Å
155	V	95.8	Very high	95.2	Very high	23 Å²	23	56.1 Å²	56.1	14%	0.139	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-25.7	-177.8	72.6	0	0	0	0	113.1	S157 V187 H188 K189 M190 V193 I201	V155-S157 VanDerWaalsContact C-N 3.33Å; V155-V187 HydrophobicContact CB-CG1 4.3Å; V155-V187 HydrophobicContact CG2-CG1 4.37Å; V155-H188 WeakPolarHBondContact CB-O 3.31Å; V155-H188 WeakPolarHBondContact CG1-O 3.25Å; V155-H188 PolarHBondContact N-O 2.86Å; V155-H188 VanDerWaalsContact N-O 3.13Å; V155-K189 HydrophobicContact CG1-CB 4.29Å; V155-K189 WeakPolarHBondContact CG1-O 3.4Å; V155-M190 HydrophobicContact CB-SD 3.96Å; V155-M190 HydrophobicContact CG1-SD 4.32Å; V155-M190 HydrophobicContact CG2-SD 3.64Å; V155-V193 HydrophobicContact CB-CG2 4.46Å; V155-V193 HydrophobicContact CG1-CG2 3.91Å; V155-V193 HydrophobicContact CG2-CG2 3.69Å; V155-I201 HydrophobicContact CG2-CG2 4.09Å
156	E	94.4	Very high	95.3	Very high	121 Å²	121	51.4 Å²	51.4	57%	0.565	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.3	4.3	175.7	-68.8	-162.8	143.5	0	0	113.7	D154 R158 L192	D154-E156 PolarHBondContact O-N 3.18Å; D154-E156 PolarHBondContact OD1-N 3.47Å; E156-R158 PolarHBondContact O-N 3.29Å; E156-L192 VanDerWaalsContact CD-CD1 3.43Å; E156-L192 HydrophobicContact CG-CB 4.23Å; E156-L192 HydrophobicContact CG-CD1 3.87Å; E156-L192 WeakPolarHBondContact OE2-CD1 3.49Å
157	S	93.7	Very high	95.3	Very high	17 Å²	17	51 Å²	51	12%	0.119	23%	0.232	C	C	.	.			trans	-62.2	126.8	-178	-168.8	0	0	0	0	111.8	K48 D154 V155 L160 D163	K48-S157 PolarHBondContact NZ-OG 3.4Å; D154-S157 WeakPolarHBondContact O-CB 3.49Å; D154-S157 PolarHBondContact O-N 3.25Å; D154-S157 VanDerWaalsContact O-N 3.07Å; V155-S157 VanDerWaalsContact C-N 3.33Å; S157-L160 WeakPolarHBondContact O-CG 3.24Å; S157-D163 WeakPolarHBondContact CB-OD2 3.42Å; S157-D163 PolarHBondContact OG-OD2 3.43Å
158	R	91.6	Very high	95.3	Very high	245 Å²	245	51.3 Å²	51.3	93%	0.925	23%	0.233	S	C	*	.	S	Bend	trans	-86.8	-10.4	177.3	-58.9	-177.3	-175.9	-177.8	0.2	113.4	E156	E156-R158 PolarHBondContact O-N 3.29Å
159	E	93.5	Very high	95.3	Very high	92 Å²	92	52.4 Å²	52.4	43%	0.43	24%	0.241	S	C	.	.			trans	-113.3	50.8	-176.3	-62.2	169.9	89.4	0	0	110.5	K48 E161 K162 D163	K48-E159 IonicContact NZ-OE2 2.67Å; K48-E159 PolarHBondContact NZ-OE2 3.28Å; E159-E161 VanDerWaalsContact C-N 3.29Å; E159-E161 PolarHBondContact O-N 2.85Å; E159-K162 HydrophobicContact CB-CB 4.16Å; E159-K162 WeakPolarHBondContact O-CB 3.25Å; E159-K162 PolarHBondContact O-N 3.45Å; E159-K162 VanDerWaalsContact O-N 3.07Å; E159-K162 WeakPolarHBondContact OE1-CD 3.5Å; E159-K162 IonicContact OE1-NZ 3.7Å; E159-D163 PolarHBondContact O-N 3.21Å
160	L	90.9	Very high	95.2	Very high	60 Å²	60	52.4 Å²	52.4	31%	0.314	24%	0.241	S	C	.	.	H	α-helix	trans	-55.6	-41.1	-173.8	-64.6	164.9	0	0	0	112.8	S157 K162 D163 M164	S157-L160 WeakPolarHBondContact O-CG 3.24Å; L160-K162 VanDerWaalsContact C-N 3.31Å; L160-K162 PolarHBondContact O-N 2.86Å; L160-D163 PolarHBondContact O-N 3.07Å; L160-M164 VanDerWaalsContact O-CG 3.28Å; L160-M164 WeakPolarHBondContact O-CG 3.22Å; L160-M164 PolarHBondContact O-N 2.74Å
161	E	92.8	Very high	95.1	Very high	177 Å²	177	53 Å²	53	83%	0.827	24%	0.244	S	C	*	.	H	α-helix	trans	-60.3	-40.5	178.1	-63.9	177.9	173.1	0	0	112.1	E159 M164 H165	E159-E161 VanDerWaalsContact C-N 3.29Å; E159-E161 PolarHBondContact O-N 2.85Å; E161-M164 PolarHBondContact O-N 3.03Å; E161-H165 WeakPolarHBondContact O-CB 3.28Å; E161-H165 PolarHBondContact O-N 3.26Å
162	K	93.8	Very high	94.9	Very high	60 Å²	60	58.4 Å²	58.4	26%	0.261	27%	0.27	S	S	.	.	H	α-helix	trans	-70.7	-39.4	177.2	-176.2	176.3	171.9	-177.3	0	111.7	D128 E159 L160 M164 H165 Y166	D128-K162 VanDerWaalsContact CG-NZ 3.29Å; D128-K162 WeakPolarHBondContact OD1-CE 3.45Å; D128-K162 IonicContact OD1-NZ 3.5Å; D128-K162 PolarHBondContact OD1-NZ 3.31Å; D128-K162 IonicContact OD2-NZ 2.68Å; D128-K162 PolarHBondContact OD2-NZ 2.84Å; E159-K162 HydrophobicContact CB-CB 4.16Å; E159-K162 WeakPolarHBondContact O-CB 3.25Å; E159-K162 PolarHBondContact O-N 3.45Å; E159-K162 VanDerWaalsContact O-N 3.07Å; E159-K162 WeakPolarHBondContact OE1-CD 3.5Å; E159-K162 IonicContact OE1-NZ 3.7Å; L160-K162 VanDerWaalsContact C-N 3.31Å; L160-K162 PolarHBondContact O-N 2.86Å; K162-M164 VanDerWaalsContact C-N 3.31Å; K162-M164 PolarHBondContact O-N 3.25Å; K162-H165 PolarHBondContact O-N 2.93Å; K162-Y166 HydrophobicContact CD-CE2 4.35Å; K162-Y166 HydrophobicContact CG-CD2 4.15Å; K162-Y166 HydrophobicContact CG-CE2 3.85Å; K162-Y166 WeakPolarHBondContact O-CD2 3.44Å; K162-Y166 PolarHBondContact O-N 3.13Å
163	D	94.2	Very high	94.8	Very high	5 Å²	5	58.3 Å²	58.3	3%	0.027	27%	0.269	C	S	.	.	H	α-helix	trans	-63	-39	174.9	-68.9	-24	0	0	0	111.8	K48 Y151 F153 S157 E159 L160 Y167	K48-D163 WeakPolarHBondContact CD-OD1 3.34Å; K48-D163 IonicContact NZ-OD1 3.5Å; Y151-D163 PolarHBondContact OH-O 2.63Å; F153-D163 HydrophobicContact CD1-CB 4.33Å; F153-D163 HydrophobicContact CE1-CB 4.4Å; S157-D163 WeakPolarHBondContact CB-OD2 3.42Å; S157-D163 PolarHBondContact OG-OD2 3.43Å; E159-D163 PolarHBondContact O-N 3.21Å; L160-D163 PolarHBondContact O-N 3.07Å; D163-Y167 WeakPolarHBondContact O-CB 3.39Å; D163-Y167 PolarHBondContact O-N 3.43Å
164	M	94.4	Very high	94.7	Very high	21 Å²	21	57.6 Å²	57.6	10%	0.103	27%	0.266	C	S	.	.	H	α-helix	trans	-70.1	-40.5	174.6	-66.5	-59.4	166.6	0	0	112.2	F153 L160 E161 K162 Y166 Y167 Q168 L209 L212	F153-M164 HydrophobicContact CD1-CE 4.39Å; F153-M164 HydrophobicContact CE1-CE 4.02Å; F153-M164 HydrophobicContact CE1-SD 3.98Å; F153-M164 HydrophobicContact CZ-SD 4.29Å; L160-M164 VanDerWaalsContact O-CG 3.28Å; L160-M164 WeakPolarHBondContact O-CG 3.22Å; L160-M164 PolarHBondContact O-N 2.74Å; E161-M164 PolarHBondContact O-N 3.03Å; K162-M164 VanDerWaalsContact C-N 3.31Å; K162-M164 PolarHBondContact O-N 3.25Å; M164-Y166 PolarHBondContact O-N 3Å; M164-Y167 WeakPolarHBondContact O-CB 3.38Å; M164-Y167 PolarHBondContact O-N 3.33Å; M164-Q168 WeakPolarHBondContact O-CG 3.47Å; M164-Q168 PolarHBondContact O-N 2.74Å; M164-L209 HydrophobicContact CE-CD2 3.89Å; M164-L209 HydrophobicContact CE-CG 4.42Å; M164-L209 HydrophobicContact SD-CD2 3.81Å; M164-L212 HydrophobicContact CB-CD1 4.29Å; M164-L212 HydrophobicContact CG-CD1 4.08Å; M164-L212 HydrophobicContact SD-CD1 3.68Å
165	H	94.7	Very high	94.7	Very high	114 Å²	114	59.8 Å²	59.8	53%	0.528	28%	0.277	S	S	.	.	H	α-helix	trans	-60	-46	174.7	179	-83.6	0	0	0	112.1	E161 K162 Y167 Q168 S169	E161-H165 WeakPolarHBondContact O-CB 3.28Å; E161-H165 PolarHBondContact O-N 3.26Å; K162-H165 PolarHBondContact O-N 2.93Å; H165-Y167 VanDerWaalsContact C-N 3.33Å; H165-Y167 PolarHBondContact O-N 3.24Å; H165-Q168 PolarHBondContact O-N 3.49Å; H165-S169 WeakPolarHBondContact O-CB 3.45Å; H165-S169 PolarHBondContact O-N 2.89Å; H165-S169 PolarHBondContact O-OG 2.94Å
166	Y	95.3	Very high	94.6	Very high	19 Å²	19	64.8 Å²	64.8	8%	0.075	30%	0.299	C	S	.	.	H	α-helix	trans	-65.4	-35.4	174.4	-74.4	-40.7	0	0	0	112.6	D128 M131 F135 Y151 K162 M164 S169 C170	D128-Y166 WeakPolarHBondContact CB-OH 3.42Å; D128-Y166 PolarHBondContact OD1-OH 2.89Å; M131-Y166 HydrophobicContact CB-CD1 4.3Å; M131-Y166 HydrophobicContact CB-CE1 4.04Å; M131-Y166 HydrophobicContact CE-CD1 4.38Å; M131-Y166 HydrophobicContact CE-CG 4.06Å; F135-Y166 AromaticContact CE2-CD1 3.83Å; F135-Y166 HydrophobicContact CE2-CD1 3.83Å; F135-Y166 HydrophobicContact CE2-CE1 4.45Å; Y151-Y166 WeakPolarHBondContact OH-CB 3.28Å; K162-Y166 HydrophobicContact CD-CE2 4.35Å; K162-Y166 HydrophobicContact CG-CD2 4.15Å; K162-Y166 HydrophobicContact CG-CE2 3.85Å; K162-Y166 WeakPolarHBondContact O-CD2 3.44Å; K162-Y166 PolarHBondContact O-N 3.13Å; M164-Y166 PolarHBondContact O-N 3Å; Y166-S169 PolarHBondContact O-N 2.76Å; Y166-C170 PolarHBondContact O-N 3.12Å
167	Y	97.3	Very high	94.6	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.6	-48.3	174.3	176.3	-121.2	0	0	0	111.9	Y151 F153 D163 M164 H165 S169 C170 L171 I183 C185 L209 S213	Y151-Y167 AromaticContact CD1-CD2 3.83Å; Y151-Y167 HydrophobicContact CD1-CD2 3.83Å; Y151-Y167 HydrophobicContact CD1-CG 4.44Å; Y151-Y167 AromaticContact CD2-CD2 3.81Å; Y151-Y167 HydrophobicContact CD2-CD2 3.81Å; Y151-Y167 HydrophobicContact CE1-CD2 4.2Å; Y151-Y167 HydrophobicContact CE1-CG 4.45Å; Y151-Y167 HydrophobicContact CE2-CD2 4.19Å; Y151-Y167 AromaticContact CG-CD2 3.59Å; Y151-Y167 HydrophobicContact CG-CD2 3.59Å; Y151-Y167 HydrophobicContact CG-CE2 4.17Å; Y151-Y167 PolarHBondContact OH-N 3.32Å; F153-Y167 HydrophobicContact CE1-CG 4.46Å; F153-Y167 HydrophobicContact CE2-CD2 4.39Å; F153-Y167 HydrophobicContact CE2-CG 4.47Å; F153-Y167 AromaticContact CZ-CD1 3.96Å; F153-Y167 HydrophobicContact CZ-CD1 3.96Å; F153-Y167 AromaticContact CZ-CD2 3.91Å; F153-Y167 HydrophobicContact CZ-CD2 3.91Å; F153-Y167 AromaticContact CZ-CG 3.61Å; F153-Y167 HydrophobicContact CZ-CG 3.61Å; D163-Y167 WeakPolarHBondContact O-CB 3.39Å; D163-Y167 PolarHBondContact O-N 3.43Å; M164-Y167 WeakPolarHBondContact O-CB 3.38Å; M164-Y167 PolarHBondContact O-N 3.33Å; H165-Y167 VanDerWaalsContact C-N 3.33Å; H165-Y167 PolarHBondContact O-N 3.24Å; Y167-S169 VanDerWaalsContact C-N 3.31Å; Y167-S169 PolarHBondContact O-N 3.23Å; Y167-C170 WeakPolarHBondContact O-CB 3.38Å; Y167-C170 PolarHBondContact O-N 2.83Å; Y167-C170 VanDerWaalsContact O-N 3.12Å; Y167-L171 HydrophobicContact CD1-CD1 4.04Å; Y167-L171 HydrophobicContact CD2-CG 4.43Å; Y167-L171 HydrophobicContact CE1-CD1 3.57Å; Y167-L171 HydrophobicContact CE1-CG 4.24Å; Y167-L171 HydrophobicContact CE2-CD1 4.28Å; Y167-L171 HydrophobicContact CE2-CD2 3.98Å; Y167-L171 HydrophobicContact CE2-CG 4.06Å; Y167-L171 WeakPolarHBondContact O-CG 3.47Å; Y167-L171 PolarHBondContact O-N 3.44Å; Y167-I183 HydrophobicContact CE2-CG2 4.49Å; Y167-C185 VanDerWaalsContact CZ-SG 3.55Å; Y167-C185 PolarHBondContact OH-SG 2.99Å; Y167-L209 HydrophobicContact CD1-CD2 4.02Å; Y167-L209 HydrophobicContact CE1-CD2 3.84Å; Y167-S213 PolarHBondContact OH-OG 2.68Å
168	Q	96.1	Very high	94.8	Very high	76 Å²	76	60.9 Å²	60.9	36%	0.355	28%	0.282	S	S	.	.	H	α-helix	trans	-59.8	-41.2	175.1	-69.9	178.9	-66.4	0	0	111.9	M164 H165 C170 L171 E172	M164-Q168 WeakPolarHBondContact O-CG 3.47Å; M164-Q168 PolarHBondContact O-N 2.74Å; H165-Q168 PolarHBondContact O-N 3.49Å; Q168-C170 VanDerWaalsContact C-N 3.31Å; Q168-C170 PolarHBondContact O-N 2.95Å; Q168-L171 WeakPolarHBondContact O-CB 3.33Å; Q168-L171 PolarHBondContact O-N 3.45Å; Q168-E172 PolarHBondContact O-N 3.44Å
169	S	95.3	Very high	94.9	Very high	23 Å²	23	53.1 Å²	53.1	16%	0.161	26%	0.263	C	S	.	.	H	α-helix	trans	-59.1	-39.7	174.4	-57.6	0	0	0	0	112.4	H165 Y166 Y167 A173	H165-S169 WeakPolarHBondContact O-CB 3.45Å; H165-S169 PolarHBondContact O-N 2.89Å; H165-S169 PolarHBondContact O-OG 2.94Å; Y166-S169 PolarHBondContact O-N 2.76Å; Y167-S169 VanDerWaalsContact C-N 3.31Å; Y167-S169 PolarHBondContact O-N 3.23Å; S169-A173 WeakPolarHBondContact O-CB 3.35Å; S169-A173 PolarHBondContact O-N 3.15Å
170	C	96.1	Very high	94.9	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-65	-42.2	171.5	-76.5	0	0	0	0	112.5	M46 F135 F143 L149 Y151 Y166 Y167 Q168 A173 I174	M46-C170 VanDerWaalsContact SD-SG 3.68Å; F135-C170 HydrophobicContact CE1-CB 4.36Å; F135-C170 VanDerWaalsContact CE1-SG 3.59Å; F135-C170 VanDerWaalsContact CZ-SG 3.54Å; F143-C170 HydrophobicContact CE1-CB 4.33Å; L149-C170 HydrophobicContact CD2-CB 4.25Å; Y151-C170 HydrophobicContact CD2-CB 4.46Å; Y151-C170 HydrophobicContact CE2-CB 4.38Å; Y166-C170 PolarHBondContact O-N 3.12Å; Y167-C170 WeakPolarHBondContact O-CB 3.38Å; Y167-C170 PolarHBondContact O-N 2.83Å; Y167-C170 VanDerWaalsContact O-N 3.12Å; Q168-C170 VanDerWaalsContact C-N 3.31Å; Q168-C170 PolarHBondContact O-N 2.95Å; C170-A173 PolarHBondContact O-N 3.06Å; C170-I174 WeakPolarHBondContact O-CB 3.41Å; C170-I174 WeakPolarHBondContact O-CG1 3.09Å; C170-I174 PolarHBondContact O-N 2.94Å
171	L	96.4	Very high	95.2	Very high	12 Å²	12	55 Å²	55	6%	0.063	27%	0.272	C	S	.	.	H	α-helix	trans	-63.6	-43.6	179.2	-67.6	176.5	0	0	0	112.2	Y167 Q168 A173 I174 L175 I183 L216	Y167-L171 HydrophobicContact CD1-CD1 4.04Å; Y167-L171 HydrophobicContact CD2-CG 4.43Å; Y167-L171 HydrophobicContact CE1-CD1 3.57Å; Y167-L171 HydrophobicContact CE1-CG 4.24Å; Y167-L171 HydrophobicContact CE2-CD1 4.28Å; Y167-L171 HydrophobicContact CE2-CD2 3.98Å; Y167-L171 HydrophobicContact CE2-CG 4.06Å; Y167-L171 WeakPolarHBondContact O-CG 3.47Å; Y167-L171 PolarHBondContact O-N 3.44Å; Q168-L171 WeakPolarHBondContact O-CB 3.33Å; Q168-L171 PolarHBondContact O-N 3.45Å; L171-A173 VanDerWaalsContact C-N 3.34Å; L171-A173 PolarHBondContact O-N 3.24Å; L171-I174 PolarHBondContact O-N 3Å; L171-L175 WeakPolarHBondContact O-CB 3.21Å; L171-L175 PolarHBondContact O-N 2.87Å; L171-I183 HydrophobicContact CD2-CD1 3.47Å; L171-I183 VanDerWaalsContact CD2-CD1 3.47Å; L171-I183 HydrophobicContact CD2-CG2 4.15Å; L171-L216 HydrophobicContact CD2-CD1 4.29Å
172	E	95	Very high	95.3	Very high	115 Å²	115	50.8 Å²	50.8	54%	0.537	25%	0.25	S	S	.	.	H	α-helix	trans	-61.6	-42.6	175.2	-71.6	-179.5	-171.2	0	0	111.9	Q168 L175 Q176	Q168-E172 PolarHBondContact O-N 3.44Å; E172-L175 PolarHBondContact O-N 3.21Å; E172-Q176 VanDerWaalsContact O-CG 3.28Å; E172-Q176 WeakPolarHBondContact O-CG 3.15Å; E172-Q176 PolarHBondContact O-N 2.9Å
173	A	95.6	Very high	95.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66.4	-38.4	177.6	0	0	0	0	0	112.2	R139 F143 S169 C170 L171 N177	R139-A173 HydrophobicContact CG-CB 4.37Å; F143-A173 HydrophobicContact CB-CB 4.19Å; F143-A173 HydrophobicContact CD1-CB 3.91Å; F143-A173 HydrophobicContact CD2-CB 3.49Å; F143-A173 VanDerWaalsContact CD2-CB 3.49Å; F143-A173 HydrophobicContact CE1-CB 4.14Å; F143-A173 HydrophobicContact CE2-CB 3.75Å; F143-A173 HydrophobicContact CG-CB 3.58Å; F143-A173 HydrophobicContact CZ-CB 4.07Å; S169-A173 WeakPolarHBondContact O-CB 3.35Å; S169-A173 PolarHBondContact O-N 3.15Å; C170-A173 PolarHBondContact O-N 3.06Å; L171-A173 VanDerWaalsContact C-N 3.34Å; L171-A173 PolarHBondContact O-N 3.24Å; A173-N177 WeakPolarHBondContact O-CB 3.37Å; A173-N177 PolarHBondContact O-N 3.39Å; A173-N177 PolarHBondContact O-ND2 3.23Å
174	I	96.4	Very high	95.7	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-65.4	-48.1	172.3	-74.4	-67.7	0	0	0	111.4	L44 F143 V146 L149 C170 L171 Q176 N177 S178 A181 I183 L216	L44-I174 HydrophobicContact CD1-CD1 4.43Å; F143-I174 HydrophobicContact CD1-CD1 3.83Å; F143-I174 HydrophobicContact CD1-CG1 3.93Å; F143-I174 HydrophobicContact CE1-CG1 4.46Å; V146-I174 HydrophobicContact CB-CD1 3.88Å; V146-I174 HydrophobicContact CG1-CD1 3.83Å; V146-I174 HydrophobicContact CG2-CD1 4.04Å; L149-I174 HydrophobicContact CD2-CG1 4Å; C170-I174 WeakPolarHBondContact O-CB 3.41Å; C170-I174 WeakPolarHBondContact O-CG1 3.09Å; C170-I174 PolarHBondContact O-N 2.94Å; L171-I174 PolarHBondContact O-N 3Å; I174-Q176 PolarHBondContact O-N 3.23Å; I174-Q176 VanDerWaalsContact O-N 3.17Å; I174-N177 PolarHBondContact O-N 3.24Å; I174-N177 VanDerWaalsContact O-N 3.12Å; I174-S178 WeakPolarHBondContact CG2-O 3.37Å; I174-S178 CarbonylContact O-C 3.13Å; I174-S178 WeakPolarHBondContact O-CA 3.38Å; I174-S178 PolarHBondContact O-N 3.35Å; I174-A181 HydrophobicContact CD1-CB 4.39Å; I174-A181 HydrophobicContact CG2-CB 3.93Å; I174-I183 HydrophobicContact CG2-CD1 4.49Å; I174-L216 HydrophobicContact CG2-CD1 4.38Å
175	L	95.4	Very high	95.9	Very high	75 Å²	75	47 Å²	47	39%	0.393	23%	0.233	S	C	.	.	H	α-helix	trans	-57.7	-34.5	-178.6	-172.2	60.7	0	0	0	112.1	L171 E172 P215 L216	L171-L175 WeakPolarHBondContact O-CB 3.21Å; L171-L175 PolarHBondContact O-N 2.87Å; E172-L175 PolarHBondContact O-N 3.21Å; L175-P215 HydrophobicContact CD1-CG 4.27Å; L175-P215 HydrophobicContact CD2-CG 4.04Å; L175-L216 HydrophobicContact CB-CD1 4.11Å; L175-L216 HydrophobicContact CD1-CD1 4.19Å; L175-L216 HydrophobicContact CD1-CD2 3.98Å; L175-L216 HydrophobicContact CD1-CG 4.11Å
176	Q	94	Very high	96.1	Very high	128 Å²	128	41.5 Å²	41.5	60%	0.598	21%	0.208	S	C	*	.	H	α-helix	trans	-79.8	-32.8	178.4	-69.5	168.4	-2.7	0	0	113.9	E172 I174	E172-Q176 VanDerWaalsContact O-CG 3.28Å; E172-Q176 WeakPolarHBondContact O-CG 3.15Å; E172-Q176 PolarHBondContact O-N 2.9Å; I174-Q176 PolarHBondContact O-N 3.23Å; I174-Q176 VanDerWaalsContact O-N 3.17Å
177	N	94.8	Very high	96.2	Very high	45 Å²	45	40.8 Å²	40.8	24%	0.241	21%	0.206	C	C	.	.	H	α-helix	trans	-114.3	-21	-168	-71.6	-81.9	0	0	0	115.4	F143 A173 I174	F143-N177 HydrophobicContact CB-CB 4.05Å; F143-N177 VanDerWaalsContact O-CB 3.26Å; F143-N177 WeakPolarHBondContact O-CB 3.41Å; A173-N177 WeakPolarHBondContact O-CB 3.37Å; A173-N177 PolarHBondContact O-N 3.39Å; A173-N177 PolarHBondContact O-ND2 3.23Å; I174-N177 PolarHBondContact O-N 3.24Å; I174-N177 VanDerWaalsContact O-N 3.12Å
178	S	96.4	Very high	96.3	Very high	12 Å²	12	41 Å²	41	8%	0.084	21%	0.207	C	C	.	.			trans	-157.4	64.9	-177.5	-67.3	0	0	0	0	110.2	F143 N145 V146 I174 E180 A181	F143-S178 PolarHBondContact O-OG 2.72Å; N145-S178 PolarHBondContact N-OG 2.84Å; V146-S178 PolarHBondContact N-OG 3.06Å; I174-S178 WeakPolarHBondContact CG2-O 3.37Å; I174-S178 CarbonylContact O-C 3.13Å; I174-S178 WeakPolarHBondContact O-CA 3.38Å; I174-S178 PolarHBondContact O-N 3.35Å; S178-E180 PolarHBondContact O-N 3.3Å; S178-E180 VanDerWaalsContact O-N 3.14Å; S178-A181 WeakPolarHBondContact O-CB 3.26Å; S178-A181 PolarHBondContact O-N 2.91Å
179	P	94.1	Very high	96.3	Very high	81 Å²	81	39.9 Å²	39.9	53%	0.526	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.9	-174.5	25.9	-35.7	0	0	0	114.3	A181	P179-A181 VanDerWaalsContact C-N 3.32Å
180	E	94.4	Very high	96.4	Very high	184 Å²	184	39 Å²	39	86%	0.86	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-1.4	175.3	-60.4	-177.4	176	0	0	113.4	S178 K182	S178-E180 PolarHBondContact O-N 3.3Å; S178-E180 VanDerWaalsContact O-N 3.14Å; E180-K182 PolarHBondContact O-N 2.62Å
181	A	96.3	Very high	96.4	Very high	8 Å²	8	41.2 Å²	41.2	7%	0.066	21%	0.206	C	C	.	.			trans	-66	131.4	-179	0	0	0	0	0	111.6	V146 I174 S178 P179	V146-A181 HydrophobicContact CB-CB 4.35Å; V146-A181 HydrophobicContact CG1-CB 4.14Å; V146-A181 WeakPolarHBondContact O-CB 3.48Å; I174-A181 HydrophobicContact CD1-CB 4.39Å; I174-A181 HydrophobicContact CG2-CB 3.93Å; S178-A181 WeakPolarHBondContact O-CB 3.26Å; S178-A181 PolarHBondContact O-N 2.91Å; P179-A181 VanDerWaalsContact C-N 3.32Å
182	K	96.5	Very high	96.4	Very high	88 Å²	88	44.6 Å²	44.6	38%	0.383	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	137.3	178.2	-48.8	-173	-172.8	177	0	110.5	E147 V148 L149 E180 F184 Q240	E147-K182 PolarHBondContact O-N 2.83Å; V148-K182 CarbonylContact C-O 3.6Å; V148-K182 VanDerWaalsContact CA-O 3.31Å; V148-K182 WeakPolarHBondContact CA-O 3.47Å; V148-K182 HydrophobicContact CG2-CB 4.28Å; L149-K182 PolarHBondContact N-O 2.93Å; E180-K182 PolarHBondContact O-N 2.62Å; K182-F184 HydrophobicContact CB-CE2 4.06Å; K182-Q240 HydrophobicContact CD-CB 4.22Å; K182-Q240 VanDerWaalsContact CD-OE1 3.25Å; K182-Q240 PolarHBondContact NZ-O 2.9Å
183	I	97.9	Very high	96.4	Very high	5 Å²	5	40 Å²	40	3%	0.026	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	123.9	-168.9	-48.7	-174.2	0	0	0	110.3	L149 Y167 L171 I174 L216 C218 S219	L149-I183 HydrophobicContact CD2-CG2 4.46Å; Y167-I183 HydrophobicContact CE2-CG2 4.49Å; L171-I183 HydrophobicContact CD2-CD1 3.47Å; L171-I183 VanDerWaalsContact CD2-CD1 3.47Å; L171-I183 HydrophobicContact CD2-CG2 4.15Å; I174-I183 HydrophobicContact CG2-CD1 4.49Å; I183-L216 HydrophobicContact CD1-CB 3.64Å; I183-L216 HydrophobicContact CD1-CD1 3.72Å; I183-L216 HydrophobicContact CD1-CD2 4.49Å; I183-L216 HydrophobicContact CD1-CG 4.13Å; I183-C218 HydrophobicContact CB-CB 4.3Å; I183-C218 HydrophobicContact CG2-CB 4.17Å; I183-C218 WeakPolarHBondContact O-CA 3.39Å; I183-S219 PolarHBondContact O-N 2.87Å
184	F	98.3	Very high	96.4	Very high	1 Å²	1	46.2 Å²	46.2	0%	0.004	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	131.5	176.8	-62.8	-87.2	0	0	0	110.4	V148 L149 I150 Y151 K182 S219 F221 I237 Q240	V148-F184 HydrophobicContact CG1-CD2 3.68Å; V148-F184 HydrophobicContact CG1-CE2 3.92Å; V148-F184 HydrophobicContact CG2-CE2 4.18Å; L149-F184 PolarHBondContact O-N 3.25Å; I150-F184 CarbonylContact C-O 3.56Å; I150-F184 WeakPolarHBondContact CA-O 3.42Å; Y151-F184 PolarHBondContact N-O 2.91Å; K182-F184 HydrophobicContact CB-CE2 4.06Å; F184-S219 VanDerWaalsContact CA-O 3.3Å; F184-S219 WeakPolarHBondContact CA-O 3.47Å; F184-F221 HydrophobicContact CD1-CD2 4.36Å; F184-F221 AromaticContact CD1-CE2 3.72Å; F184-F221 HydrophobicContact CD1-CE2 3.72Å; F184-F221 HydrophobicContact CE1-CE2 4.08Å; F184-I237 HydrophobicContact CB-CD1 4.2Å; F184-I237 HydrophobicContact CB-CG1 4.22Å; F184-I237 HydrophobicContact CD1-CD1 4.43Å; F184-I237 HydrophobicContact CD1-CG1 3.66Å; F184-I237 HydrophobicContact CD2-CG1 3.85Å; F184-I237 HydrophobicContact CD2-CG2 4.36Å; F184-I237 HydrophobicContact CE1-CG1 3.83Å; F184-I237 HydrophobicContact CE2-CB 4.39Å; F184-I237 HydrophobicContact CE2-CG1 4.02Å; F184-I237 HydrophobicContact CE2-CG2 4.21Å; F184-I237 HydrophobicContact CG-CD1 4.17Å; F184-I237 HydrophobicContact CG-CG1 3.64Å; F184-I237 HydrophobicContact CZ-CB 4.4Å; F184-I237 HydrophobicContact CZ-CG1 3.99Å; F184-Q240 HydrophobicContact CZ-CB 4.48Å; F184-Q240 HydrophobicContact CZ-CG 4.42Å
185	C	98.2	Very high	96.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	116.3	177	-63.1	0	0	0	0	109.3	Y151 F153 Y167 L209 S219 C220 F221	Y151-C185 CarbonylContact O-C 3.56Å; Y151-C185 WeakPolarHBondContact O-CA 3.02Å; F153-C185 HydrophobicContact CD2-CB 4.44Å; F153-C185 HydrophobicContact CE2-CB 4.11Å; Y167-C185 VanDerWaalsContact CZ-SG 3.55Å; Y167-C185 PolarHBondContact OH-SG 2.99Å; C185-L209 HydrophobicContact CB-CD1 3.87Å; C185-S219 PolarHBondContact N-O 3.47Å; C185-C220 CarbonylContact O-C 3.57Å; C185-C220 WeakPolarHBondContact O-CA 3.31Å; C185-F221 PolarHBondContact O-N 3.06Å
186	L	98.4	Very high	96.3	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	110.1	177.7	-54.9	-172.7	0	0	0	108.7	M56 I150 Y151 V152 F153 H188 F221 T223 A233 I237	M56-L186 HydrophobicContact CE-CD1 4.08Å; M56-L186 HydrophobicContact SD-CD1 3.9Å; I150-L186 HydrophobicContact CG2-CD1 3.56Å; I150-L186 HydrophobicContact CG2-CG 3.78Å; Y151-L186 PolarHBondContact O-N 2.91Å; V152-L186 HydrophobicContact CG2-CB 4.44Å; V152-L186 HydrophobicContact CG2-CD1 4.41Å; F153-L186 PolarHBondContact N-O 3.22Å; L186-H188 PolarHBondContact O-N 2.74Å; L186-F221 CarbonylContact C-O 3.59Å; L186-F221 WeakPolarHBondContact CA-O 3.41Å; L186-F221 HydrophobicContact CD2-CB 3.83Å; L186-F221 HydrophobicContact CD2-CD2 3.95Å; L186-F221 HydrophobicContact CD2-CG 4.37Å; L186-T223 HydrophobicContact CD2-CG2 4.16Å; L186-A233 HydrophobicContact CD2-CB 3.95Å; L186-I237 HydrophobicContact CD2-CD1 4.43Å
187	V	98.1	Very high	96.4	Very high	4 Å²	4	54 Å²	54	2%	0.024	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	102.4	166.3	-174.1	0	0	0	0	106.2	V155 M190 F202 R205 L209 F221 R222 T223	V155-V187 HydrophobicContact CB-CG1 4.3Å; V155-V187 HydrophobicContact CG2-CG1 4.37Å; V187-M190 HydrophobicContact CG1-CG 4.37Å; V187-M190 HydrophobicContact CG1-SD 3.71Å; V187-M190 WeakPolarHBondContact O-CG 3.5Å; V187-F202 HydrophobicContact CB-CD2 4.36Å; V187-F202 HydrophobicContact CG2-CD2 4.25Å; V187-F202 HydrophobicContact CG2-CE2 4.36Å; V187-R205 HydrophobicContact CG2-CB 4.13Å; V187-L209 HydrophobicContact CG2-CD1 4.38Å; V187-F221 PolarHBondContact N-O 2.84Å; V187-R222 CarbonylContact O-C 3.49Å; V187-R222 WeakPolarHBondContact O-CA 3.44Å; V187-T223 PolarHBondContact O-N 3.35Å; V187-T223 PolarHBondContact O-OG1 2.83Å
188	H	98.1	Very high	96.4	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.019	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	164.3	-167.7	-161.8	61.9	0	0	0	112.7	S51 M56 V152 F153 V155 L186 M190 T223	S51-H188 PolarHBondContact O-CD2 3.39Å; M56-H188 PolarHBondContact SD-CE1 2.89Å; M56-H188 PolarHBondContact SD-ND1 3.16Å; M56-H188 VanDerWaalsContact SD-ND1 3.44Å; V152-H188 HydrophobicContact CG1-CB 3.82Å; F153-H188 WeakPolarHBondContact O-CB 3.49Å; F153-H188 PolarHBondContact O-N 2.87Å; V155-H188 WeakPolarHBondContact CB-O 3.31Å; V155-H188 WeakPolarHBondContact CG1-O 3.25Å; V155-H188 PolarHBondContact N-O 2.86Å; V155-H188 VanDerWaalsContact N-O 3.13Å; L186-H188 PolarHBondContact O-N 2.74Å; H188-M190 VanDerWaalsContact C-N 3.32Å; H188-T223 CarbonylContact C-O 3.56Å; H188-T223 WeakPolarHBondContact CA-O 3.41Å; H188-T223 PolarHBondContact ND1-O 2.92Å; H188-T223 PolarHBondContact ND1-OG1 2.88Å
189	K	97.3	Very high	96.4	Very high	53 Å²	53	58.2 Å²	58.2	23%	0.23	29%	0.288	C	S	.	.			trans	62.8	31.3	-174.7	-47.8	-172.7	-168.4	164.3	0	114.6	G50 D154 V155 D191 L192 T223	G50-K189 VanDerWaalsContact O-CE 3.24Å; G50-K189 WeakPolarHBondContact O-CE 3.47Å; G50-K189 PolarHBondContact O-NZ 2.93Å; D154-K189 WeakPolarHBondContact OD1-CD 3.46Å; D154-K189 IonicContact OD1-NZ 3.59Å; D154-K189 WeakPolarHBondContact OD2-CE 3.49Å; D154-K189 IonicContact OD2-NZ 2.74Å; D154-K189 PolarHBondContact OD2-NZ 3.3Å; V155-K189 HydrophobicContact CG1-CB 4.29Å; V155-K189 WeakPolarHBondContact CG1-O 3.4Å; K189-D191 VanDerWaalsContact CA-OD1 3.26Å; K189-D191 WeakPolarHBondContact CA-OD1 3.38Å; K189-D191 PolarHBondContact O-N 2.87Å; K189-L192 HydrophobicContact CB-CD1 3.84Å; K189-L192 HydrophobicContact CB-CG 4.25Å; K189-L192 HydrophobicContact CD-CD1 4.03Å; K189-L192 WeakPolarHBondContact O-CB 3.3Å; K189-L192 PolarHBondContact O-N 2.9Å; K189-T223 PolarHBondContact N-O 3.47Å; K189-T223 VanDerWaalsContact N-O 3.1Å
190	M	97	Very high	96.5	Very high	5 Å²	5	60.1 Å²	60.1	3%	0.025	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-63.7	-10.7	180	-69.9	-66.9	-53.5	0	0	113.9	V155 V187 H188 L192 V193 R198 R222 T223	V155-M190 HydrophobicContact CB-SD 3.96Å; V155-M190 HydrophobicContact CG1-SD 4.32Å; V155-M190 HydrophobicContact CG2-SD 3.64Å; V187-M190 HydrophobicContact CG1-CG 4.37Å; V187-M190 HydrophobicContact CG1-SD 3.71Å; V187-M190 WeakPolarHBondContact O-CG 3.5Å; H188-M190 VanDerWaalsContact C-N 3.32Å; M190-L192 PolarHBondContact O-N 3.05Å; M190-V193 HydrophobicContact CE-CB 4.23Å; M190-V193 HydrophobicContact CE-CG1 4.37Å; M190-V193 HydrophobicContact CE-CG2 4.23Å; M190-V193 PolarHBondContact O-N 3.25Å; M190-V193 HydrophobicContact SD-CG2 4.37Å; M190-R198 HydrophobicContact CE-CB 3.92Å; M190-R198 HydrophobicContact CE-CG 3.99Å; M190-R198 PolarHBondContact O-NE 2.92Å; M190-R222 HydrophobicContact CG-CB 3.9Å; M190-T223 PolarHBondContact N-O 3.02Å
191	D	96.1	Very high	96.5	Very high	45 Å²	45	53.3 Å²	53.3	24%	0.241	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-58.6	-29.7	166.5	48.1	-69.8	0	0	0	113.9	K189 V193 R198 S224 W226	K189-D191 VanDerWaalsContact CA-OD1 3.26Å; K189-D191 WeakPolarHBondContact CA-OD1 3.38Å; K189-D191 PolarHBondContact O-N 2.87Å; D191-V193 VanDerWaalsContact C-N 3.27Å; D191-V193 PolarHBondContact O-N 2.95Å; D191-R198 PolarHBondContact O-NH2 3.17Å; D191-S224 WeakPolarHBondContact CB-OG 3.47Å; D191-S224 VanDerWaalsContact OD1-CB 3.31Å; D191-S224 WeakPolarHBondContact OD1-CB 3.48Å; D191-S224 PolarHBondContact OD1-OG 3.49Å; D191-W226 VanDerWaalsContact CG-CD1 3.45Å; D191-W226 PolarHBondContact OD2-NE1 2.96Å
192	L	95.9	Very high	96.6	Very high	84 Å²	84	54.1 Å²	54.1	44%	0.44	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-77.1	-14.8	179.9	-54.8	177.7	0	0	0	112.6	E156 K189 M190	E156-L192 VanDerWaalsContact CD-CD1 3.43Å; E156-L192 HydrophobicContact CG-CB 4.23Å; E156-L192 HydrophobicContact CG-CD1 3.87Å; E156-L192 WeakPolarHBondContact OE2-CD1 3.49Å; K189-L192 HydrophobicContact CB-CD1 3.84Å; K189-L192 HydrophobicContact CB-CG 4.25Å; K189-L192 HydrophobicContact CD-CD1 4.03Å; K189-L192 WeakPolarHBondContact O-CB 3.3Å; K189-L192 PolarHBondContact O-N 2.9Å; M190-L192 PolarHBondContact O-N 3.05Å
193	V	96.1	Very high	96.6	Very high	19 Å²	19	56.3 Å²	56.3	12%	0.115	27%	0.274	C	S	.	.	S	Bend	trans	-91	139.8	174.9	178	0	0	0	0	110.1	V155 M190 D191 Q197 R198 I201	V155-V193 HydrophobicContact CB-CG2 4.46Å; V155-V193 HydrophobicContact CG1-CG2 3.91Å; V155-V193 HydrophobicContact CG2-CG2 3.69Å; M190-V193 HydrophobicContact CE-CB 4.23Å; M190-V193 HydrophobicContact CE-CG1 4.37Å; M190-V193 HydrophobicContact CE-CG2 4.23Å; M190-V193 PolarHBondContact O-N 3.25Å; M190-V193 HydrophobicContact SD-CG2 4.37Å; D191-V193 VanDerWaalsContact C-N 3.27Å; D191-V193 PolarHBondContact O-N 2.95Å; V193-Q197 HydrophobicContact CG1-CB 3.97Å; V193-R198 HydrophobicContact CB-CG 4.05Å; V193-R198 HydrophobicContact CG1-CG 3.85Å; V193-R198 PolarHBondContact O-NE 2.8Å; V193-R198 PolarHBondContact O-NH2 2.56Å; V193-I201 HydrophobicContact CG1-CD1 3.81Å; V193-I201 HydrophobicContact CG2-CD1 4.49Å
194	Q	95.3	Very high	96.5	Very high	130 Å²	130	61.2 Å²	61.2	61%	0.607	30%	0.296	S	S	*	.			trans	-63.7	139	175.1	-59.4	-174.3	11.5	0	0	110.8	D196 Q197 R198	Q194-D196 VanDerWaalsContact C-N 3.3Å; Q194-D196 VanDerWaalsContact CB-OD1 3.24Å; Q194-D196 WeakPolarHBondContact CB-OD1 3.35Å; Q194-D196 PolarHBondContact O-N 2.86Å; Q194-Q197 PolarHBondContact O-N 3.2Å; Q194-R198 WeakPolarHBondContact O-CG 3.39Å; Q194-R198 PolarHBondContact O-N 2.84Å
195	E	93.9	Very high	96.4	Very high	156 Å²	156	63.6 Å²	63.6	73%	0.729	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-57.7	-39.7	-165.6	-170.3	173.1	173.3	0	0	113.7	Q197 R198	E195-Q197 VanDerWaalsContact C-N 3.28Å; E195-Q197 PolarHBondContact O-N 3.43Å; E195-R198 PolarHBondContact O-N 3.38Å
196	D	95.4	Very high	96.3	Very high	121 Å²	121	65.5 Å²	65.5	65%	0.647	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-62.9	-28.7	175.2	63.9	-41.9	0	0	0	113.6	Q194	Q194-D196 VanDerWaalsContact C-N 3.3Å; Q194-D196 VanDerWaalsContact CB-OD1 3.24Å; Q194-D196 WeakPolarHBondContact CB-OD1 3.35Å; Q194-D196 PolarHBondContact O-N 2.86Å
197	Q	95.3	Very high	96.2	Very high	90 Å²	90	72 Å²	72	42%	0.421	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-91.9	-15.3	179.2	-60.5	-171.9	-14.6	0	0	113.6	V193 Q194 E195 D199 L200 I201	V193-Q197 HydrophobicContact CG1-CB 3.97Å; Q194-Q197 PolarHBondContact O-N 3.2Å; E195-Q197 VanDerWaalsContact C-N 3.28Å; E195-Q197 PolarHBondContact O-N 3.43Å; Q197-D199 VanDerWaalsContact C-N 3.33Å; Q197-D199 PolarHBondContact O-N 3.1Å; Q197-L200 PolarHBondContact O-N 3.03Å; Q197-I201 HydrophobicContact CB-CD1 4.21Å; Q197-I201 PolarHBondContact O-N 3.06Å
198	R	95.4	Very high	96.1	Very high	60 Å²	60	73.6 Å²	73.6	23%	0.226	35%	0.353	C	S	.	.	H	α-helix	trans	-61.1	-36.4	-174.9	-69.4	-179.6	-175.1	164.7	0.7	113.7	M190 D191 V193 Q194 E195 F202 R222	M190-R198 HydrophobicContact CE-CB 3.92Å; M190-R198 HydrophobicContact CE-CG 3.99Å; M190-R198 PolarHBondContact O-NE 2.92Å; D191-R198 PolarHBondContact O-NH2 3.17Å; V193-R198 HydrophobicContact CB-CG 4.05Å; V193-R198 HydrophobicContact CG1-CG 3.85Å; V193-R198 PolarHBondContact O-NE 2.8Å; V193-R198 PolarHBondContact O-NH2 2.56Å; Q194-R198 WeakPolarHBondContact O-CG 3.39Å; Q194-R198 PolarHBondContact O-N 2.84Å; E195-R198 PolarHBondContact O-N 3.38Å; R198-F202 WeakPolarHBondContact O-CB 3.48Å; R198-F202 PolarHBondContact O-N 2.69Å; R198-R222 PolarHBondContact O-NH1 3.34Å
199	D	95.6	Very high	96	Very high	85 Å²	85	73.5 Å²	73.5	46%	0.455	35%	0.352	S	S	.	.	H	α-helix	trans	-71.1	-40.9	177.8	-82.3	-10.3	0	0	0	111.9	Q197 K203 R222	Q197-D199 VanDerWaalsContact C-N 3.33Å; Q197-D199 PolarHBondContact O-N 3.1Å; D199-K203 WeakPolarHBondContact O-CG 3.45Å; D199-K203 PolarHBondContact O-N 3.39Å; D199-K203 VanDerWaalsContact O-N 3.13Å; D199-R222 IonicContact OD1-CZ 2.79Å; D199-R222 IonicContact OD1-NH1 3.84Å; D199-R222 PolarHBondContact OD1-NH1 2.99Å; D199-R222 IonicContact OD1-NH2 3.15Å; D199-R222 PolarHBondContact OD1-NH2 3.35Å
200	L	96.6	Very high	95.9	Very high	121 Å²	121	76.6 Å²	76.6	63%	0.634	36%	0.363	S	S	*	.	H	α-helix	trans	-67.2	-54.8	-178.2	-179.6	63.1	0	0	0	110.9	Q197 F202 K203 E204	Q197-L200 PolarHBondContact O-N 3.03Å; L200-F202 VanDerWaalsContact C-N 3.29Å; L200-F202 PolarHBondContact O-N 2.79Å; L200-K203 PolarHBondContact O-N 2.67Å; L200-E204 PolarHBondContact O-N 2.82Å; L200-E204 VanDerWaalsContact O-N 3.07Å
201	I	95.9	Very high	95.8	Very high	40 Å²	40	83.1 Å²	83.1	21%	0.205	39%	0.387	C	S	.	.	H	α-helix	trans	-62	-38.8	-179.3	-67.6	173.5	0	0	0	110.7	V155 V193 Q197 R205	V155-I201 HydrophobicContact CG2-CG2 4.09Å; V193-I201 HydrophobicContact CG1-CD1 3.81Å; V193-I201 HydrophobicContact CG2-CD1 4.49Å; Q197-I201 HydrophobicContact CB-CD1 4.21Å; Q197-I201 PolarHBondContact O-N 3.06Å; I201-R205 HydrophobicContact CG2-CG 4.44Å; I201-R205 WeakPolarHBondContact O-CB 3.48Å; I201-R205 VanDerWaalsContact O-CG 3.26Å; I201-R205 WeakPolarHBondContact O-CG 3.31Å; I201-R205 PolarHBondContact O-N 2.9Å; I201-R205 VanDerWaalsContact O-N 3.09Å
202	F	97.6	Very high	95.7	Very high	25 Å²	25	83.1 Å²	83.1	11%	0.11	39%	0.387	C	S	.	.	H	α-helix	trans	-64.2	-44.4	177.1	176.5	-106.5	0	0	0	112.3	V187 R198 L200 R205 E206 C220 F221 R222	V187-F202 HydrophobicContact CB-CD2 4.36Å; V187-F202 HydrophobicContact CG2-CD2 4.25Å; V187-F202 HydrophobicContact CG2-CE2 4.36Å; R198-F202 WeakPolarHBondContact O-CB 3.48Å; R198-F202 PolarHBondContact O-N 2.69Å; L200-F202 VanDerWaalsContact C-N 3.29Å; L200-F202 PolarHBondContact O-N 2.79Å; F202-R205 PolarHBondContact O-N 3.24Å; F202-E206 HydrophobicContact CE1-CB 4.47Å; F202-E206 HydrophobicContact CZ-CB 4.36Å; F202-E206 VanDerWaalsContact O-CB 3.26Å; F202-E206 WeakPolarHBondContact O-CB 3.41Å; F202-E206 PolarHBondContact O-N 3.2Å; F202-C220 HydrophobicContact CE2-CB 4.07Å; F202-C220 HydrophobicContact CZ-CB 3.92Å; F202-F221 VanDerWaalsContact CE2-C 3.43Å; F202-R222 HydrophobicContact CD2-CB 3.68Å; F202-R222 HydrophobicContact CD2-CG 4.29Å; F202-R222 HydrophobicContact CE2-CB 4.12Å; F202-R222 HydrophobicContact CG-CB 4.08Å; F202-R222 HydrophobicContact CG-CG 4.31Å
203	K	97	Very high	95.6	Very high	135 Å²	135	79.2 Å²	79.2	59%	0.587	37%	0.367	S	S	*	.	H	α-helix	trans	-64	-42.5	179.1	-77.2	175.9	178.9	177.3	0	112.7	D199 L200 E206 E207	D199-K203 WeakPolarHBondContact O-CG 3.45Å; D199-K203 PolarHBondContact O-N 3.39Å; D199-K203 VanDerWaalsContact O-N 3.13Å; L200-K203 PolarHBondContact O-N 2.67Å; K203-E206 PolarHBondContact O-N 3.29Å; K203-E207 PolarHBondContact O-N 3.04Å
204	E	96	Very high	95.5	Very high	108 Å²	108	87.6 Å²	87.6	51%	0.505	40%	0.396	S	S	.	.	H	α-helix	trans	-59.1	-48.8	175.6	-174	-176.5	171	0	0	111.1	L200 E206 E207 D208	L200-E204 PolarHBondContact O-N 2.82Å; L200-E204 VanDerWaalsContact O-N 3.07Å; E204-E206 PolarHBondContact O-N 3.42Å; E204-E207 PolarHBondContact O-N 2.88Å; E204-D208 PolarHBondContact O-N 3.17Å
205	R	95.3	Very high	95.4	Very high	50 Å²	50	86.5 Å²	86.5	19%	0.189	40%	0.4	C	S	.	.	H	α-helix	trans	-64	-40	176	-66.6	-62.9	-178.1	-138.4	-5.2	112.9	V187 I201 F202 L209	V187-R205 HydrophobicContact CG2-CB 4.13Å; I201-R205 HydrophobicContact CG2-CG 4.44Å; I201-R205 WeakPolarHBondContact O-CB 3.48Å; I201-R205 VanDerWaalsContact O-CG 3.26Å; I201-R205 WeakPolarHBondContact O-CG 3.31Å; I201-R205 PolarHBondContact O-N 2.9Å; I201-R205 VanDerWaalsContact O-N 3.09Å; F202-R205 PolarHBondContact O-N 3.24Å; R205-L209 VanDerWaalsContact O-CB 3.28Å; R205-L209 WeakPolarHBondContact O-CB 3.36Å; R205-L209 WeakPolarHBondContact O-CD1 3.3Å; R205-L209 WeakPolarHBondContact O-CG 3.43Å; R205-L209 PolarHBondContact O-N 2.84Å
206	E	96.8	Very high	95.4	Very high	41 Å²	41	80.3 Å²	80.3	19%	0.192	37%	0.372	C	S	.	.	H	α-helix	trans	-63.2	-40.8	177.6	176.1	177.9	-157.7	0	0	111.8	F202 K203 E204 R210 C220	F202-E206 HydrophobicContact CE1-CB 4.47Å; F202-E206 HydrophobicContact CZ-CB 4.36Å; F202-E206 VanDerWaalsContact O-CB 3.26Å; F202-E206 WeakPolarHBondContact O-CB 3.41Å; F202-E206 PolarHBondContact O-N 3.2Å; K203-E206 PolarHBondContact O-N 3.29Å; E204-E206 PolarHBondContact O-N 3.42Å; E206-R210 WeakPolarHBondContact O-CB 3.35Å; E206-R210 PolarHBondContact O-N 3.14Å; E206-R210 IonicContact OE1-CZ 3.24Å; E206-R210 IonicContact OE1-NH1 2.66Å; E206-R210 IonicContact OE1-NH2 3.13Å; E206-R210 PolarHBondContact OE1-NH2 3.11Å; E206-C220 HydrophobicContact CB-CB 4.16Å; E206-C220 HydrophobicContact CG-CB 3.88Å
207	E	96.3	Very high	95.3	Very high	137 Å²	137	83.1 Å²	83.1	64%	0.64	38%	0.381	S	S	*	.	H	α-helix	trans	-66.9	-47.7	176.6	-174.7	171.1	-178.9	0	0	111.9	K203 E204 L209 R210 R211	K203-E207 PolarHBondContact O-N 3.04Å; E204-E207 PolarHBondContact O-N 2.88Å; E207-L209 PolarHBondContact O-N 2.51Å; E207-R210 PolarHBondContact O-N 3.05Å; E207-R211 WeakPolarHBondContact O-CB 3.46Å; E207-R211 PolarHBondContact O-N 3.1Å
208	D	94.8	Very high	95.3	Very high	37 Å²	37	79.4 Å²	79.4	20%	0.198	37%	0.365	C	S	.	.	H	α-helix	trans	-57.5	-48.7	175.5	-86.8	-19.8	0	0	0	111.7	E204 R211 L212	E204-D208 PolarHBondContact O-N 3.17Å; D208-R211 WeakPolarHBondContact O-CB 3.38Å; D208-R211 PolarHBondContact O-N 3.45Å; D208-R211 IonicContact OD1-CZ 3.34Å; D208-R211 VanDerWaalsContact OD1-CZ 3.24Å; D208-R211 IonicContact OD1-NH1 3.55Å; D208-R211 PolarHBondContact OD1-NH1 3.44Å; D208-R211 VanDerWaalsContact OD1-NH1 3.13Å; D208-R211 IonicContact OD1-NH2 2.8Å; D208-R211 PolarHBondContact OD1-NH2 3.2Å; D208-L212 WeakPolarHBondContact O-CB 3.32Å; D208-L212 VanDerWaalsContact O-CG 3.26Å; D208-L212 WeakPolarHBondContact O-CG 3.08Å; D208-L212 PolarHBondContact O-N 3.47Å
209	L	95.9	Very high	95.4	Very high	1 Å²	1	78.8 Å²	78.8	1%	0.005	37%	0.37	C	S	.	.	H	α-helix	trans	-62.8	-47.2	178.9	-71.9	169.1	0	0	0	111.3	F153 M164 Y167 C185 V187 R205 E207 R211 L212 S213	F153-L209 HydrophobicContact CD2-CD1 4.17Å; F153-L209 HydrophobicContact CD2-CD2 4.29Å; F153-L209 HydrophobicContact CE1-CD2 4.16Å; F153-L209 HydrophobicContact CE2-CD1 3.97Å; F153-L209 HydrophobicContact CE2-CD2 3.43Å; F153-L209 VanDerWaalsContact CE2-CD2 3.43Å; F153-L209 HydrophobicContact CE2-CG 4.37Å; F153-L209 HydrophobicContact CZ-CD2 3.35Å; M164-L209 HydrophobicContact CE-CD2 3.89Å; M164-L209 HydrophobicContact CE-CG 4.42Å; M164-L209 HydrophobicContact SD-CD2 3.81Å; Y167-L209 HydrophobicContact CD1-CD2 4.02Å; Y167-L209 HydrophobicContact CE1-CD2 3.84Å; C185-L209 HydrophobicContact CB-CD1 3.87Å; V187-L209 HydrophobicContact CG2-CD1 4.38Å; R205-L209 VanDerWaalsContact O-CB 3.28Å; R205-L209 WeakPolarHBondContact O-CB 3.36Å; R205-L209 WeakPolarHBondContact O-CD1 3.3Å; R205-L209 WeakPolarHBondContact O-CG 3.43Å; R205-L209 PolarHBondContact O-N 2.84Å; E207-L209 PolarHBondContact O-N 2.51Å; L209-R211 PolarHBondContact O-N 2.82Å; L209-L212 PolarHBondContact O-N 2.91Å; L209-L212 VanDerWaalsContact O-N 3.17Å; L209-S213 WeakPolarHBondContact O-CB 3.41Å; L209-S213 PolarHBondContact O-N 2.89Å; L209-S213 PolarHBondContact O-OG 3.15Å
210	R	96	Very high	95.5	Very high	119 Å²	119	75.3 Å²	75.3	45%	0.449	35%	0.352	S	S	.	.	H	α-helix	trans	-63.1	-29.6	177.8	-174.5	-179.3	-72.7	125.7	-1.1	112.6	E206 E207	E206-R210 WeakPolarHBondContact O-CB 3.35Å; E206-R210 PolarHBondContact O-N 3.14Å; E206-R210 IonicContact OE1-CZ 3.24Å; E206-R210 IonicContact OE1-NH1 2.66Å; E206-R210 IonicContact OE1-NH2 3.13Å; E206-R210 PolarHBondContact OE1-NH2 3.11Å; E207-R210 PolarHBondContact O-N 3.05Å
211	R	95.5	Very high	95.5	Very high	142 Å²	142	71.2 Å²	71.2	54%	0.536	33%	0.329	S	S	.	.	H	α-helix	trans	-70.6	-47.6	171.7	-175.1	-179.5	68.5	-134	-8.3	111.5	E207 D208 L209 S213	E207-R211 WeakPolarHBondContact O-CB 3.46Å; E207-R211 PolarHBondContact O-N 3.1Å; D208-R211 WeakPolarHBondContact O-CB 3.38Å; D208-R211 PolarHBondContact O-N 3.45Å; D208-R211 IonicContact OD1-CZ 3.34Å; D208-R211 VanDerWaalsContact OD1-CZ 3.24Å; D208-R211 IonicContact OD1-NH1 3.55Å; D208-R211 PolarHBondContact OD1-NH1 3.44Å; D208-R211 VanDerWaalsContact OD1-NH1 3.13Å; D208-R211 IonicContact OD1-NH2 2.8Å; D208-R211 PolarHBondContact OD1-NH2 3.2Å; L209-R211 PolarHBondContact O-N 2.82Å; R211-S213 VanDerWaalsContact C-N 3.34Å
212	L	93.8	Very high	95.6	Very high	45 Å²	45	73.3 Å²	73.3	24%	0.236	33%	0.334	C	S	.	.	H	α-helix	trans	-73.6	-21.8	-177.5	-67	170.5	0	0	0	113.8	M164 D208 L209 R214	M164-L212 HydrophobicContact CB-CD1 4.29Å; M164-L212 HydrophobicContact CG-CD1 4.08Å; M164-L212 HydrophobicContact SD-CD1 3.68Å; D208-L212 WeakPolarHBondContact O-CB 3.32Å; D208-L212 VanDerWaalsContact O-CG 3.26Å; D208-L212 WeakPolarHBondContact O-CG 3.08Å; D208-L212 PolarHBondContact O-N 3.47Å; L209-L212 PolarHBondContact O-N 2.91Å; L209-L212 VanDerWaalsContact O-N 3.17Å; L212-R214 VanDerWaalsContact C-N 3.3Å; L212-R214 PolarHBondContact O-N 3Å
213	S	94.4	Very high	95.6	Very high	2 Å²	2	72.1 Å²	72.1	1%	0.014	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-20.6	-178.6	-58	0	0	0	0	114.3	Y167 L209 R211 L216 C218	Y167-S213 PolarHBondContact OH-OG 2.68Å; L209-S213 WeakPolarHBondContact O-CB 3.41Å; L209-S213 PolarHBondContact O-N 2.89Å; L209-S213 PolarHBondContact O-OG 3.15Å; R211-S213 VanDerWaalsContact C-N 3.34Å; S213-L216 CarbonylContact C-O 3.37Å; S213-L216 WeakPolarHBondContact CB-O 3.37Å; S213-L216 WeakPolarHBondContact O-CA 3.36Å; S213-L216 WeakPolarHBondContact O-CB 3.49Å; S213-L216 PolarHBondContact O-N 2.95Å; S213-L216 VanDerWaalsContact O-O 3.09Å; S213-C218 WeakPolarHBondContact OG-CB 3.42Å; S213-C218 PolarHBondContact OG-SG 3.42Å
214	R	92.7	Very high	95.6	Very high	195 Å²	195	65.7 Å²	65.7	74%	0.736	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	136.6	-173.3	-66.6	-177.1	177.5	-169.2	-1	111.1	L212	L212-R214 VanDerWaalsContact C-N 3.3Å; L212-R214 PolarHBondContact O-N 3Å
215	P	93.4	Very high	95.6	Very high	106 Å²	106	62 Å²	62	69%	0.688	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	cis	-84.3	-2.4	12.7	34.4	-37.7	0	0	0	115.6	L175	L175-P215 HydrophobicContact CD1-CG 4.27Å; L175-P215 HydrophobicContact CD2-CG 4.04Å
216	L	92.9	Very high	95.6	Very high	26 Å²	26	65.4 Å²	65.4	14%	0.136	30%	0.297	C	S	.	.	S	Bend	trans	-81.5	147.5	-177.1	-62.3	157.5	0	0	0	111	L171 I174 L175 I183 S213	L171-L216 HydrophobicContact CD2-CD1 4.29Å; I174-L216 HydrophobicContact CG2-CD1 4.38Å; L175-L216 HydrophobicContact CB-CD1 4.11Å; L175-L216 HydrophobicContact CD1-CD1 4.19Å; L175-L216 HydrophobicContact CD1-CD2 3.98Å; L175-L216 HydrophobicContact CD1-CG 4.11Å; I183-L216 HydrophobicContact CD1-CB 3.64Å; I183-L216 HydrophobicContact CD1-CD1 3.72Å; I183-L216 HydrophobicContact CD1-CD2 4.49Å; I183-L216 HydrophobicContact CD1-CG 4.13Å; S213-L216 CarbonylContact C-O 3.37Å; S213-L216 WeakPolarHBondContact CB-O 3.37Å; S213-L216 WeakPolarHBondContact O-CA 3.36Å; S213-L216 WeakPolarHBondContact O-CB 3.49Å; S213-L216 PolarHBondContact O-N 2.95Å; S213-L216 VanDerWaalsContact O-O 3.09Å
217	E	93.3	Very high	95.5	Very high	181 Å²	181	65.1 Å²	65.1	85%	0.846	30%	0.298	S	S	*	.			trans	-86.2	135.6	173.1	-65.1	-169.3	164.4	0	0	110.8
218	C	95.4	Very high	95.4	Very high	11 Å²	11	61 Å²	61	7%	0.074	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	142.5	174.6	74.2	0	0	0	0	112	I183 S213	I183-C218 HydrophobicContact CB-CB 4.3Å; I183-C218 HydrophobicContact CG2-CB 4.17Å; I183-C218 WeakPolarHBondContact O-CA 3.39Å; S213-C218 WeakPolarHBondContact OG-CB 3.42Å; S213-C218 PolarHBondContact OG-SG 3.42Å
219	S	97.3	Very high	95.5	Very high	48 Å²	48	60.5 Å²	60.5	34%	0.336	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	119.2	170.6	-69.8	0	0	0	0	109.7	I183 F184 C185	I183-S219 PolarHBondContact O-N 2.87Å; F184-S219 VanDerWaalsContact CA-O 3.3Å; F184-S219 WeakPolarHBondContact CA-O 3.47Å; C185-S219 PolarHBondContact N-O 3.47Å
220	C	97.9	Very high	95.5	Very high	11 Å²	11	60.5 Å²	60.5	7%	0.074	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	141.1	-178.8	-66.8	0	0	0	0	111.6	C185 F202 E206	C185-C220 CarbonylContact O-C 3.57Å; C185-C220 WeakPolarHBondContact O-CA 3.31Å; F202-C220 HydrophobicContact CE2-CB 4.07Å; F202-C220 HydrophobicContact CZ-CB 3.92Å; E206-C220 HydrophobicContact CB-CB 4.16Å; E206-C220 HydrophobicContact CG-CB 3.88Å
221	F	98.2	Very high	95.5	Very high	36 Å²	36	55 Å²	55	16%	0.158	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	134.8	170.3	-63.3	-72.9	0	0	0	111	F184 C185 L186 V187 F202 T223 A233 S236	F184-F221 HydrophobicContact CD1-CD2 4.36Å; F184-F221 AromaticContact CD1-CE2 3.72Å; F184-F221 HydrophobicContact CD1-CE2 3.72Å; F184-F221 HydrophobicContact CE1-CE2 4.08Å; C185-F221 PolarHBondContact O-N 3.06Å; L186-F221 CarbonylContact C-O 3.59Å; L186-F221 WeakPolarHBondContact CA-O 3.41Å; L186-F221 HydrophobicContact CD2-CB 3.83Å; L186-F221 HydrophobicContact CD2-CD2 3.95Å; L186-F221 HydrophobicContact CD2-CG 4.37Å; V187-F221 PolarHBondContact N-O 2.84Å; F202-F221 VanDerWaalsContact CE2-C 3.43Å; F221-T223 HydrophobicContact CB-CG2 4.26Å; F221-A233 HydrophobicContact CB-CB 3.85Å; F221-A233 HydrophobicContact CD1-CB 4.43Å; F221-A233 HydrophobicContact CD2-CB 3.88Å; F221-A233 HydrophobicContact CG-CB 3.81Å; F221-S236 WeakPolarHBondContact CZ-OG 3.26Å
222	R	97.3	Very high	95.5	Very high	83 Å²	83	51.8 Å²	51.8	31%	0.313	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	136.8	159.2	53.1	172.3	178.7	-155.4	-2.2	109.9	V187 M190 R198 D199 F202	V187-R222 CarbonylContact O-C 3.49Å; V187-R222 WeakPolarHBondContact O-CA 3.44Å; M190-R222 HydrophobicContact CG-CB 3.9Å; R198-R222 PolarHBondContact O-NH1 3.34Å; D199-R222 IonicContact OD1-CZ 2.79Å; D199-R222 IonicContact OD1-NH1 3.84Å; D199-R222 PolarHBondContact OD1-NH1 2.99Å; D199-R222 IonicContact OD1-NH2 3.15Å; D199-R222 PolarHBondContact OD1-NH2 3.35Å; F202-R222 HydrophobicContact CD2-CB 3.68Å; F202-R222 HydrophobicContact CD2-CG 4.29Å; F202-R222 HydrophobicContact CE2-CB 4.12Å; F202-R222 HydrophobicContact CG-CB 4.08Å; F202-R222 HydrophobicContact CG-CG 4.31Å
223	T	97.9	Very high	95.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	146.5	-178.8	54.2	0	0	0	0	112.9	L186 V187 H188 K189 M190 F221 T229 A233	L186-T223 HydrophobicContact CD2-CG2 4.16Å; V187-T223 PolarHBondContact O-N 3.35Å; V187-T223 PolarHBondContact O-OG1 2.83Å; H188-T223 CarbonylContact C-O 3.56Å; H188-T223 WeakPolarHBondContact CA-O 3.41Å; H188-T223 PolarHBondContact ND1-O 2.92Å; H188-T223 PolarHBondContact ND1-OG1 2.88Å; K189-T223 PolarHBondContact N-O 3.47Å; K189-T223 VanDerWaalsContact N-O 3.1Å; M190-T223 PolarHBondContact N-O 3.02Å; F221-T223 HydrophobicContact CB-CG2 4.26Å; T223-T229 VanDerWaalsContact CA-OG1 3.28Å; T223-T229 WeakPolarHBondContact CA-OG1 3.44Å; T223-A233 HydrophobicContact CG2-CB 3.61Å
224	S	97.4	Very high	95.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.234	C	C	.	.			trans	-134.4	152.9	163.6	-178.3	0	0	0	0	110.4	D191 W226 D227 T229 L230	D191-S224 WeakPolarHBondContact CB-OG 3.47Å; D191-S224 VanDerWaalsContact OD1-CB 3.31Å; D191-S224 WeakPolarHBondContact OD1-CB 3.48Å; D191-S224 PolarHBondContact OD1-OG 3.49Å; S224-W226 PolarHBondContact OG-N 2.83Å; S224-W226 VanDerWaalsContact OG-N 3.1Å; S224-D227 WeakPolarHBondContact CB-OD2 3.35Å; S224-T229 PolarHBondContact N-OG1 3.01Å; S224-L230 WeakPolarHBondContact O-CB 3.25Å
225	I	95.9	Very high	95.9	Very high	30 Å²	30	41 Å²	41	15%	0.154	20%	0.203	C	C	.	.	S	Bend	trans	-75.1	-12.6	168.8	60.7	172.1	0	0	0	113.3	M56 I59 A66 L230	M56-I225 HydrophobicContact CG-CG2 4.3Å; I59-I225 HydrophobicContact CD1-CB 3.56Å; I59-I225 HydrophobicContact CD1-CG2 3.53Å; A66-I225 HydrophobicContact CB-CB 4.23Å; A66-I225 HydrophobicContact CB-CD1 4.12Å; A66-I225 HydrophobicContact CB-CG1 4.13Å; A66-I225 VanDerWaalsContact CB-O 3.32Å; A66-I225 WeakPolarHBondContact CB-O 3.48Å; I225-L230 HydrophobicContact CG2-CD2 4.47Å
226	W	94.8	Very high	95.9	Very high	122 Å²	122	37.9 Å²	37.9	46%	0.462	18%	0.184	S	C	.	.	S	Bend	trans	-94.4	-9.6	-173.8	-59.2	101.5	0	0	0	114.2	A66 D191 S224	A66-W226 HydrophobicContact CB-CD2 4.11Å; A66-W226 HydrophobicContact CB-CE3 3.76Å; A66-W226 HydrophobicContact CB-CH2 4.26Å; A66-W226 HydrophobicContact CB-CZ3 3.85Å; D191-W226 VanDerWaalsContact CG-CD1 3.45Å; D191-W226 PolarHBondContact OD2-NE1 2.96Å; S224-W226 PolarHBondContact OG-N 2.83Å; S224-W226 VanDerWaalsContact OG-N 3.1Å
227	D	94	Very high	96	Very high	36 Å²	36	36.7 Å²	36.7	19%	0.193	18%	0.178	C	C	.	.	S	Bend	trans	-133.1	-179	-176.5	66.5	35.4	0	0	0	112.4	S224 T229	S224-D227 WeakPolarHBondContact CB-OD2 3.35Å; D227-T229 VanDerWaalsContact C-N 3.29Å; D227-T229 PolarHBondContact O-N 2.7Å; D227-T229 VanDerWaalsContact OD1-CB 3.23Å; D227-T229 WeakPolarHBondContact OD1-CB 3.32Å; D227-T229 WeakPolarHBondContact OD1-CG2 3.23Å; D227-T229 PolarHBondContact OD1-N 3.4Å; D227-T229 PolarHBondContact OD1-OG1 3.5Å
228	E	94.6	Very high	95.9	Very high	50 Å²	50	28.2 Å²	28.2	23%	0.234	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-15.1	180	63.2	-93.4	-148.7	0	0	115	L230 Y231 K232 E290 K291 N294	E228-L230 PolarHBondContact O-N 3.24Å; E228-L230 VanDerWaalsContact O-N 3.14Å; E228-Y231 WeakPolarHBondContact O-CB 3.42Å; E228-Y231 PolarHBondContact O-N 2.95Å; E228-K232 PolarHBondContact O-N 3.04Å; E228-E290 HydrophobicContact CB-CB 3.98Å; E228-E290 HydrophobicContact CB-CG 3.73Å; E228-E290 HydrophobicContact CG-CB 4.4Å; E228-E290 HydrophobicContact CG-CG 3.58Å; E228-K291 HydrophobicContact CB-CG 4.21Å; E228-K291 HydrophobicContact CG-CG 3.82Å; E228-K291 WeakPolarHBondContact OE1-CE 3.39Å; E228-K291 WeakPolarHBondContact OE1-CG 3.23Å; E228-N294 HydrophobicContact CB-CB 4.49Å
229	T	96.8	Very high	95.7	Very high	26 Å²	26	31.3 Å²	31.3	16%	0.16	15%	0.149	C	C	.	.	H	α-helix	trans	-62.9	-29.2	-170.6	63.3	0	0	0	0	112.5	T223 S224 D227 K232 A233	T223-T229 VanDerWaalsContact CA-OG1 3.28Å; T223-T229 WeakPolarHBondContact CA-OG1 3.44Å; S224-T229 PolarHBondContact N-OG1 3.01Å; D227-T229 VanDerWaalsContact C-N 3.29Å; D227-T229 PolarHBondContact O-N 2.7Å; D227-T229 VanDerWaalsContact OD1-CB 3.23Å; D227-T229 WeakPolarHBondContact OD1-CB 3.32Å; D227-T229 WeakPolarHBondContact OD1-CG2 3.23Å; D227-T229 PolarHBondContact OD1-N 3.4Å; D227-T229 PolarHBondContact OD1-OG1 3.5Å; T229-K232 WeakPolarHBondContact O-CB 3.24Å; T229-K232 PolarHBondContact O-N 2.74Å; T229-A233 PolarHBondContact O-N 3.45Å
230	L	96.7	Very high	95.3	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-60.8	-43.1	171.4	-175.4	65.5	0	0	0	112.4	M56 I59 I60 S224 I225 E228 K232 A233 W234	M56-L230 HydrophobicContact CB-CD1 3.91Å; M56-L230 HydrophobicContact CB-CD2 4.45Å; M56-L230 HydrophobicContact CG-CD1 3.47Å; M56-L230 VanDerWaalsContact CG-CD1 3.47Å; M56-L230 HydrophobicContact CG-CD2 4.26Å; M56-L230 HydrophobicContact SD-CD1 3.38Å; M56-L230 WeakPolarHBondContact SD-CD1 3.45Å; I59-L230 HydrophobicContact CB-CD2 4.36Å; I59-L230 HydrophobicContact CD1-CD2 4.37Å; I59-L230 HydrophobicContact CG2-CD2 4.13Å; I60-L230 HydrophobicContact CD1-CD2 4.15Å; I60-L230 HydrophobicContact CD1-CG 4.13Å; I60-L230 HydrophobicContact CG1-CD2 4.28Å; I60-L230 HydrophobicContact CG1-CG 4.36Å; S224-L230 WeakPolarHBondContact O-CB 3.25Å; I225-L230 HydrophobicContact CG2-CD2 4.47Å; E228-L230 PolarHBondContact O-N 3.24Å; E228-L230 VanDerWaalsContact O-N 3.14Å; L230-K232 VanDerWaalsContact C-N 3.33Å; L230-A233 PolarHBondContact O-N 3.07Å; L230-W234 VanDerWaalsContact CD1-CD1 3.47Å; L230-W234 PolarHBondContact O-N 2.91Å
231	Y	96.1	Very high	94.9	Very high	5 Å²	5	32.3 Å²	32.3	2%	0.02	15%	0.148	C	C	.	.	H	α-helix	trans	-67.6	-35.4	177.2	-69	-92.6	0	0	0	111.2	I60 E228 S235 L273 N294 K297	I60-Y231 HydrophobicContact CD1-CD1 3.91Å; I60-Y231 HydrophobicContact CD1-CE1 3.76Å; I60-Y231 HydrophobicContact CD1-CE2 4.5Å; I60-Y231 HydrophobicContact CD1-CG 4.33Å; E228-Y231 WeakPolarHBondContact O-CB 3.42Å; E228-Y231 PolarHBondContact O-N 2.95Å; Y231-S235 WeakPolarHBondContact O-CB 3.37Å; Y231-S235 PolarHBondContact O-N 2.86Å; Y231-S235 PolarHBondContact O-OG 3.3Å; Y231-L273 HydrophobicContact CD1-CD2 4.03Å; Y231-N294 HydrophobicContact CD2-CB 3.95Å; Y231-N294 HydrophobicContact CE2-CB 3.88Å; Y231-K297 HydrophobicContact CE1-CB 4.47Å; Y231-K297 HydrophobicContact CE1-CG 4.46Å; Y231-K297 WeakPolarHBondContact OH-CG 3.48Å
232	K	95.8	Very high	94.3	Very high	73 Å²	73	31.4 Å²	31.4	32%	0.317	14%	0.144	S	C	.	.	H	α-helix	trans	-59.7	-52.1	173.5	-164	-165.1	-165.5	89.5	0	111.2	E228 T229 L230 S235 S236 H287 E290	E228-K232 PolarHBondContact O-N 3.04Å; T229-K232 WeakPolarHBondContact O-CB 3.24Å; T229-K232 PolarHBondContact O-N 2.74Å; L230-K232 VanDerWaalsContact C-N 3.33Å; K232-S235 PolarHBondContact O-N 2.89Å; K232-S236 PolarHBondContact O-N 2.97Å; K232-H287 PolarHBondContact NZ-CE1 3.48Å; K232-H287 PolarHBondContact NZ-ND1 2.84Å; K232-H287 VanDerWaalsContact NZ-ND1 3.17Å; K232-E290 HydrophobicContact CB-CB 4.03Å; K232-E290 HydrophobicContact CB-CG 3.96Å; K232-E290 WeakPolarHBondContact CD-OE1 3.31Å; K232-E290 HydrophobicContact CG-CG 4.47Å; K232-E290 VanDerWaalsContact CG-OE1 3.28Å; K232-E290 WeakPolarHBondContact CG-OE1 3.47Å; K232-E290 IonicContact NZ-OE1 2.74Å; K232-E290 PolarHBondContact NZ-OE1 3.45Å
233	A	96.9	Very high	93.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.3	-51.4	-179.3	0	0	0	0	0	111.7	L186 F221 T223 T229 L230 S235 S236 I237	L186-A233 HydrophobicContact CD2-CB 3.95Å; F221-A233 HydrophobicContact CB-CB 3.85Å; F221-A233 HydrophobicContact CD1-CB 4.43Å; F221-A233 HydrophobicContact CD2-CB 3.88Å; F221-A233 HydrophobicContact CG-CB 3.81Å; T223-A233 HydrophobicContact CG2-CB 3.61Å; T229-A233 PolarHBondContact O-N 3.45Å; L230-A233 PolarHBondContact O-N 3.07Å; A233-S235 PolarHBondContact O-N 3.35Å; A233-S236 PolarHBondContact O-N 2.83Å; A233-I237 WeakPolarHBondContact O-CD1 3.19Å; A233-I237 VanDerWaalsContact O-CG1 3.26Å; A233-I237 WeakPolarHBondContact O-CG1 3.37Å; A233-I237 PolarHBondContact O-N 2.86Å
234	W	95.9	Very high	92.7	Very high	3 Å²	3	33.4 Å²	33.4	1%	0.011	16%	0.163	C	C	.	.	H	α-helix	trans	-66.4	-34.2	179.5	-80.7	95.5	0	0	0	113.3	I60 F61 L121 I150 L230 I237 V238 L273	I60-W234 HydrophobicContact CG1-CB 4.45Å; I60-W234 HydrophobicContact CG1-CG 4Å; F61-W234 HydrophobicContact CE2-CD2 4.37Å; F61-W234 AromaticContact CE2-CE3 3.83Å; F61-W234 HydrophobicContact CE2-CE3 3.83Å; F61-W234 AromaticContact CE2-CH2 3.92Å; F61-W234 HydrophobicContact CE2-CH2 3.92Å; F61-W234 HydrophobicContact CE2-CZ2 4.44Å; F61-W234 AromaticContact CE2-CZ3 3.59Å; F61-W234 HydrophobicContact CE2-CZ3 3.59Å; F61-W234 AromaticContact CZ-CE3 3.76Å; F61-W234 HydrophobicContact CZ-CE3 3.76Å; F61-W234 AromaticContact CZ-CZ3 3.76Å; F61-W234 HydrophobicContact CZ-CZ3 3.76Å; L121-W234 HydrophobicContact CD1-CH2 3.79Å; L121-W234 HydrophobicContact CD1-CZ3 4.15Å; I150-W234 HydrophobicContact CD1-CE3 4.38Å; I150-W234 HydrophobicContact CD1-CH2 3.34Å; I150-W234 HydrophobicContact CD1-CZ2 3.98Å; I150-W234 HydrophobicContact CD1-CZ3 3.58Å; L230-W234 VanDerWaalsContact CD1-CD1 3.47Å; L230-W234 PolarHBondContact O-N 2.91Å; W234-I237 PolarHBondContact O-N 2.97Å; W234-V238 WeakPolarHBondContact O-CB 3.38Å; W234-V238 VanDerWaalsContact O-CG2 3.31Å; W234-V238 WeakPolarHBondContact O-CG2 3.32Å; W234-V238 PolarHBondContact O-N 2.93Å; W234-L273 HydrophobicContact CB-CD1 4.12Å; W234-L273 HydrophobicContact CB-CD2 3.81Å
235	S	94.5	Very high	92.1	Very high	13 Å²	13	34.5 Å²	34.5	9%	0.091	17%	0.17	C	C	.	.	H	α-helix	trans	-64	-44.4	173.9	-58.3	0	0	0	0	110.3	Y231 K232 A233 I237 V238 Y239 L273 V274	Y231-S235 WeakPolarHBondContact O-CB 3.37Å; Y231-S235 PolarHBondContact O-N 2.86Å; Y231-S235 PolarHBondContact O-OG 3.3Å; K232-S235 PolarHBondContact O-N 2.89Å; A233-S235 PolarHBondContact O-N 3.35Å; S235-I237 PolarHBondContact O-N 2.85Å; S235-V238 PolarHBondContact O-N 3.48Å; S235-Y239 WeakPolarHBondContact O-CB 3.4Å; S235-Y239 PolarHBondContact O-N 2.9Å; S235-L273 WeakPolarHBondContact OG-CD2 3.39Å; S235-V274 PolarHBondContact OG-N 3.43Å
236	S	94.6	Very high	91.7	Very high	40 Å²	40	40.2 Å²	40.2	28%	0.28	20%	0.196	S	C	.	.	H	α-helix	trans	-64.1	-40.3	176.8	-170.9	0	0	0	0	113.3	F221 K232 A233 Q240	F221-S236 WeakPolarHBondContact CZ-OG 3.26Å; K232-S236 PolarHBondContact O-N 2.97Å; A233-S236 PolarHBondContact O-N 2.83Å; S236-Q240 WeakPolarHBondContact O-CG 3.49Å; S236-Q240 PolarHBondContact O-N 2.87Å
237	I	94.3	Very high	91.4	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-63.5	-48.9	176.8	-68.5	162.4	0	0	0	110.8	V148 I150 F184 L186 A233 W234 S235 Q240	V148-I237 HydrophobicContact CG1-CG2 4.1Å; I150-I237 HydrophobicContact CD1-CD1 4.04Å; I150-I237 HydrophobicContact CD1-CG2 4.08Å; I150-I237 HydrophobicContact CG1-CD1 4.22Å; I150-I237 HydrophobicContact CG1-CG2 4.44Å; I150-I237 HydrophobicContact CG2-CD1 4.41Å; F184-I237 HydrophobicContact CB-CD1 4.2Å; F184-I237 HydrophobicContact CB-CG1 4.22Å; F184-I237 HydrophobicContact CD1-CD1 4.43Å; F184-I237 HydrophobicContact CD1-CG1 3.66Å; F184-I237 HydrophobicContact CD2-CG1 3.85Å; F184-I237 HydrophobicContact CD2-CG2 4.36Å; F184-I237 HydrophobicContact CE1-CG1 3.83Å; F184-I237 HydrophobicContact CE2-CB 4.39Å; F184-I237 HydrophobicContact CE2-CG1 4.02Å; F184-I237 HydrophobicContact CE2-CG2 4.21Å; F184-I237 HydrophobicContact CG-CD1 4.17Å; F184-I237 HydrophobicContact CG-CG1 3.64Å; F184-I237 HydrophobicContact CZ-CB 4.4Å; F184-I237 HydrophobicContact CZ-CG1 3.99Å; L186-I237 HydrophobicContact CD2-CD1 4.43Å; A233-I237 WeakPolarHBondContact O-CD1 3.19Å; A233-I237 VanDerWaalsContact O-CG1 3.26Å; A233-I237 WeakPolarHBondContact O-CG1 3.37Å; A233-I237 PolarHBondContact O-N 2.86Å; W234-I237 PolarHBondContact O-N 2.97Å; S235-I237 PolarHBondContact O-N 2.85Å; I237-Q240 PolarHBondContact O-N 3.27Å
238	V	91.7	Very high	91.1	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.018	20%	0.196	C	C	.	.	H	α-helix	trans	-71.2	-36.6	-178.3	179.1	0	0	0	0	111.1	F113 L119 W234 S235 Q240 L241 I242 L273	F113-V238 HydrophobicContact CD1-CG1 3.79Å; F113-V238 HydrophobicContact CD2-CG1 4.25Å; F113-V238 HydrophobicContact CE1-CG1 3.43Å; F113-V238 VanDerWaalsContact CE1-CG1 3.43Å; F113-V238 HydrophobicContact CE2-CG1 3.92Å; F113-V238 HydrophobicContact CG-CG1 4.19Å; F113-V238 HydrophobicContact CZ-CB 4.48Å; F113-V238 HydrophobicContact CZ-CG1 3.5Å; F113-V238 VanDerWaalsContact CZ-CG1 3.5Å; L119-V238 HydrophobicContact CD1-CG2 4.16Å; W234-V238 WeakPolarHBondContact O-CB 3.38Å; W234-V238 VanDerWaalsContact O-CG2 3.31Å; W234-V238 WeakPolarHBondContact O-CG2 3.32Å; W234-V238 PolarHBondContact O-N 2.93Å; S235-V238 PolarHBondContact O-N 3.48Å; V238-Q240 PolarHBondContact O-N 3.07Å; V238-L241 WeakPolarHBondContact O-CA 3.39Å; V238-L241 WeakPolarHBondContact O-CB 3.26Å; V238-L241 PolarHBondContact O-N 3.03Å; V238-I242 HydrophobicContact CG1-CD1 4.29Å; V238-I242 HydrophobicContact CG1-CG1 4.35Å; V238-I242 WeakPolarHBondContact O-CG1 3.39Å; V238-I242 PolarHBondContact O-N 3.18Å; V238-L273 HydrophobicContact CG2-CD1 4.07Å
239	Y	90.6	Very high	90.9	Very high	76 Å²	76	40 Å²	40	30%	0.298	20%	0.199	S	C	.	.	H	α-helix	trans	-50.4	-44.6	172.9	-176.1	-94.1	0	0	0	112	S235 L241 I242 V245 E249 I275	S235-Y239 WeakPolarHBondContact O-CB 3.4Å; S235-Y239 PolarHBondContact O-N 2.9Å; Y239-L241 PolarHBondContact O-N 2.86Å; Y239-I242 PolarHBondContact O-N 2.86Å; Y239-V245 HydrophobicContact CD2-CG2 4.08Å; Y239-V245 HydrophobicContact CE2-CG2 3.37Å; Y239-E249 PolarHBondContact OH-OE1 3.39Å; Y239-E249 VanDerWaalsContact OH-OE1 3.12Å; Y239-I275 WeakPolarHBondContact CD2-O 3.31Å; Y239-I275 WeakPolarHBondContact CE2-O 3.45Å
240	Q	90.3	Very high	90.7	Very high	67 Å²	67	45.1 Å²	45.1	31%	0.313	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-6.7	178.7	-69	-168.1	36.7	0	0	115.2	K182 F184 S236 I237 V238	K182-Q240 HydrophobicContact CD-CB 4.22Å; K182-Q240 VanDerWaalsContact CD-OE1 3.25Å; K182-Q240 PolarHBondContact NZ-O 2.9Å; F184-Q240 HydrophobicContact CZ-CB 4.48Å; F184-Q240 HydrophobicContact CZ-CG 4.42Å; S236-Q240 WeakPolarHBondContact O-CG 3.49Å; S236-Q240 PolarHBondContact O-N 2.87Å; I237-Q240 PolarHBondContact O-N 3.27Å; V238-Q240 PolarHBondContact O-N 3.07Å
241	L	88.5	Confident	90.5	Very high	14 Å²	14	46.5 Å²	46.5	7%	0.073	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-10.9	175.1	-71.1	174	0	0	0	113.3	K41 V43 L117 L119 E147 V148 V238 Y239	K41-L241 HydrophobicContact CB-CD2 4.21Å; K41-L241 HydrophobicContact CD-CD2 4.34Å; K41-L241 HydrophobicContact CG-CD2 4.25Å; V43-L241 HydrophobicContact CG2-CD1 3.85Å; L117-L241 HydrophobicContact CD2-CB 4.42Å; L119-L241 HydrophobicContact CD2-CD1 3.7Å; E147-L241 HydrophobicContact CB-CD2 4.17Å; V148-L241 HydrophobicContact CG2-CD1 4.03Å; V148-L241 HydrophobicContact CG2-CD2 3.68Å; V148-L241 HydrophobicContact CG2-CG 3.93Å; V238-L241 WeakPolarHBondContact O-CA 3.39Å; V238-L241 WeakPolarHBondContact O-CB 3.26Å; V238-L241 PolarHBondContact O-N 3.03Å; Y239-L241 PolarHBondContact O-N 2.86Å
242	I	86.4	Confident	90.4	Very high	17 Å²	17	46.3 Å²	46.3	9%	0.087	23%	0.23	C	C	.	.			trans	-77.8	123.9	-176.9	-69.6	169.6	0	0	0	110	F113 L114 L117 V238 Y239 V245 I275	F113-I242 HydrophobicContact CE1-CD1 4Å; F113-I242 HydrophobicContact CE1-CG1 4.48Å; L114-I242 HydrophobicContact CD1-CD1 3.88Å; L114-I242 HydrophobicContact CD1-CG1 4.1Å; L114-I242 HydrophobicContact CD1-CG2 4.13Å; L117-I242 HydrophobicContact CD2-CG1 4.36Å; V238-I242 HydrophobicContact CG1-CD1 4.29Å; V238-I242 HydrophobicContact CG1-CG1 4.35Å; V238-I242 WeakPolarHBondContact O-CG1 3.39Å; V238-I242 PolarHBondContact O-N 3.18Å; Y239-I242 PolarHBondContact O-N 2.86Å; I242-V245 HydrophobicContact CG2-CB 4.22Å; I242-V245 HydrophobicContact CG2-CG2 4.41Å; I242-I275 HydrophobicContact CD1-CB 4.45Å; I242-I275 HydrophobicContact CD1-CG1 4.39Å; I242-I275 HydrophobicContact CD1-CG2 3.84Å
243	P	81.5	Confident	90.4	Very high	35 Å²	35	49.5 Å²	49.5	23%	0.227	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	155.1	173.4	34.1	-39.2	0	0	0	110.8	M39 V245	M39-P243 HydrophobicContact CE-CB 3.57Å; M39-P243 HydrophobicContact CE-CG 3.52Å; P243-V245 PolarHBondContact O-N 2.78Å
244	N	80.6	Confident	90.3	Very high	89 Å²	89	53.5 Å²	53.5	48%	0.476	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	22.6	169.7	-55.2	-38.1	0	0	0	115.3	Q246 Q247 L248 D365	N244-Q246 PolarHBondContact O-N 3.2Å; N244-Q246 VanDerWaalsContact O-N 3.15Å; N244-Q247 WeakPolarHBondContact O-CB 3.32Å; N244-Q247 PolarHBondContact O-N 2.79Å; N244-L248 PolarHBondContact O-N 2.96Å; N244-D365 PolarHBondContact ND2-OD1 2.99Å; N244-D365 PolarHBondContact ND2-OD2 3.43Å
245	V	84.7	Confident	90.2	Very high	24 Å²	24	54 Å²	54	15%	0.145	26%	0.264	C	S	.	.	H	α-helix	trans	-56.7	-35.5	-173.5	71.8	0	0	0	0	113.2	Y239 I242 P243 Q247 L248 E249	Y239-V245 HydrophobicContact CD2-CG2 4.08Å; Y239-V245 HydrophobicContact CE2-CG2 3.37Å; I242-V245 HydrophobicContact CG2-CB 4.22Å; I242-V245 HydrophobicContact CG2-CG2 4.41Å; P243-V245 PolarHBondContact O-N 2.78Å; V245-Q247 VanDerWaalsContact C-N 3.31Å; V245-Q247 PolarHBondContact O-N 3.21Å; V245-L248 WeakPolarHBondContact O-CA 3.32Å; V245-L248 WeakPolarHBondContact O-CB 3.16Å; V245-L248 PolarHBondContact O-N 3.04Å; V245-E249 WeakPolarHBondContact O-CG 3.37Å; V245-E249 PolarHBondContact O-N 2.56Å
246	Q	86.8	Confident	90.2	Very high	150 Å²	150	53.3 Å²	53.3	70%	0.701	26%	0.259	S	S	*	.	H	α-helix	trans	-58.8	-39.2	174.3	-65	173.1	-13.5	0	0	112.9	N244 L248 M250	N244-Q246 PolarHBondContact O-N 3.2Å; N244-Q246 VanDerWaalsContact O-N 3.15Å; Q246-L248 VanDerWaalsContact C-N 3.34Å; Q246-M250 WeakPolarHBondContact O-CG 3.43Å; Q246-M250 PolarHBondContact O-N 2.77Å
247	Q	87.9	Confident	90.1	Very high	106 Å²	106	56.4 Å²	56.4	50%	0.495	27%	0.269	S	S	.	.	H	α-helix	trans	-70.8	-35	176.8	-169.4	179.5	9.8	0	0	110.7	N244 V245 N251	N244-Q247 WeakPolarHBondContact O-CB 3.32Å; N244-Q247 PolarHBondContact O-N 2.79Å; V245-Q247 VanDerWaalsContact C-N 3.31Å; V245-Q247 PolarHBondContact O-N 3.21Å; Q247-N251 WeakPolarHBondContact O-CB 3.35Å; Q247-N251 VanDerWaalsContact O-CG 3.29Å; Q247-N251 PolarHBondContact O-N 2.91Å; Q247-N251 VanDerWaalsContact O-N 3.07Å; Q247-N251 PolarHBondContact O-ND2 2.98Å
248	L	88.4	Confident	90	Very high	30 Å²	30	62 Å²	62	16%	0.157	30%	0.298	C	S	.	.	H	α-helix	trans	-65.8	-45	174.9	-172.7	59	0	0	0	111.4	N244 V245 Q246 N251 L252 L266 I275 F358	N244-L248 PolarHBondContact O-N 2.96Å; V245-L248 WeakPolarHBondContact O-CA 3.32Å; V245-L248 WeakPolarHBondContact O-CB 3.16Å; V245-L248 PolarHBondContact O-N 3.04Å; Q246-L248 VanDerWaalsContact C-N 3.34Å; L248-N251 PolarHBondContact O-N 3.44Å; L248-L252 WeakPolarHBondContact O-CB 3.48Å; L248-L252 PolarHBondContact O-N 3.46Å; L248-L266 HydrophobicContact CD1-CD2 3.8Å; L248-L266 HydrophobicContact CD2-CD2 3.87Å; L248-L266 HydrophobicContact CG-CD2 4.01Å; L248-I275 HydrophobicContact CD2-CG2 3.42Å; L248-I275 VanDerWaalsContact CD2-CG2 3.42Å; L248-F358 HydrophobicContact CD1-CD1 3.98Å; L248-F358 HydrophobicContact CD1-CE1 3.92Å
249	E	90.8	Very high	90.1	Very high	66 Å²	66	62.3 Å²	62.3	31%	0.308	30%	0.299	S	S	.	.	H	α-helix	trans	-59.7	-46.2	174.1	-72.1	-176.3	132.1	0	0	112.3	Y239 V245 N251 L252 R253	Y239-E249 PolarHBondContact OH-OE1 3.39Å; Y239-E249 VanDerWaalsContact OH-OE1 3.12Å; V245-E249 WeakPolarHBondContact O-CG 3.37Å; V245-E249 PolarHBondContact O-N 2.56Å; E249-N251 PolarHBondContact O-N 3.29Å; E249-L252 PolarHBondContact O-N 3.01Å; E249-R253 WeakPolarHBondContact O-CB 3.18Å; E249-R253 PolarHBondContact O-N 3.46Å
250	M	91.9	Very high	90.1	Very high	135 Å²	135	65.7 Å²	65.7	67%	0.665	32%	0.318	S	S	*	.	H	α-helix	trans	-59.9	-43.6	176.6	-78.3	-178.9	65.3	0	0	112.4	Q246 R253 N254	Q246-M250 WeakPolarHBondContact O-CG 3.43Å; Q246-M250 PolarHBondContact O-N 2.77Å; M250-R253 PolarHBondContact O-N 2.84Å; M250-N254 WeakPolarHBondContact O-CB 3.3Å; M250-N254 PolarHBondContact O-N 2.99Å
251	N	92.4	Very high	90.3	Very high	30 Å²	30	62.7 Å²	62.7	16%	0.16	30%	0.304	C	S	.	.	H	α-helix	trans	-70.5	-35.4	178.7	-70.2	-44.1	0	0	0	112	Q247 L248 E249 F255 F358 L361	Q247-N251 WeakPolarHBondContact O-CB 3.35Å; Q247-N251 VanDerWaalsContact O-CG 3.29Å; Q247-N251 PolarHBondContact O-N 2.91Å; Q247-N251 VanDerWaalsContact O-N 3.07Å; Q247-N251 PolarHBondContact O-ND2 2.98Å; L248-N251 PolarHBondContact O-N 3.44Å; E249-N251 PolarHBondContact O-N 3.29Å; N251-F255 WeakPolarHBondContact O-CB 3.38Å; N251-F255 PolarHBondContact O-N 3.47Å; N251-F358 HydrophobicContact CB-CE1 4.09Å; N251-F358 HydrophobicContact CB-CZ 3.94Å; N251-L361 HydrophobicContact CB-CD1 4.08Å; N251-L361 WeakPolarHBondContact ND2-CD1 3.24Å
252	L	94	Very high	90.5	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-68	-39.7	175.6	-163.5	70.5	0	0	0	111.6	L248 E249 F255 A256 V264 L266 S276 F358	L248-L252 WeakPolarHBondContact O-CB 3.48Å; L248-L252 PolarHBondContact O-N 3.46Å; E249-L252 PolarHBondContact O-N 3.01Å; L252-F255 PolarHBondContact O-N 3.39Å; L252-A256 WeakPolarHBondContact O-CB 3.39Å; L252-A256 PolarHBondContact O-N 3.01Å; L252-V264 HydrophobicContact CD1-CG1 3.72Å; L252-V264 HydrophobicContact CG-CG1 4.13Å; L252-L266 HydrophobicContact CD1-CB 4.35Å; L252-L266 HydrophobicContact CD2-CB 4.18Å; L252-S276 WeakPolarHBondContact CD2-OG 3.38Å; L252-F358 HydrophobicContact CD1-CE1 4.43Å; L252-F358 HydrophobicContact CD1-CZ 4.35Å
253	R	94.9	Very high	90.9	Very high	140 Å²	140	62.5 Å²	62.5	53%	0.528	30%	0.303	S	S	.	.	H	α-helix	trans	-59.9	-53	171.9	174.8	173.9	-54.9	174.7	5.1	111.7	E249 M250 F255 A256 E257 Y278	E249-R253 WeakPolarHBondContact O-CB 3.18Å; E249-R253 PolarHBondContact O-N 3.46Å; M250-R253 PolarHBondContact O-N 2.84Å; R253-F255 VanDerWaalsContact C-N 3.29Å; R253-F255 PolarHBondContact O-N 3.36Å; R253-A256 WeakPolarHBondContact O-CB 2.86Å; R253-A256 PolarHBondContact O-N 2.65Å; R253-E257 WeakPolarHBondContact CD-OE1 3.45Å; R253-E257 HydrophobicContact CG-CG 4.36Å; R253-E257 WeakPolarHBondContact CG-OE1 3.19Å; R253-E257 WeakPolarHBondContact O-CG 3.37Å; R253-E257 PolarHBondContact O-N 3.21Å; R253-Y278 HydrophobicContact CB-CD2 3.85Å; R253-Y278 HydrophobicContact CB-CE2 4.3Å; R253-Y278 HydrophobicContact CG-CD2 3.78Å; R253-Y278 HydrophobicContact CG-CE2 3.7Å
254	N	94.7	Very high	91.6	Very high	83 Å²	83	60.8 Å²	60.8	44%	0.444	29%	0.292	S	S	.	.	H	α-helix	trans	-59.5	-40.9	179.2	-171	3	0	0	0	111.4	M250 E257 I258	M250-N254 WeakPolarHBondContact O-CB 3.3Å; M250-N254 PolarHBondContact O-N 2.99Å; N254-E257 PolarHBondContact O-N 3.06Å; N254-I258 WeakPolarHBondContact O-CB 3.5Å; N254-I258 WeakPolarHBondContact O-CD1 3.32Å; N254-I258 VanDerWaalsContact O-CG1 3.23Å; N254-I258 WeakPolarHBondContact O-CG1 3.5Å; N254-I258 PolarHBondContact O-N 3.27Å; N254-I258 WeakPolarHBondContact OD1-CD1 3.37Å
255	F	94.8	Very high	92.3	Very high	13 Å²	13	56.6 Å²	56.6	6%	0.057	27%	0.27	C	S	.	.	H	α-helix	trans	-60.7	-45.9	172.1	170.7	-116.8	0	0	0	112.7	N251 L252 R253 I258 I259 V264 F327 V333 V335 I351 A354 F358	N251-F255 WeakPolarHBondContact O-CB 3.38Å; N251-F255 PolarHBondContact O-N 3.47Å; L252-F255 PolarHBondContact O-N 3.39Å; R253-F255 VanDerWaalsContact C-N 3.29Å; R253-F255 PolarHBondContact O-N 3.36Å; F255-I258 PolarHBondContact O-N 3.34Å; F255-I259 HydrophobicContact CD1-CD1 4.28Å; F255-I259 HydrophobicContact CD2-CG2 4.08Å; F255-I259 HydrophobicContact CE1-CD1 3.73Å; F255-I259 HydrophobicContact CE2-CD1 4Å; F255-I259 HydrophobicContact CE2-CG2 3.71Å; F255-I259 HydrophobicContact CZ-CD1 3.58Å; F255-I259 HydrophobicContact CZ-CG2 4.32Å; F255-I259 WeakPolarHBondContact O-CG1 3.33Å; F255-I259 WeakPolarHBondContact O-CG2 3.46Å; F255-I259 PolarHBondContact O-N 3.06Å; F255-V264 HydrophobicContact CD1-CG1 4.13Å; F255-V264 HydrophobicContact CE1-CG1 4.07Å; F255-F327 HydrophobicContact CE1-CZ 4.42Å; F255-V333 HydrophobicContact CE1-CG2 4.36Å; F255-V335 HydrophobicContact CE1-CG2 4.13Å; F255-V335 HydrophobicContact CZ-CG2 4.39Å; F255-I351 HydrophobicContact CZ-CG1 4.04Å; F255-A354 HydrophobicContact CD2-CB 3.43Å; F255-A354 VanDerWaalsContact CD2-CB 3.43Å; F255-A354 HydrophobicContact CE2-CB 3.35Å; F255-A354 HydrophobicContact CG-CB 4.26Å; F255-A354 HydrophobicContact CZ-CB 4.13Å; F255-F358 HydrophobicContact CB-CE2 4.28Å; F255-F358 HydrophobicContact CB-CZ 4.38Å
256	A	94.7	Very high	92.8	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.6	-38.7	179.3	0	0	0	0	0	112.9	L252 R253 I259 E260 A261 V264 Y278	L252-A256 WeakPolarHBondContact O-CB 3.39Å; L252-A256 PolarHBondContact O-N 3.01Å; R253-A256 WeakPolarHBondContact O-CB 2.86Å; R253-A256 PolarHBondContact O-N 2.65Å; A256-I259 PolarHBondContact O-N 3.48Å; A256-E260 PolarHBondContact O-N 3.2Å; A256-A261 PolarHBondContact O-N 3.39Å; A256-V264 HydrophobicContact CB-CB 4.23Å; A256-V264 HydrophobicContact CB-CG2 3.54Å; A256-Y278 HydrophobicContact CB-CD1 3.17Å; A256-Y278 HydrophobicContact CB-CD2 4.47Å; A256-Y278 HydrophobicContact CB-CE1 3.56Å; A256-Y278 HydrophobicContact CB-CG 3.68Å
257	E	93.1	Very high	93.3	Very high	105 Å²	105	48.4 Å²	48.4	49%	0.491	23%	0.23	S	C	.	.	H	α-helix	trans	-65.2	-44.2	175	-72.1	167.4	-176.4	0	0	111.4	R253 N254 I259 E260	R253-E257 WeakPolarHBondContact CD-OE1 3.45Å; R253-E257 HydrophobicContact CG-CG 4.36Å; R253-E257 WeakPolarHBondContact CG-OE1 3.19Å; R253-E257 WeakPolarHBondContact O-CG 3.37Å; R253-E257 PolarHBondContact O-N 3.21Å; N254-E257 PolarHBondContact O-N 3.06Å; E257-I259 VanDerWaalsContact C-N 3.29Å; E257-I259 PolarHBondContact O-N 3.39Å; E257-E260 PolarHBondContact O-N 3.36Å
258	I	92.3	Very high	93.5	Very high	119 Å²	119	43.8 Å²	43.8	61%	0.61	21%	0.209	S	C	*	.	H	α-helix	trans	-62.8	-32.6	177.9	-72.1	165.8	0	0	0	112.9	N254 F255	N254-I258 WeakPolarHBondContact O-CB 3.5Å; N254-I258 WeakPolarHBondContact O-CD1 3.32Å; N254-I258 VanDerWaalsContact O-CG1 3.23Å; N254-I258 WeakPolarHBondContact O-CG1 3.5Å; N254-I258 PolarHBondContact O-N 3.27Å; N254-I258 WeakPolarHBondContact OD1-CD1 3.37Å; F255-I258 PolarHBondContact O-N 3.34Å
259	I	91.9	Very high	93.7	Very high	9 Å²	9	47.4 Å²	47.4	5%	0.046	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	0.2	-179.3	73.6	-175.9	0	0	0	113.5	F255 A256 E257 A261 V264 V335 M337 N350	F255-I259 HydrophobicContact CD1-CD1 4.28Å; F255-I259 HydrophobicContact CD2-CG2 4.08Å; F255-I259 HydrophobicContact CE1-CD1 3.73Å; F255-I259 HydrophobicContact CE2-CD1 4Å; F255-I259 HydrophobicContact CE2-CG2 3.71Å; F255-I259 HydrophobicContact CZ-CD1 3.58Å; F255-I259 HydrophobicContact CZ-CG2 4.32Å; F255-I259 WeakPolarHBondContact O-CG1 3.33Å; F255-I259 WeakPolarHBondContact O-CG2 3.46Å; F255-I259 PolarHBondContact O-N 3.06Å; A256-I259 PolarHBondContact O-N 3.48Å; E257-I259 VanDerWaalsContact C-N 3.29Å; E257-I259 PolarHBondContact O-N 3.39Å; I259-A261 VanDerWaalsContact C-N 3.31Å; I259-A261 HydrophobicContact CD1-CB 3.88Å; I259-A261 HydrophobicContact CG1-CB 3.71Å; I259-A261 PolarHBondContact O-N 3.01Å; I259-V264 HydrophobicContact CD1-CG2 4.27Å; I259-V335 HydrophobicContact CD1-CG1 3.64Å; I259-V335 HydrophobicContact CD1-CG2 4.09Å; I259-M337 WeakPolarHBondContact O-CE 3.36Å; I259-N350 HydrophobicContact CG2-CB 3.59Å
260	E	91.8	Very high	93.7	Very high	146 Å²	146	46.7 Å²	46.7	68%	0.682	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	37.7	-176.9	-57.4	-176.8	167.3	0	0	114.1	A256 E257 M337	A256-E260 PolarHBondContact O-N 3.2Å; E257-E260 PolarHBondContact O-N 3.36Å; E260-M337 WeakPolarHBondContact O-CE 3.31Å
261	A	93.3	Very high	93.7	Very high	4 Å²	4	40.4 Å²	40.4	3%	0.033	20%	0.195	C	C	.	.			trans	-77.7	140.4	-179.5	0	0	0	0	0	113.3	A256 I259 E263 V264 V335 M337	A256-A261 PolarHBondContact O-N 3.39Å; I259-A261 VanDerWaalsContact C-N 3.31Å; I259-A261 HydrophobicContact CD1-CB 3.88Å; I259-A261 HydrophobicContact CG1-CB 3.71Å; I259-A261 PolarHBondContact O-N 3.01Å; A261-E263 VanDerWaalsContact C-N 3.34Å; A261-V264 HydrophobicContact CB-CG2 3.62Å; A261-V335 HydrophobicContact CB-CG1 3.9Å; A261-M337 VanDerWaalsContact CA-SD 3.59Å; A261-M337 HydrophobicContact CB-SD 3.69Å
262	D	93.1	Very high	93.9	Very high	16 Å²	16	39 Å²	39	9%	0.086	19%	0.187	C	C	.	.	S	Bend	trans	-69.6	-35.5	171.1	-70.1	-77.6	0	0	0	111.4	C280 K281 V336 S338	D262-C280 WeakPolarHBondContact O-CB 3.35Å; D262-C280 PolarHBondContact O-N 3.17Å; D262-K281 IonicContact OD1-NZ 3.52Å; D262-K281 PolarHBondContact OD1-NZ 3.34Å; D262-V336 PolarHBondContact N-O 2.85Å; D262-S338 PolarHBondContact OD1-OG 2.91Å; D262-S338 WeakPolarHBondContact OD2-CA 3.2Å; D262-S338 WeakPolarHBondContact OD2-CB 3.47Å; D262-S338 PolarHBondContact OD2-N 2.87Å; D262-S338 PolarHBondContact OD2-OG 2.83Å
263	E	94.9	Very high	93.9	Very high	11 Å²	11	39 Å²	39	5%	0.051	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	137.6	-178.4	179.8	161.9	-152.3	0	0	111.3	A261 L265 Y278 R288 F289 V336	A261-E263 VanDerWaalsContact C-N 3.34Å; E263-L265 HydrophobicContact CG-CD2 3.85Å; E263-L265 HydrophobicContact CG-CG 4.27Å; E263-L265 WeakPolarHBondContact OE1-CD2 3.49Å; E263-Y278 CarbonylContact C-O 3.6Å; E263-Y278 VanDerWaalsContact CA-O 3.31Å; E263-Y278 WeakPolarHBondContact CA-O 3.44Å; E263-R288 IonicContact OE1-CZ 3.81Å; E263-R288 IonicContact OE1-NE 2.7Å; E263-R288 PolarHBondContact OE1-NE 3.43Å; E263-R288 IonicContact OE1-NH2 2.71Å; E263-R288 PolarHBondContact OE1-NH2 3.04Å; E263-R288 IonicContact OE2-CZ 3.31Å; E263-R288 IonicContact OE2-NE 3.89Å; E263-R288 PolarHBondContact OE2-NE 3.43Å; E263-R288 IonicContact OE2-NH2 2.66Å; E263-F289 VanDerWaalsContact OE1-CE1 3.25Å; E263-F289 WeakPolarHBondContact OE1-CE1 3.31Å; E263-V336 HydrophobicContact CB-CB 4.17Å; E263-V336 HydrophobicContact CB-CG2 4.37Å; E263-V336 PolarHBondContact N-O 2.88Å; E263-V336 PolarHBondContact O-N 2.93Å
264	V	96.3	Very high	93.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	125.6	173.7	-176.8	0	0	0	0	109.4	L252 F255 A256 I259 A261 H277 Y278 V333 M334 V335	L252-V264 HydrophobicContact CD1-CG1 3.72Å; L252-V264 HydrophobicContact CG-CG1 4.13Å; F255-V264 HydrophobicContact CD1-CG1 4.13Å; F255-V264 HydrophobicContact CE1-CG1 4.07Å; A256-V264 HydrophobicContact CB-CB 4.23Å; A256-V264 HydrophobicContact CB-CG2 3.54Å; I259-V264 HydrophobicContact CD1-CG2 4.27Å; A261-V264 HydrophobicContact CB-CG2 3.62Å; V264-H277 CarbonylContact O-C 3.21Å; V264-H277 VanDerWaalsContact O-CA 3.26Å; V264-H277 WeakPolarHBondContact O-CA 3.48Å; V264-Y278 PolarHBondContact N-O 2.91Å; V264-Y278 PolarHBondContact O-N 2.7Å; V264-V333 HydrophobicContact CG1-CG2 3.68Å; V264-M334 CarbonylContact C-O 3.59Å; V264-M334 VanDerWaalsContact CA-O 3.31Å; V264-M334 WeakPolarHBondContact CA-O 3.42Å; V264-V335 HydrophobicContact CG1-CG2 4.31Å; V264-V335 HydrophobicContact CG2-CG1 4.44Å; V264-V335 HydrophobicContact CG2-CG2 4.35Å
265	L	96.1	Very high	93.8	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	137.5	178.7	-48.1	-178.8	0	0	0	110.2	E263 F267 H277 F289 I292 V333 M334	E263-L265 HydrophobicContact CG-CD2 3.85Å; E263-L265 HydrophobicContact CG-CG 4.27Å; E263-L265 WeakPolarHBondContact OE1-CD2 3.49Å; L265-F267 HydrophobicContact CB-CD2 4.35Å; L265-F267 HydrophobicContact CB-CE2 3.54Å; L265-F267 HydrophobicContact CB-CZ 3.67Å; L265-F267 HydrophobicContact CD1-CE2 4.21Å; L265-F267 HydrophobicContact CD1-CZ 3.64Å; L265-F267 HydrophobicContact CG-CZ 4.31Å; L265-H277 HydrophobicContact CD2-CB 3.56Å; L265-F289 HydrophobicContact CD1-CD1 4.17Å; L265-F289 HydrophobicContact CD2-CD1 3.55Å; L265-F289 HydrophobicContact CD2-CE1 3.55Å; L265-I292 HydrophobicContact CD1-CD1 3.79Å; L265-V333 CarbonylContact O-C 3.58Å; L265-V333 WeakPolarHBondContact O-CA 3.49Å; L265-M334 HydrophobicContact CB-CB 4.2Å; L265-M334 HydrophobicContact CD1-SD 4.19Å; L265-M334 PolarHBondContact N-O 3.22Å; L265-M334 PolarHBondContact O-N 3.24Å
266	L	95.5	Very high	93.7	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.01	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	124.8	174.3	-170.9	72.8	0	0	0	109.5	L248 L252 I275 S276 F327 T331	L248-L266 HydrophobicContact CD1-CD2 3.8Å; L248-L266 HydrophobicContact CD2-CD2 3.87Å; L248-L266 HydrophobicContact CG-CD2 4.01Å; L252-L266 HydrophobicContact CD1-CB 4.35Å; L252-L266 HydrophobicContact CD2-CB 4.18Å; L266-I275 HydrophobicContact CD2-CB 4.42Å; L266-I275 HydrophobicContact CD2-CD1 4.37Å; L266-I275 HydrophobicContact CD2-CG2 4.23Å; L266-I275 HydrophobicContact CG-CD1 4.17Å; L266-I275 PolarHBondContact O-N 2.77Å; L266-S276 PolarHBondContact N-O 2.77Å; L266-S276 PolarHBondContact O-N 3.18Å; L266-F327 HydrophobicContact CD1-CD1 3.64Å; L266-F327 HydrophobicContact CD1-CE1 4.25Å; L266-T331 HydrophobicContact CD1-CG2 4.17Å; L266-T331 HydrophobicContact CG-CG2 4.28Å
267	F	95.6	Very high	93.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	147.2	-177.6	-54.5	-90.3	0	0	0	111.6	L265 F272 L273 V274 I292 T331 Y332 M334	L265-F267 HydrophobicContact CB-CD2 4.35Å; L265-F267 HydrophobicContact CB-CE2 3.54Å; L265-F267 HydrophobicContact CB-CZ 3.67Å; L265-F267 HydrophobicContact CD1-CE2 4.21Å; L265-F267 HydrophobicContact CD1-CZ 3.64Å; L265-F267 HydrophobicContact CG-CZ 4.31Å; F267-F272 HydrophobicContact CB-CD1 4.01Å; F267-F272 HydrophobicContact CB-CE1 4.09Å; F267-F272 HydrophobicContact CB-CG 4.42Å; F267-F272 AromaticContact CD1-CD1 3.85Å; F267-F272 HydrophobicContact CD1-CD1 3.85Å; F267-F272 HydrophobicContact CD1-CE1 4.16Å; F267-F272 WeakPolarHBondContact CD1-O 3.3Å; F267-F272 HydrophobicContact CD2-CD1 4.37Å; F267-F272 AromaticContact CD2-CE1 3.86Å; F267-F272 HydrophobicContact CD2-CE1 3.86Å; F267-F272 HydrophobicContact CE1-CD1 4.36Å; F267-F272 HydrophobicContact CE2-CE1 4.26Å; F267-F272 AromaticContact CG-CD1 3.84Å; F267-F272 HydrophobicContact CG-CD1 3.84Å; F267-F272 AromaticContact CG-CE1 3.79Å; F267-F272 HydrophobicContact CG-CE1 3.79Å; F267-L273 CarbonylContact C-O 3.59Å; F267-L273 VanDerWaalsContact CA-O 3.26Å; F267-L273 WeakPolarHBondContact CA-O 3.36Å; F267-V274 HydrophobicContact CD1-CG2 3.83Å; F267-V274 HydrophobicContact CE1-CG2 3.6Å; F267-I292 HydrophobicContact CE1-CG2 4.2Å; F267-I292 HydrophobicContact CE2-CG2 4.43Å; F267-I292 HydrophobicContact CZ-CB 4.44Å; F267-I292 HydrophobicContact CZ-CG2 3.62Å; F267-T331 CarbonylContact O-C 3.52Å; F267-T331 WeakPolarHBondContact O-CA 3.46Å; F267-T331 WeakPolarHBondContact O-CB 3.26Å; F267-Y332 PolarHBondContact N-O 2.63Å; F267-Y332 PolarHBondContact O-N 2.94Å; F267-M334 HydrophobicContact CE2-CB 3.76Å
268	E	93.3	Very high	93.7	Very high	9 Å²	9	29 Å²	29	4%	0.042	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	135.3	170.4	-170.4	-77.6	130.5	0	0	110.2	F113 A270 T271 F272 L273 I275	F113-E268 HydrophobicContact CD1-CG 4.15Å; F113-E268 HydrophobicContact CD2-CB 4.37Å; F113-E268 HydrophobicContact CD2-CG 3.75Å; F113-E268 HydrophobicContact CE1-CB 3.88Å; F113-E268 HydrophobicContact CE1-CG 3.9Å; F113-E268 HydrophobicContact CE2-CB 3.6Å; F113-E268 HydrophobicContact CE2-CG 3.5Å; F113-E268 VanDerWaalsContact CE2-CG 3.5Å; F113-E268 HydrophobicContact CG-CG 4.08Å; F113-E268 HydrophobicContact CZ-CB 3.31Å; F113-E268 HydrophobicContact CZ-CG 3.58Å; E268-A270 VanDerWaalsContact CD-N 3.27Å; E268-A270 PolarHBondContact O-N 3.07Å; E268-A270 WeakPolarHBondContact OE1-CB 3.5Å; E268-A270 PolarHBondContact OE1-N 3.39Å; E268-A270 PolarHBondContact OE2-N 3.15Å; E268-T271 VanDerWaalsContact OE2-CB 3.3Å; E268-T271 WeakPolarHBondContact OE2-CB 3.45Å; E268-T271 WeakPolarHBondContact OE2-CG2 3.31Å; E268-T271 PolarHBondContact OE2-N 3.31Å; E268-T271 PolarHBondContact OE2-OG1 3.47Å; E268-F272 WeakPolarHBondContact O-CA 3.23Å; E268-F272 PolarHBondContact O-N 3.06Å; E268-L273 PolarHBondContact N-O 2.86Å; E268-I275 HydrophobicContact CB-CD1 3.91Å; E268-I275 HydrophobicContact CB-CG1 4.2Å; E268-I275 VanDerWaalsContact N-CD1 3.29Å
269	R	92.6	Very high	93.7	Very high	105 Å²	105	26.7 Å²	26.7	40%	0.396	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-36.4	-165	-177.3	-179.3	179.3	-162	-1.6	114.8	K300 S329 N330 Y332	R269-K300 PolarHBondContact O-NZ 2.99Å; R269-S329 WeakPolarHBondContact CD-O 3.45Å; R269-S329 PolarHBondContact NH1-O 3.37Å; R269-N330 VanDerWaalsContact CB-C 3.44Å; R269-N330 VanDerWaalsContact CB-O 3.27Å; R269-N330 WeakPolarHBondContact CB-O 3.31Å; R269-N330 PolarHBondContact N-O 3.08Å; R269-Y332 HydrophobicContact CB-CD2 4.26Å; R269-Y332 HydrophobicContact CG-CD2 3.94Å; R269-Y332 HydrophobicContact CG-CE2 3.83Å
270	A	90.9	Very high	93.5	Very high	52 Å²	52	29.8 Å²	29.8	43%	0.43	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-54.4	-177.2	0	0	0	0	0	111.9	E268 K297 K300	E268-A270 VanDerWaalsContact CD-N 3.27Å; E268-A270 PolarHBondContact O-N 3.07Å; E268-A270 WeakPolarHBondContact OE1-CB 3.5Å; E268-A270 PolarHBondContact OE1-N 3.39Å; E268-A270 PolarHBondContact OE2-N 3.15Å; A270-K297 PolarHBondContact O-NZ 2.91Å; A270-K300 PolarHBondContact O-NZ 2.93Å
271	T	92.3	Very high	93	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.018	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-29.9	-174.2	61.7	0	0	0	0	113.4	I60 F61 F113 E268 L273	I60-T271 HydrophobicContact CG2-CG2 4.1Å; F61-T271 HydrophobicContact CD1-CG2 3.59Å; F61-T271 HydrophobicContact CE1-CG2 3.81Å; F113-T271 HydrophobicContact CE2-CG2 4.34Å; E268-T271 VanDerWaalsContact OE2-CB 3.3Å; E268-T271 WeakPolarHBondContact OE2-CB 3.45Å; E268-T271 WeakPolarHBondContact OE2-CG2 3.31Å; E268-T271 PolarHBondContact OE2-N 3.31Å; E268-T271 PolarHBondContact OE2-OG1 3.47Å; T271-L273 PolarHBondContact OG1-N 2.66Å
272	F	95.1	Very high	92.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.182	C	C	.	.			trans	63.5	19.9	-167.3	-117.3	-92.4	0	0	0	114.6	F267 E268 S293 I296 I324 Y332	F267-F272 HydrophobicContact CB-CD1 4.01Å; F267-F272 HydrophobicContact CB-CE1 4.09Å; F267-F272 HydrophobicContact CB-CG 4.42Å; F267-F272 AromaticContact CD1-CD1 3.85Å; F267-F272 HydrophobicContact CD1-CD1 3.85Å; F267-F272 HydrophobicContact CD1-CE1 4.16Å; F267-F272 WeakPolarHBondContact CD1-O 3.3Å; F267-F272 HydrophobicContact CD2-CD1 4.37Å; F267-F272 AromaticContact CD2-CE1 3.86Å; F267-F272 HydrophobicContact CD2-CE1 3.86Å; F267-F272 HydrophobicContact CE1-CD1 4.36Å; F267-F272 HydrophobicContact CE2-CE1 4.26Å; F267-F272 AromaticContact CG-CD1 3.84Å; F267-F272 HydrophobicContact CG-CD1 3.84Å; F267-F272 AromaticContact CG-CE1 3.79Å; F267-F272 HydrophobicContact CG-CE1 3.79Å; E268-F272 WeakPolarHBondContact O-CA 3.23Å; E268-F272 PolarHBondContact O-N 3.06Å; F272-S293 WeakPolarHBondContact O-CB 3.47Å; F272-S293 PolarHBondContact O-OG 2.84Å; F272-I296 HydrophobicContact CD1-CB 4Å; F272-I296 HydrophobicContact CD1-CG2 3.99Å; F272-I296 HydrophobicContact CD2-CG2 4.33Å; F272-I296 HydrophobicContact CE1-CB 3.76Å; F272-I296 HydrophobicContact CE1-CG1 4.29Å; F272-I296 HydrophobicContact CE1-CG2 3.45Å; F272-I296 VanDerWaalsContact CE1-CG2 3.45Å; F272-I296 HydrophobicContact CE2-CG2 3.82Å; F272-I296 HydrophobicContact CG-CG2 4.39Å; F272-I296 HydrophobicContact CZ-CB 4.21Å; F272-I296 HydrophobicContact CZ-CG2 3.36Å; F272-I324 HydrophobicContact CZ-CG2 4.39Å; F272-Y332 HydrophobicContact CD2-CD2 4.37Å; F272-Y332 HydrophobicContact CE2-CD1 4.14Å; F272-Y332 AromaticContact CE2-CD2 3.46Å; F272-Y332 HydrophobicContact CE2-CD2 3.46Å; F272-Y332 VanDerWaalsContact CE2-CD2 3.46Å; F272-Y332 HydrophobicContact CE2-CE1 4.48Å; F272-Y332 AromaticContact CE2-CE2 3.85Å; F272-Y332 HydrophobicContact CE2-CE2 3.85Å; F272-Y332 AromaticContact CE2-CG 3.62Å; F272-Y332 HydrophobicContact CE2-CG 3.62Å; F272-Y332 AromaticContact CZ-CD1 3.95Å; F272-Y332 HydrophobicContact CZ-CD1 3.95Å; F272-Y332 HydrophobicContact CZ-CD2 4.02Å; F272-Y332 AromaticContact CZ-CG 3.65Å; F272-Y332 HydrophobicContact CZ-CG 3.65Å
273	L	95	Very high	92.2	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	19%	0.194	C	C	.	.			trans	-66.5	145.8	168.7	-66.4	174.3	0	0	0	110.8	I60 F113 Y231 W234 S235 V238 F267 E268 T271	I60-L273 HydrophobicContact CD1-CD2 4.4Å; I60-L273 HydrophobicContact CG2-CD1 3.93Å; I60-L273 HydrophobicContact CG2-CD2 4.45Å; I60-L273 HydrophobicContact CG2-CG 4.31Å; F113-L273 HydrophobicContact CE2-CD1 4.19Å; F113-L273 HydrophobicContact CZ-CB 4.41Å; Y231-L273 HydrophobicContact CD1-CD2 4.03Å; W234-L273 HydrophobicContact CB-CD1 4.12Å; W234-L273 HydrophobicContact CB-CD2 3.81Å; S235-L273 WeakPolarHBondContact OG-CD2 3.39Å; V238-L273 HydrophobicContact CG2-CD1 4.07Å; F267-L273 CarbonylContact C-O 3.59Å; F267-L273 VanDerWaalsContact CA-O 3.26Å; F267-L273 WeakPolarHBondContact CA-O 3.36Å; E268-L273 PolarHBondContact N-O 2.86Å; T271-L273 PolarHBondContact OG1-N 2.66Å
274	V	94.7	Very high	91.8	Very high	18 Å²	18	51.2 Å²	51.2	11%	0.109	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	128.3	178.8	-179.1	0	0	0	0	108.8	S235 F267 F289	S235-V274 PolarHBondContact OG-N 3.43Å; F267-V274 HydrophobicContact CD1-CG2 3.83Å; F267-V274 HydrophobicContact CE1-CG2 3.6Å; V274-F289 HydrophobicContact CG2-CB 3.88Å
275	I	92.1	Very high	91.5	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	-46.3	178.1	-64.5	154.1	0	0	0	111.1	F113 L114 Y239 I242 L248 L266 E268 T331	F113-I275 HydrophobicContact CE1-CG1 4.24Å; F113-I275 HydrophobicContact CZ-CG1 4.47Å; L114-I275 HydrophobicContact CD1-CD1 4.23Å; L114-I275 HydrophobicContact CD1-CG1 4.3Å; L114-I275 HydrophobicContact CD1-CG2 4.12Å; L114-I275 HydrophobicContact CD2-CD1 3.58Å; L114-I275 HydrophobicContact CD2-CG1 4.49Å; L114-I275 HydrophobicContact CG-CD1 4.15Å; Y239-I275 WeakPolarHBondContact CD2-O 3.31Å; Y239-I275 WeakPolarHBondContact CE2-O 3.45Å; I242-I275 HydrophobicContact CD1-CB 4.45Å; I242-I275 HydrophobicContact CD1-CG1 4.39Å; I242-I275 HydrophobicContact CD1-CG2 3.84Å; L248-I275 HydrophobicContact CD2-CG2 3.42Å; L248-I275 VanDerWaalsContact CD2-CG2 3.42Å; L266-I275 HydrophobicContact CD2-CB 4.42Å; L266-I275 HydrophobicContact CD2-CD1 4.37Å; L266-I275 HydrophobicContact CD2-CG2 4.23Å; L266-I275 HydrophobicContact CG-CD1 4.17Å; L266-I275 PolarHBondContact O-N 2.77Å; E268-I275 HydrophobicContact CB-CD1 3.91Å; E268-I275 HydrophobicContact CB-CG1 4.2Å; E268-I275 VanDerWaalsContact N-CD1 3.29Å; I275-T331 HydrophobicContact CD1-CG2 3.77Å
276	S	92.1	Very high	91.2	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.007	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	151.8	-170.7	-178.2	0	0	0	0	108.3	L252 L266	L252-S276 WeakPolarHBondContact CD2-OG 3.38Å; L266-S276 PolarHBondContact N-O 2.77Å; L266-S276 PolarHBondContact O-N 3.18Å
277	H	93.8	Very high	91	Very high	72 Å²	72	60.5 Å²	60.5	33%	0.333	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	158.7	175.3	66.8	-73.8	0	0	0	111.2	V264 L265 F289	V264-H277 CarbonylContact O-C 3.21Å; V264-H277 VanDerWaalsContact O-CA 3.26Å; V264-H277 WeakPolarHBondContact O-CA 3.48Å; L265-H277 HydrophobicContact CD2-CB 3.56Å; H277-F289 HydrophobicContact CB-CE1 4.02Å; H277-F289 AromaticContact CD2-CE1 3.73Å; H277-F289 AromaticContact CD2-CZ 3.51Å; H277-F289 AromaticContact CG-CE1 3.87Å; H277-F289 AromaticContact CG-CZ 3.98Å; H277-F289 AromaticContact NE2-CZ 3.76Å
278	Y	94.6	Very high	91	Very high	38 Å²	38	61.9 Å²	61.9	15%	0.149	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	139.6	165.3	168.8	-90.3	0	0	0	108	R253 A256 E263 V264 C280	R253-Y278 HydrophobicContact CB-CD2 3.85Å; R253-Y278 HydrophobicContact CB-CE2 4.3Å; R253-Y278 HydrophobicContact CG-CD2 3.78Å; R253-Y278 HydrophobicContact CG-CE2 3.7Å; A256-Y278 HydrophobicContact CB-CD1 3.17Å; A256-Y278 HydrophobicContact CB-CD2 4.47Å; A256-Y278 HydrophobicContact CB-CE1 3.56Å; A256-Y278 HydrophobicContact CB-CG 3.68Å; E263-Y278 CarbonylContact C-O 3.6Å; E263-Y278 VanDerWaalsContact CA-O 3.31Å; E263-Y278 WeakPolarHBondContact CA-O 3.44Å; V264-Y278 PolarHBondContact N-O 2.91Å; V264-Y278 PolarHBondContact O-N 2.7Å; Y278-C280 HydrophobicContact CE1-CB 3.97Å
279	Q	93.1	Very high	91	Very high	72 Å²	72	62.9 Å²	62.9	34%	0.336	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	127.8	173.6	60.8	-176.2	6.6	0	0	108.8
280	C	87.4	Confident	91.1	Very high	73 Å²	73	58.2 Å²	58.2	49%	0.493	29%	0.287	S	S	.	.	S	Bend	trans	-79.8	-35.3	174.7	179	0	0	0	0	111	D262 Y278	D262-C280 WeakPolarHBondContact O-CB 3.35Å; D262-C280 PolarHBondContact O-N 3.17Å; Y278-C280 HydrophobicContact CE1-CB 3.97Å
281	K	80.5	Confident	91.3	Very high	116 Å²	116	58.9 Å²	58.9	50%	0.504	28%	0.28	S	S	.	.	S	Bend	trans	-126.6	142.3	177.6	-62.7	168.8	-166.4	133.1	0	109.6	D262 Q283	D262-K281 IonicContact OD1-NZ 3.52Å; D262-K281 PolarHBondContact OD1-NZ 3.34Å; K281-Q283 PolarHBondContact O-N 3.16Å
282	E	83.3	Confident	91.5	Very high	179 Å²	179	60.3 Å²	60.3	84%	0.836	29%	0.287	S	S	*	.			trans	-67.3	128.4	173.4	-170.9	167.2	-155	0	0	110.2
283	Q	86.5	Confident	91.5	Very high	74 Å²	74	60.3 Å²	60.3	35%	0.346	29%	0.287	S	S	.	.			trans	-95.8	150.5	-176.1	-61.7	-66.8	-11.4	0	0	111.2	K281 D285	K281-Q283 PolarHBondContact O-N 3.16Å; Q283-D285 PolarHBondContact O-N 3.09Å
284	R	86.1	Confident	91.5	Very high	259 Å²	259	61.7 Å²	61.7	98%	0.977	29%	0.294	S	S	*	.	S	Bend	trans	-61	-28.8	-177.3	-62.3	-178	-177.3	178.6	0.6	114.4
285	D	91.1	Very high	91.5	Very high	55 Å²	55	66.1 Å²	66.1	29%	0.294	32%	0.316	S	S	.	.			trans	-108.8	107.4	-178	-172.1	1.3	0	0	0	110.8	Q283 H287 R288 K291	Q283-D285 PolarHBondContact O-N 3.09Å; D285-H287 PolarHBondContact O-N 2.96Å; D285-H287 WeakPolarHBondContact OD1-CA 3.46Å; D285-H287 WeakPolarHBondContact OD1-CB 3.33Å; D285-H287 PolarHBondContact OD1-N 3.49Å; D285-R288 HydrophobicContact CB-CB 4.27Å; D285-R288 WeakPolarHBondContact O-CD 3.35Å; D285-R288 WeakPolarHBondContact O-CG 3.15Å; D285-R288 PolarHBondContact O-NH1 3.18Å; D285-K291 IonicContact OD1-NZ 3.18Å; D285-K291 PolarHBondContact OD1-NZ 2.53Å; D285-K291 WeakPolarHBondContact OD2-CD 3.28Å; D285-K291 IonicContact OD2-NZ 3.98Å; D285-K291 PolarHBondContact OD2-NZ 2.92Å
286	A	90.1	Very high	91.7	Very high	65 Å²	65	66.6 Å²	66.6	54%	0.537	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-12.5	174.8	0	0	0	0	0	113.4
287	H	91.1	Very high	91.8	Very high	78 Å²	78	66.6 Å²	66.6	36%	0.361	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	5.5	-179.5	-64.4	-79.8	0	0	0	113.6	K232 D285 F289 E290 K291	K232-H287 PolarHBondContact NZ-CE1 3.48Å; K232-H287 PolarHBondContact NZ-ND1 2.84Å; K232-H287 VanDerWaalsContact NZ-ND1 3.17Å; D285-H287 PolarHBondContact O-N 2.96Å; D285-H287 WeakPolarHBondContact OD1-CA 3.46Å; D285-H287 WeakPolarHBondContact OD1-CB 3.33Å; D285-H287 PolarHBondContact OD1-N 3.49Å; H287-F289 PolarHBondContact O-N 2.78Å; H287-E290 VanDerWaalsContact CA-CD 3.48Å; H287-E290 WeakPolarHBondContact CA-OE1 3.43Å; H287-E290 WeakPolarHBondContact CA-OE2 3.39Å; H287-E290 HydrophobicContact CB-CG 4.43Å; H287-E290 IonicContact CE1-OE1 3.09Å; H287-E290 IonicContact CG-OE1 2.67Å; H287-E290 IonicContact ND1-OE1 2.63Å; H287-E290 PolarHBondContact ND1-OE1 3.42Å; H287-E290 VanDerWaalsContact O-CD 3.32Å; H287-E290 WeakPolarHBondContact O-CG 3.46Å; H287-K291 HydrophobicContact CB-CD 4.48Å; H287-K291 VanDerWaalsContact O-CG 3.3Å; H287-K291 WeakPolarHBondContact O-CG 3.31Å; H287-K291 PolarHBondContact O-N 3.17Å
288	R	94.4	Very high	91.7	Very high	28 Å²	28	66.5 Å²	66.5	11%	0.106	32%	0.318	C	S	.	.	H	α-helix	trans	-60.1	-32.7	-176.6	69.5	-169.8	-177.9	-78	-0.4	113.4	E263 D285 K291 I292	E263-R288 IonicContact OE1-CZ 3.81Å; E263-R288 IonicContact OE1-NE 2.7Å; E263-R288 PolarHBondContact OE1-NE 3.43Å; E263-R288 IonicContact OE1-NH2 2.71Å; E263-R288 PolarHBondContact OE1-NH2 3.04Å; E263-R288 IonicContact OE2-CZ 3.31Å; E263-R288 IonicContact OE2-NE 3.89Å; E263-R288 PolarHBondContact OE2-NE 3.43Å; E263-R288 IonicContact OE2-NH2 2.66Å; D285-R288 HydrophobicContact CB-CB 4.27Å; D285-R288 WeakPolarHBondContact O-CD 3.35Å; D285-R288 WeakPolarHBondContact O-CG 3.15Å; D285-R288 PolarHBondContact O-NH1 3.18Å; R288-K291 PolarHBondContact O-N 3.31Å; R288-I292 WeakPolarHBondContact O-CB 3.22Å; R288-I292 WeakPolarHBondContact O-CD1 3.08Å; R288-I292 WeakPolarHBondContact O-CG1 3.48Å; R288-I292 PolarHBondContact O-N 3.07Å
289	F	94.6	Very high	91.8	Very high	31 Å²	31	69 Å²	69	14%	0.136	33%	0.33	C	S	.	.	H	α-helix	trans	-64.1	-53.1	-176.2	-47.9	-71.6	0	0	0	111.1	E263 L265 V274 H277 H287 K291 I292 S293	E263-F289 VanDerWaalsContact OE1-CE1 3.25Å; E263-F289 WeakPolarHBondContact OE1-CE1 3.31Å; L265-F289 HydrophobicContact CD1-CD1 4.17Å; L265-F289 HydrophobicContact CD2-CD1 3.55Å; L265-F289 HydrophobicContact CD2-CE1 3.55Å; V274-F289 HydrophobicContact CG2-CB 3.88Å; H277-F289 HydrophobicContact CB-CE1 4.02Å; H277-F289 AromaticContact CD2-CE1 3.73Å; H277-F289 AromaticContact CD2-CZ 3.51Å; H277-F289 AromaticContact CG-CE1 3.87Å; H277-F289 AromaticContact CG-CZ 3.98Å; H277-F289 AromaticContact NE2-CZ 3.76Å; H287-F289 PolarHBondContact O-N 2.78Å; F289-K291 VanDerWaalsContact C-N 3.34Å; F289-K291 PolarHBondContact O-N 2.62Å; F289-I292 PolarHBondContact O-N 2.82Å; F289-S293 PolarHBondContact O-N 2.85Å; F289-S293 PolarHBondContact O-OG 2.88Å
290	E	94	Very high	91.8	Very high	7 Å²	7	67.5 Å²	67.5	3%	0.033	32%	0.322	C	S	.	.	H	α-helix	trans	-67.9	-32	178.6	59.5	-95.3	-134.5	0	0	112.6	E228 K232 H287 S293 N294	E228-E290 HydrophobicContact CB-CB 3.98Å; E228-E290 HydrophobicContact CB-CG 3.73Å; E228-E290 HydrophobicContact CG-CB 4.4Å; E228-E290 HydrophobicContact CG-CG 3.58Å; K232-E290 HydrophobicContact CB-CB 4.03Å; K232-E290 HydrophobicContact CB-CG 3.96Å; K232-E290 WeakPolarHBondContact CD-OE1 3.31Å; K232-E290 HydrophobicContact CG-CG 4.47Å; K232-E290 VanDerWaalsContact CG-OE1 3.28Å; K232-E290 WeakPolarHBondContact CG-OE1 3.47Å; K232-E290 IonicContact NZ-OE1 2.74Å; K232-E290 PolarHBondContact NZ-OE1 3.45Å; H287-E290 VanDerWaalsContact CA-CD 3.48Å; H287-E290 WeakPolarHBondContact CA-OE1 3.43Å; H287-E290 WeakPolarHBondContact CA-OE2 3.39Å; H287-E290 HydrophobicContact CB-CG 4.43Å; H287-E290 IonicContact CE1-OE1 3.09Å; H287-E290 IonicContact CG-OE1 2.67Å; H287-E290 IonicContact ND1-OE1 2.63Å; H287-E290 PolarHBondContact ND1-OE1 3.42Å; H287-E290 VanDerWaalsContact O-CD 3.32Å; H287-E290 WeakPolarHBondContact O-CG 3.46Å; E290-S293 WeakPolarHBondContact O-CB 3.39Å; E290-S293 PolarHBondContact O-N 3.08Å; E290-N294 WeakPolarHBondContact O-CB 3.48Å; E290-N294 PolarHBondContact O-N 2.73Å
291	K	95.8	Very high	91.9	Very high	66 Å²	66	64.8 Å²	64.8	29%	0.287	30%	0.303	S	S	.	.	H	α-helix	trans	-62.4	-47.3	170.9	-71.4	170.5	-173.6	171.1	0	111.7	E228 D285 H287 R288 F289 N294 I295	E228-K291 HydrophobicContact CB-CG 4.21Å; E228-K291 HydrophobicContact CG-CG 3.82Å; E228-K291 WeakPolarHBondContact OE1-CE 3.39Å; E228-K291 WeakPolarHBondContact OE1-CG 3.23Å; D285-K291 IonicContact OD1-NZ 3.18Å; D285-K291 PolarHBondContact OD1-NZ 2.53Å; D285-K291 WeakPolarHBondContact OD2-CD 3.28Å; D285-K291 IonicContact OD2-NZ 3.98Å; D285-K291 PolarHBondContact OD2-NZ 2.92Å; H287-K291 HydrophobicContact CB-CD 4.48Å; H287-K291 VanDerWaalsContact O-CG 3.3Å; H287-K291 WeakPolarHBondContact O-CG 3.31Å; H287-K291 PolarHBondContact O-N 3.17Å; R288-K291 PolarHBondContact O-N 3.31Å; F289-K291 VanDerWaalsContact C-N 3.34Å; F289-K291 PolarHBondContact O-N 2.62Å; K291-N294 PolarHBondContact O-N 3.27Å; K291-I295 WeakPolarHBondContact O-CB 3.22Å; K291-I295 WeakPolarHBondContact O-CD1 3.16Å; K291-I295 VanDerWaalsContact O-CG1 3.24Å; K291-I295 WeakPolarHBondContact O-CG1 3.04Å; K291-I295 PolarHBondContact O-N 2.85Å
292	I	96.2	Very high	92.6	Very high	32 Å²	32	62.2 Å²	62.2	16%	0.164	30%	0.299	C	S	.	.	H	α-helix	trans	-61.1	-46.2	176.5	-69.3	161	0	0	0	110.3	L265 F267 R288 F289 N294 I295 I296 M334	L265-I292 HydrophobicContact CD1-CD1 3.79Å; F267-I292 HydrophobicContact CE1-CG2 4.2Å; F267-I292 HydrophobicContact CE2-CG2 4.43Å; F267-I292 HydrophobicContact CZ-CB 4.44Å; F267-I292 HydrophobicContact CZ-CG2 3.62Å; R288-I292 WeakPolarHBondContact O-CB 3.22Å; R288-I292 WeakPolarHBondContact O-CD1 3.08Å; R288-I292 WeakPolarHBondContact O-CG1 3.48Å; R288-I292 PolarHBondContact O-N 3.07Å; F289-I292 PolarHBondContact O-N 2.82Å; I292-N294 VanDerWaalsContact C-N 3.35Å; I292-N294 PolarHBondContact O-N 2.76Å; I292-I295 PolarHBondContact O-N 2.91Å; I292-I296 HydrophobicContact CG2-CG1 4.15Å; I292-I296 WeakPolarHBondContact O-CB 3.48Å; I292-I296 WeakPolarHBondContact O-CG1 3.45Å; I292-I296 PolarHBondContact O-N 2.9Å; I292-M334 HydrophobicContact CD1-CE 3.96Å; I292-M334 HydrophobicContact CD1-SD 4.04Å; I292-M334 HydrophobicContact CG2-SD 3.78Å
293	S	95.8	Very high	93	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-53.3	-49.6	174.3	-72.4	0	0	0	0	112.4	F272 F289 E290 K297	F272-S293 WeakPolarHBondContact O-CB 3.47Å; F272-S293 PolarHBondContact O-OG 2.84Å; F289-S293 PolarHBondContact O-N 2.85Å; F289-S293 PolarHBondContact O-OG 2.88Å; E290-S293 WeakPolarHBondContact O-CB 3.39Å; E290-S293 PolarHBondContact O-N 3.08Å; S293-K297 WeakPolarHBondContact O-CB 3.39Å; S293-K297 PolarHBondContact O-N 3.08Å
294	N	94.3	Very high	93.2	Very high	30 Å²	30	54.4 Å²	54.4	16%	0.16	27%	0.272	C	S	.	.	H	α-helix	trans	-64.5	-50.4	179.6	-168	14.5	0	0	0	111.4	E228 Y231 E290 K291 I292 I296 K297 Q298	E228-N294 HydrophobicContact CB-CB 4.49Å; Y231-N294 HydrophobicContact CD2-CB 3.95Å; Y231-N294 HydrophobicContact CE2-CB 3.88Å; E290-N294 WeakPolarHBondContact O-CB 3.48Å; E290-N294 PolarHBondContact O-N 2.73Å; K291-N294 PolarHBondContact O-N 3.27Å; I292-N294 VanDerWaalsContact C-N 3.35Å; I292-N294 PolarHBondContact O-N 2.76Å; N294-I296 PolarHBondContact O-N 3Å; N294-K297 PolarHBondContact O-N 2.79Å; N294-Q298 WeakPolarHBondContact O-CG 3.2Å; N294-Q298 PolarHBondContact O-N 3.4Å; N294-Q298 PolarHBondContact OD1-NE2 2.8Å
295	I	95.9	Very high	93.4	Very high	112 Å²	112	49.7 Å²	49.7	57%	0.574	26%	0.259	S	S	*	.	H	α-helix	trans	-56.9	-51.1	-179.4	-69.4	164.4	0	0	0	111.3	K291 I292 K297 Q298 F299	K291-I295 WeakPolarHBondContact O-CB 3.22Å; K291-I295 WeakPolarHBondContact O-CD1 3.16Å; K291-I295 VanDerWaalsContact O-CG1 3.24Å; K291-I295 WeakPolarHBondContact O-CG1 3.04Å; K291-I295 PolarHBondContact O-N 2.85Å; I292-I295 PolarHBondContact O-N 2.91Å; I295-K297 PolarHBondContact O-N 3.37Å; I295-Q298 PolarHBondContact O-N 3.3Å; I295-F299 PolarHBondContact O-N 3.42Å
296	I	95.9	Very high	93.4	Very high	11 Å²	11	53.9 Å²	53.9	6%	0.056	28%	0.281	C	S	.	.	H	α-helix	trans	-71.1	-32.7	-177.4	-57.8	-63.1	0	0	0	111.3	F272 I292 N294 F299 K300 F310 M313 I324	F272-I296 HydrophobicContact CD1-CB 4Å; F272-I296 HydrophobicContact CD1-CG2 3.99Å; F272-I296 HydrophobicContact CD2-CG2 4.33Å; F272-I296 HydrophobicContact CE1-CB 3.76Å; F272-I296 HydrophobicContact CE1-CG1 4.29Å; F272-I296 HydrophobicContact CE1-CG2 3.45Å; F272-I296 VanDerWaalsContact CE1-CG2 3.45Å; F272-I296 HydrophobicContact CE2-CG2 3.82Å; F272-I296 HydrophobicContact CG-CG2 4.39Å; F272-I296 HydrophobicContact CZ-CB 4.21Å; F272-I296 HydrophobicContact CZ-CG2 3.36Å; I292-I296 HydrophobicContact CG2-CG1 4.15Å; I292-I296 WeakPolarHBondContact O-CB 3.48Å; I292-I296 WeakPolarHBondContact O-CG1 3.45Å; I292-I296 PolarHBondContact O-N 2.9Å; N294-I296 PolarHBondContact O-N 3Å; I296-F299 PolarHBondContact O-N 3.27Å; I296-K300 VanDerWaalsContact O-CB 3.26Å; I296-K300 WeakPolarHBondContact O-CB 3.24Å; I296-K300 PolarHBondContact O-N 3.43Å; I296-F310 HydrophobicContact CG2-CD1 4.33Å; I296-F310 HydrophobicContact CG2-CE1 3.92Å; I296-M313 HydrophobicContact CD1-CE 4.39Å; I296-M313 HydrophobicContact CD1-SD 4.43Å; I296-I324 HydrophobicContact CD1-CD1 3.53Å; I296-I324 HydrophobicContact CG1-CD1 3.9Å
297	K	93.5	Very high	93.5	Very high	1 Å²	1	55.7 Å²	55.7	0%	0.004	30%	0.296	C	S	.	.	H	α-helix	trans	-61.8	-49.9	170.5	-175.1	73.7	152.3	-175.6	0	110.9	I60 N63 Y231 A270 S293 N294 I295 F299 K300 L301	I60-K297 PolarHBondContact O-NZ 2.95Å; N63-K297 PolarHBondContact OD1-NZ 3.47Å; Y231-K297 HydrophobicContact CE1-CB 4.47Å; Y231-K297 HydrophobicContact CE1-CG 4.46Å; Y231-K297 WeakPolarHBondContact OH-CG 3.48Å; A270-K297 PolarHBondContact O-NZ 2.91Å; S293-K297 WeakPolarHBondContact O-CB 3.39Å; S293-K297 PolarHBondContact O-N 3.08Å; N294-K297 PolarHBondContact O-N 2.79Å; I295-K297 PolarHBondContact O-N 3.37Å; K297-F299 VanDerWaalsContact C-N 3.3Å; K297-F299 PolarHBondContact O-N 2.87Å; K297-K300 PolarHBondContact O-N 2.84Å; K297-L301 HydrophobicContact CG-CD1 4.43Å; K297-L301 VanDerWaalsContact O-CG 3.29Å; K297-L301 WeakPolarHBondContact O-CG 3.36Å; K297-L301 PolarHBondContact O-N 2.93Å
298	Q	92.4	Very high	93.5	Very high	70 Å²	70	54.4 Å²	54.4	33%	0.327	30%	0.298	S	S	.	.	H	α-helix	trans	-60.3	-39	177.2	-63.5	-53.8	-29.7	0	0	112.3	N294 I295 L301 S302	N294-Q298 WeakPolarHBondContact O-CG 3.2Å; N294-Q298 PolarHBondContact O-N 3.4Å; N294-Q298 PolarHBondContact OD1-NE2 2.8Å; I295-Q298 PolarHBondContact O-N 3.3Å; Q298-L301 PolarHBondContact O-N 3.4Å; Q298-S302 PolarHBondContact O-N 2.87Å; Q298-S302 PolarHBondContact O-OG 3.41Å
299	F	95.3	Very high	93.3	Very high	91 Å²	91	58.2 Å²	58.2	40%	0.399	33%	0.33	S	S	.	.	H	α-helix	trans	-62.3	-48.3	173.9	-175.3	-109	0	0	0	111.7	I295 I296 K297 L301 S302 C303 F310 M313	I295-F299 PolarHBondContact O-N 3.42Å; I296-F299 PolarHBondContact O-N 3.27Å; K297-F299 VanDerWaalsContact C-N 3.3Å; K297-F299 PolarHBondContact O-N 2.87Å; F299-L301 VanDerWaalsContact C-N 3.33Å; F299-L301 PolarHBondContact O-N 3.48Å; F299-S302 CarbonylContact O-C 3.15Å; F299-S302 WeakPolarHBondContact O-CA 3.5Å; F299-S302 VanDerWaalsContact O-CB 3.29Å; F299-S302 WeakPolarHBondContact O-CB 3.16Å; F299-S302 PolarHBondContact O-N 3.18Å; F299-C303 PolarHBondContact O-N 3.08Å; F299-C303 PolarHBondContact O-SG 2.85Å; F299-C303 VanDerWaalsContact O-SG 3.35Å; F299-F310 AromaticContact CD1-CD2 3.96Å; F299-F310 HydrophobicContact CD1-CD2 3.96Å; F299-F310 HydrophobicContact CD1-CE2 4.15Å; F299-F310 HydrophobicContact CD1-CG 4.48Å; F299-F310 AromaticContact CE1-CD2 3.63Å; F299-F310 HydrophobicContact CE1-CD2 3.63Å; F299-F310 AromaticContact CE1-CE2 3.81Å; F299-F310 HydrophobicContact CE1-CE2 3.81Å; F299-M313 HydrophobicContact CD1-CE 3.63Å; F299-M313 HydrophobicContact CE1-CE 3.42Å; F299-M313 VanDerWaalsContact CE1-CE 3.42Å; F299-M313 HydrophobicContact CE2-CE 4.5Å; F299-M313 HydrophobicContact CG-CE 4.26Å; F299-M313 HydrophobicContact CZ-CE 3.9Å
300	K	92.9	Very high	93.3	Very high	39 Å²	39	57.5 Å²	57.5	17%	0.17	33%	0.326	C	S	.	.	H	α-helix	trans	-61.1	-37.8	177	-175.6	-176.7	174.5	-162.5	0	112.7	R269 A270 I296 K297 S302 C303 S304 F310	R269-K300 PolarHBondContact O-NZ 2.99Å; A270-K300 PolarHBondContact O-NZ 2.93Å; I296-K300 VanDerWaalsContact O-CB 3.26Å; I296-K300 WeakPolarHBondContact O-CB 3.24Å; I296-K300 PolarHBondContact O-N 3.43Å; K297-K300 PolarHBondContact O-N 2.84Å; K300-S302 VanDerWaalsContact C-N 3.3Å; K300-C303 PolarHBondContact O-N 2.96Å; K300-S304 WeakPolarHBondContact O-CB 3.2Å; K300-S304 PolarHBondContact O-N 3Å; K300-S304 PolarHBondContact O-OG 2.8Å; K300-F310 HydrophobicContact CB-CB 4.37Å; K300-F310 HydrophobicContact CG-CB 4.16Å
301	L	91.1	Very high	93.2	Very high	17 Å²	17	63.1 Å²	63.1	9%	0.089	35%	0.353	C	S	.	.	H	α-helix	trans	-64.7	-35.2	172.1	-65.6	178.3	0	0	0	111.8	N63 I65 K297 Q298 F299 S304 K305	N63-L301 HydrophobicContact CB-CD2 3.59Å; N63-L301 WeakPolarHBondContact O-CD2 3.36Å; I65-L301 HydrophobicContact CG2-CD1 3.67Å; K297-L301 HydrophobicContact CG-CD1 4.43Å; K297-L301 VanDerWaalsContact O-CG 3.29Å; K297-L301 WeakPolarHBondContact O-CG 3.36Å; K297-L301 PolarHBondContact O-N 2.93Å; Q298-L301 PolarHBondContact O-N 3.4Å; F299-L301 VanDerWaalsContact C-N 3.33Å; F299-L301 PolarHBondContact O-N 3.48Å; L301-S304 PolarHBondContact O-N 3.12Å; L301-K305 PolarHBondContact O-N 3.24Å
302	S	93.6	Very high	93.2	Very high	61 Å²	61	63.3 Å²	63.3	43%	0.427	36%	0.362	S	S	.	.	H	α-helix	trans	-70.1	-43.3	175.8	-55.7	0	0	0	0	111.9	Q298 F299 K300 S304 K305	Q298-S302 PolarHBondContact O-N 2.87Å; Q298-S302 PolarHBondContact O-OG 3.41Å; F299-S302 CarbonylContact O-C 3.15Å; F299-S302 WeakPolarHBondContact O-CA 3.5Å; F299-S302 VanDerWaalsContact O-CB 3.29Å; F299-S302 WeakPolarHBondContact O-CB 3.16Å; F299-S302 PolarHBondContact O-N 3.18Å; K300-S302 VanDerWaalsContact C-N 3.3Å; S302-S304 VanDerWaalsContact C-N 3.29Å; S302-S304 PolarHBondContact O-N 3.2Å; S302-K305 PolarHBondContact O-N 3.03Å
303	C	93.4	Very high	93.1	Very high	20 Å²	20	64.3 Å²	64.3	14%	0.135	37%	0.367	C	S	.	.	H	α-helix	trans	-58.2	-40.7	170.7	-59	0	0	0	0	112.1	F299 K300 K305 L306 A307 A308	F299-C303 PolarHBondContact O-N 3.08Å; F299-C303 PolarHBondContact O-SG 2.85Å; F299-C303 VanDerWaalsContact O-SG 3.35Å; K300-C303 PolarHBondContact O-N 2.96Å; C303-K305 PolarHBondContact O-N 3.29Å; C303-L306 CarbonylContact O-C 3.55Å; C303-L306 WeakPolarHBondContact O-CA 3.48Å; C303-L306 WeakPolarHBondContact O-CB 3.42Å; C303-L306 PolarHBondContact O-N 3.16Å; C303-A307 PolarHBondContact O-N 3.34Å; C303-A308 CarbonylContact C-O 3.46Å; C303-A308 WeakPolarHBondContact CB-O 3.45Å; C303-A308 PolarHBondContact O-N 3.12Å; C303-A308 VanDerWaalsContact O-O 3.05Å
304	S	89.8	Confident	93.1	Very high	69 Å²	69	68.7 Å²	68.7	48%	0.483	39%	0.387	S	S	.	.	H	α-helix	trans	-61.8	-31.6	-179.1	-55.3	0	0	0	0	112.6	K300 L301 S302 L306 A307	K300-S304 WeakPolarHBondContact O-CB 3.2Å; K300-S304 PolarHBondContact O-N 3Å; K300-S304 PolarHBondContact O-OG 2.8Å; L301-S304 PolarHBondContact O-N 3.12Å; S302-S304 VanDerWaalsContact C-N 3.29Å; S302-S304 PolarHBondContact O-N 3.2Å; S304-L306 PolarHBondContact O-N 3.02Å; S304-A307 PolarHBondContact O-N 3.08Å; S304-A307 VanDerWaalsContact O-N 3.12Å
305	K	89.9	Confident	93	Very high	160 Å²	160	70.5 Å²	70.5	70%	0.696	40%	0.4	S	S	*	.	H	α-helix	trans	-68.8	-20.8	173.3	-67.5	171.2	-178.2	174.3	0	113.3	L301 S302 C303 A307	L301-K305 PolarHBondContact O-N 3.24Å; S302-K305 PolarHBondContact O-N 3.03Å; C303-K305 PolarHBondContact O-N 3.29Å; K305-A307 VanDerWaalsContact C-N 3.29Å
306	L	92.3	Very high	92.8	Very high	143 Å²	143	70.5 Å²	70.5	75%	0.749	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	11.4	173.2	-54.2	175.6	0	0	0	112.2	C303 S304 A308	C303-L306 CarbonylContact O-C 3.55Å; C303-L306 WeakPolarHBondContact O-CA 3.48Å; C303-L306 WeakPolarHBondContact O-CB 3.42Å; C303-L306 PolarHBondContact O-N 3.16Å; S304-L306 PolarHBondContact O-N 3.02Å; L306-A308 PolarHBondContact O-N 3.42Å; L306-A308 VanDerWaalsContact O-N 3.16Å
307	A	91.8	Very high	92.6	Very high	103 Å²	103	73.5 Å²	73.5	85%	0.851	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	22.6	-173.1	0	0	0	0	0	114.7	C303 S304 K305	C303-A307 PolarHBondContact O-N 3.34Å; S304-A307 PolarHBondContact O-N 3.08Å; S304-A307 VanDerWaalsContact O-N 3.12Å; K305-A307 VanDerWaalsContact C-N 3.29Å
308	A	91.8	Very high	92.3	Very high	51 Å²	51	78.7 Å²	78.7	42%	0.421	45%	0.445	S	S	.	.			trans	-114.1	138	179.6	0	0	0	0	0	111.5	C303 L306	C303-A308 CarbonylContact C-O 3.46Å; C303-A308 WeakPolarHBondContact CB-O 3.45Å; C303-A308 PolarHBondContact O-N 3.12Å; C303-A308 VanDerWaalsContact O-O 3.05Å; L306-A308 PolarHBondContact O-N 3.42Å; L306-A308 VanDerWaalsContact O-N 3.16Å
309	S	90.2	Very high	92.2	Very high	109 Å²	109	80.9 Å²	80.9	76%	0.762	46%	0.459	S	S	*	.			trans	-85.6	132.6	170.9	54	0	0	0	0	111.2
310	F	93.6	Very high	92	Very high	15 Å²	15	80.2 Å²	80.2	7%	0.066	46%	0.456	C	S	.	.			trans	-56.1	139.9	162.6	-177.4	-121.6	0	0	0	109.9	I296 F299 K300 S312 M313 I324 Y332	I296-F310 HydrophobicContact CG2-CD1 4.33Å; I296-F310 HydrophobicContact CG2-CE1 3.92Å; F299-F310 AromaticContact CD1-CD2 3.96Å; F299-F310 HydrophobicContact CD1-CD2 3.96Å; F299-F310 HydrophobicContact CD1-CE2 4.15Å; F299-F310 HydrophobicContact CD1-CG 4.48Å; F299-F310 AromaticContact CE1-CD2 3.63Å; F299-F310 HydrophobicContact CE1-CD2 3.63Å; F299-F310 AromaticContact CE1-CE2 3.81Å; F299-F310 HydrophobicContact CE1-CE2 3.81Å; K300-F310 HydrophobicContact CB-CB 4.37Å; K300-F310 HydrophobicContact CG-CB 4.16Å; F310-S312 VanDerWaalsContact CE2-O 3.25Å; F310-S312 WeakPolarHBondContact CE2-O 3.44Å; F310-M313 HydrophobicContact CE2-CB 3.88Å; F310-M313 HydrophobicContact CE2-CE 3.99Å; F310-M313 HydrophobicContact CZ-CB 3.79Å; F310-M313 HydrophobicContact CZ-CE 4.29Å; F310-I324 HydrophobicContact CE1-CG2 3.88Å; F310-I324 HydrophobicContact CZ-CB 4.44Å; F310-I324 HydrophobicContact CZ-CG2 4.01Å; F310-Y332 VanDerWaalsContact C-OH 3.27Å; F310-Y332 AromaticContact CD1-CE1 3.76Å; F310-Y332 HydrophobicContact CD1-CE1 3.76Å; F310-Y332 AromaticContact CD1-CZ 3.71Å; F310-Y332 WeakPolarHBondContact CD1-OH 3.29Å; F310-Y332 HydrophobicContact CE1-CD1 4.3Å; F310-Y332 AromaticContact CE1-CE1 3.57Å; F310-Y332 HydrophobicContact CE1-CE1 3.57Å; F310-Y332 PolarHBondContact O-OH 3.35Å
311	Q	92.4	Very high	92	Very high	126 Å²	126	78.6 Å²	78.6	59%	0.589	45%	0.449	S	S	*	.			trans	-130.1	-55.1	-179.8	178.2	175.6	-5	0	0	111.2	I326 Y332	Q311-I326 HydrophobicContact CG-CD1 4.18Å; Q311-I326 PolarHBondContact O-N 3.2Å; Q311-Y332 WeakPolarHBondContact O-CE1 3.41Å
312	S	94.7	Very high	92.2	Very high	70 Å²	70	78 Å²	78	49%	0.49	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	163.7	178.7	60.8	0	0	0	0	112.5	F310 I324	F310-S312 VanDerWaalsContact CE2-O 3.25Å; F310-S312 WeakPolarHBondContact CE2-O 3.44Å; S312-I324 CarbonylContact C-O 3.49Å; S312-I324 WeakPolarHBondContact CA-O 3.41Å; S312-I324 VanDerWaalsContact CB-O 3.25Å; S312-I324 WeakPolarHBondContact CB-O 3.44Å
313	M	95	Very high	92.4	Very high	52 Å²	52	75.3 Å²	75.3	26%	0.256	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	135	176.2	-172.3	-178.7	-69.2	0	0	109.6	I296 F299 F310 V315 I324	I296-M313 HydrophobicContact CD1-CE 4.39Å; I296-M313 HydrophobicContact CD1-SD 4.43Å; F299-M313 HydrophobicContact CD1-CE 3.63Å; F299-M313 HydrophobicContact CE1-CE 3.42Å; F299-M313 VanDerWaalsContact CE1-CE 3.42Å; F299-M313 HydrophobicContact CE2-CE 4.5Å; F299-M313 HydrophobicContact CG-CE 4.26Å; F299-M313 HydrophobicContact CZ-CE 3.9Å; F310-M313 HydrophobicContact CE2-CB 3.88Å; F310-M313 HydrophobicContact CE2-CE 3.99Å; F310-M313 HydrophobicContact CZ-CB 3.79Å; F310-M313 HydrophobicContact CZ-CE 4.29Å; M313-V315 HydrophobicContact CG-CG2 3.84Å; M313-V315 HydrophobicContact SD-CG2 3.77Å; M313-I324 HydrophobicContact CB-CB 4.32Å; M313-I324 PolarHBondContact N-O 2.9Å; M313-I324 PolarHBondContact O-N 2.85Å
314	E	94.9	Very high	92.5	Very high	92 Å²	92	74.9 Å²	74.9	43%	0.43	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	129.7	165	178.8	173.4	168.8	0	0	108.2	R316 A322 F323 S344	E314-R316 IonicContact OE1-NE 2.69Å; E314-A322 WeakPolarHBondContact CA-O 3.47Å; E314-F323 HydrophobicContact CB-CD1 4.26Å; E314-F323 HydrophobicContact CB-CE1 4.45Å; E314-F323 HydrophobicContact CG-CD1 3.91Å; E314-F323 HydrophobicContact CG-CE1 3.67Å; E314-F323 HydrophobicContact CG-CZ 4.45Å; E314-S344 WeakPolarHBondContact OE1-CB 3.25Å; E314-S344 PolarHBondContact OE1-OG 3.32Å
315	V	93.8	Very high	92.8	Very high	69 Å²	69	72.8 Å²	72.8	42%	0.418	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	120.7	174.9	-176.3	0	0	0	0	107.9	M313 A321 A322	M313-V315 HydrophobicContact CG-CG2 3.84Å; M313-V315 HydrophobicContact SD-CG2 3.77Å; V315-A321 CarbonylContact O-C 3.57Å; V315-A321 WeakPolarHBondContact O-CA 3.33Å; V315-A322 PolarHBondContact N-O 3.4Å; V315-A322 PolarHBondContact O-N 3.01Å
316	R	90.6	Very high	93.1	Very high	111 Å²	111	66.8 Å²	66.8	42%	0.419	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	138.1	-178.3	-176.8	178.4	-76	-94.1	7.5	110.5	E314 A321 S344	E314-R316 IonicContact OE1-NE 2.69Å; R316-A321 HydrophobicContact CB-CB 4.35Å; R316-A321 HydrophobicContact CG-CB 4.17Å; R316-S344 PolarHBondContact NH2-OG 3Å
317	N	90.9	Very high	93.1	Very high	75 Å²	75	60 Å²	60	40%	0.401	35%	0.347	S	S	.	.			trans	-133.4	-166.4	167.4	66.2	33.2	0	0	0	110	N319 F320	N317-N319 PolarHBondContact O-N 3.35Å; N317-N319 WeakPolarHBondContact OD1-CA 3.33Å; N317-N319 PolarHBondContact OD1-N 2.84Å; N317-F320 PolarHBondContact N-O 3.26Å; N317-F320 WeakPolarHBondContact ND2-CD1 3.33Å; N317-F320 WeakPolarHBondContact ND2-CE1 3.25Å; N317-F320 PolarHBondContact OD1-N 2.76Å; N317-F320 PolarHBondContact OD1-O 3.32Å
318	S	88.9	Confident	93.2	Very high	109 Å²	109	55.2 Å²	55.2	76%	0.762	31%	0.308	S	S	*	.	S	Bend	trans	-69.2	-16.9	-179.6	55.1	0	0	0	0	114.9
319	N	88.9	Confident	93.1	Very high	116 Å²	116	56 Å²	56	62%	0.62	31%	0.31	S	S	*	.	S	Bend	trans	-118	-24.7	-167.5	-56.8	-0.8	0	0	0	112.7	N317 S338	N317-N319 PolarHBondContact O-N 3.35Å; N317-N319 WeakPolarHBondContact OD1-CA 3.33Å; N317-N319 PolarHBondContact OD1-N 2.84Å; N319-S338 WeakPolarHBondContact O-CB 3.26Å
320	F	92.1	Very high	93.1	Very high	78 Å²	78	52.7 Å²	52.7	34%	0.342	28%	0.284	S	S	.	.			trans	-154.8	159.3	176.6	75.5	-95.5	0	0	0	113.1	N317 A322 V336 M337	N317-F320 PolarHBondContact N-O 3.26Å; N317-F320 WeakPolarHBondContact ND2-CD1 3.33Å; N317-F320 WeakPolarHBondContact ND2-CE1 3.25Å; N317-F320 PolarHBondContact OD1-N 2.76Å; N317-F320 PolarHBondContact OD1-O 3.32Å; F320-A322 HydrophobicContact CD2-CB 3.99Å; F320-A322 HydrophobicContact CE2-CB 3.76Å; F320-V336 HydrophobicContact CB-CG1 4.21Å; F320-V336 HydrophobicContact CD2-CG1 4.16Å; F320-V336 HydrophobicContact CG-CG1 4.39Å; F320-M337 CarbonylContact C-O 3.51Å; F320-M337 VanDerWaalsContact CA-O 3.22Å; F320-M337 WeakPolarHBondContact CA-O 3.18Å
321	A	93.4	Very high	93.2	Very high	4 Å²	4	52 Å²	52	3%	0.033	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	132.9	161.1	0	0	0	0	0	109.4	V315 R316 F323 M337	V315-A321 CarbonylContact O-C 3.57Å; V315-A321 WeakPolarHBondContact O-CA 3.33Å; R316-A321 HydrophobicContact CB-CB 4.35Å; R316-A321 HydrophobicContact CG-CB 4.17Å; A321-F323 HydrophobicContact CB-CE2 3.77Å; A321-F323 HydrophobicContact CB-CZ 3.97Å; A321-M337 PolarHBondContact N-O 3.33Å; A321-M337 PolarHBondContact O-N 3.1Å
322	A	95.1	Very high	93.4	Very high	6 Å²	6	46.2 Å²	46.2	5%	0.05	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	131.7	176.3	0	0	0	0	0	110.3	E314 V315 F320 M334 V335 V336	E314-A322 WeakPolarHBondContact CA-O 3.47Å; V315-A322 PolarHBondContact N-O 3.4Å; V315-A322 PolarHBondContact O-N 3.01Å; F320-A322 HydrophobicContact CD2-CB 3.99Å; F320-A322 HydrophobicContact CE2-CB 3.76Å; A322-M334 HydrophobicContact CB-CE 4.02Å; A322-V335 CarbonylContact C-O 3.6Å; A322-V335 VanDerWaalsContact CA-O 3.29Å; A322-V335 WeakPolarHBondContact CA-O 3.42Å; A322-V336 HydrophobicContact CB-CG2 4.33Å
323	F	96.3	Very high	93.5	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.018	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	122.8	-178	-56.3	-90.4	0	0	0	108.9	E314 A321 M334 V335 M337 T347 L348 I351	E314-F323 HydrophobicContact CB-CD1 4.26Å; E314-F323 HydrophobicContact CB-CE1 4.45Å; E314-F323 HydrophobicContact CG-CD1 3.91Å; E314-F323 HydrophobicContact CG-CE1 3.67Å; E314-F323 HydrophobicContact CG-CZ 4.45Å; A321-F323 HydrophobicContact CB-CE2 3.77Å; A321-F323 HydrophobicContact CB-CZ 3.97Å; F323-M334 CarbonylContact O-C 3.55Å; F323-M334 WeakPolarHBondContact O-CA 3.39Å; F323-V335 PolarHBondContact N-O 3.29Å; F323-V335 PolarHBondContact O-N 2.88Å; F323-M337 HydrophobicContact CD2-CG 4.46Å; F323-M337 HydrophobicContact CE2-CG 4.09Å; F323-T347 HydrophobicContact CD2-CG2 3.77Å; F323-T347 HydrophobicContact CE2-CG2 3.93Å; F323-T347 HydrophobicContact CG-CG2 4.32Å; F323-L348 HydrophobicContact CD1-CD2 4.19Å; F323-L348 HydrophobicContact CD1-CG 4.43Å; F323-I351 HydrophobicContact CB-CD1 4.18Å
324	I	97.1	Very high	93.6	Very high	10 Å²	10	41.3 Å²	41.3	5%	0.051	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	123.3	171.5	-57.6	176.8	0	0	0	107.4	F272 I296 F310 S312 M313 Y332 V333 M334	F272-I324 HydrophobicContact CZ-CG2 4.39Å; I296-I324 HydrophobicContact CD1-CD1 3.53Å; I296-I324 HydrophobicContact CG1-CD1 3.9Å; F310-I324 HydrophobicContact CE1-CG2 3.88Å; F310-I324 HydrophobicContact CZ-CB 4.44Å; F310-I324 HydrophobicContact CZ-CG2 4.01Å; S312-I324 CarbonylContact C-O 3.49Å; S312-I324 WeakPolarHBondContact CA-O 3.41Å; S312-I324 VanDerWaalsContact CB-O 3.25Å; S312-I324 WeakPolarHBondContact CB-O 3.44Å; M313-I324 HydrophobicContact CB-CB 4.32Å; M313-I324 PolarHBondContact N-O 2.9Å; M313-I324 PolarHBondContact O-N 2.85Å; I324-Y332 HydrophobicContact CG2-CD1 3.74Å; I324-Y332 HydrophobicContact CG2-CE1 4.23Å; I324-V333 WeakPolarHBondContact CA-O 3.27Å; I324-M334 HydrophobicContact CD1-CG 4.42Å; I324-M334 HydrophobicContact CD1-SD 4.02Å; I324-M334 HydrophobicContact CG1-CB 4Å; I324-M334 HydrophobicContact CG1-CG 3.78Å; I324-M334 HydrophobicContact CG1-SD 4.05Å
325	D	95.9	Very high	93.7	Very high	25 Å²	25	37 Å²	37	13%	0.134	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	156.3	175.1	-171.3	24.1	0	0	0	110.5	F327 Y332 V333 I351 R355	D325-F327 PolarHBondContact O-N 2.81Å; D325-Y332 WeakPolarHBondContact O-CA 3.39Å; D325-Y332 VanDerWaalsContact O-CD1 3.26Å; D325-Y332 WeakPolarHBondContact O-CD1 3.4Å; D325-V333 PolarHBondContact N-O 3.08Å; D325-V333 VanDerWaalsContact N-O 3.08Å; D325-V333 PolarHBondContact O-N 2.74Å; D325-I351 HydrophobicContact CB-CG2 4.45Å; D325-R355 IonicContact OD2-CZ 3.71Å; D325-R355 IonicContact OD2-NH2 2.63Å; D325-R355 PolarHBondContact OD2-NH2 2.68Å
326	I	94.9	Very high	93.7	Very high	35 Å²	35	34.6 Å²	34.6	18%	0.179	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	122	169	-67.6	172.7	0	0	0	107.5	Q311 T328 Y332 R355	Q311-I326 HydrophobicContact CG-CD1 4.18Å; Q311-I326 PolarHBondContact O-N 3.2Å; I326-T328 WeakPolarHBondContact CG2-O 3.36Å; I326-Y332 HydrophobicContact CG1-CD1 4.4Å; I326-Y332 HydrophobicContact CG1-CE1 3.74Å; I326-Y332 HydrophobicContact CG1-CE2 3.89Å; I326-Y332 VanDerWaalsContact CG1-CZ 3.44Å; I326-R355 VanDerWaalsContact O-CZ 3.27Å; I326-R355 PolarHBondContact O-NE 3.37Å; I326-R355 PolarHBondContact O-NH2 3.35Å
327	F	94	Very high	93.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.169	C	C	.	.			trans	-94.7	-49.1	-176.6	-164.2	-136	0	0	0	112.2	F255 L266 D325 T331 V333 I351 A354 R355 F358	F255-F327 HydrophobicContact CE1-CZ 4.42Å; L266-F327 HydrophobicContact CD1-CD1 3.64Å; L266-F327 HydrophobicContact CD1-CE1 4.25Å; D325-F327 PolarHBondContact O-N 2.81Å; F327-T331 PolarHBondContact N-O 2.97Å; F327-V333 HydrophobicContact CB-CB 3.75Å; F327-V333 HydrophobicContact CB-CG1 3.81Å; F327-V333 HydrophobicContact CD1-CB 4.17Å; F327-V333 HydrophobicContact CD2-CB 3.99Å; F327-V333 HydrophobicContact CD2-CG1 3.57Å; F327-V333 HydrophobicContact CE2-CG1 4.24Å; F327-V333 HydrophobicContact CG-CB 3.74Å; F327-V333 HydrophobicContact CG-CG1 3.8Å; F327-I351 HydrophobicContact CD2-CG2 4.14Å; F327-I351 HydrophobicContact CE2-CG2 4.39Å; F327-A354 HydrophobicContact CE2-CB 3.86Å; F327-A354 HydrophobicContact CZ-CB 3.83Å; F327-R355 WeakPolarHBondContact O-CB 3.04Å; F327-R355 WeakPolarHBondContact O-CD 3.42Å; F327-R355 WeakPolarHBondContact O-CG 3.38Å; F327-R355 PolarHBondContact O-NE 3.04Å; F327-F358 HydrophobicContact CD1-CB 4.25Å; F327-F358 HydrophobicContact CD1-CD1 4.5Å; F327-F358 HydrophobicContact CD1-CG 4.19Å; F327-F358 HydrophobicContact CE1-CB 3.8Å; F327-F358 AromaticContact CE1-CD1 3.71Å; F327-F358 HydrophobicContact CE1-CD1 3.71Å; F327-F358 AromaticContact CE1-CD2 3.35Å; F327-F358 HydrophobicContact CE1-CD2 3.35Å; F327-F358 HydrophobicContact CE1-CE1 4.06Å; F327-F358 AromaticContact CE1-CE2 3.74Å; F327-F358 HydrophobicContact CE1-CE2 3.74Å; F327-F358 AromaticContact CE1-CG 3.33Å; F327-F358 HydrophobicContact CE1-CG 3.33Å; F327-F358 HydrophobicContact CE1-CZ 4.07Å; F327-F358 HydrophobicContact CZ-CB 4.39Å; F327-F358 AromaticContact CZ-CD2 3.38Å; F327-F358 HydrophobicContact CZ-CD2 3.38Å; F327-F358 AromaticContact CZ-CE2 3.66Å; F327-F358 HydrophobicContact CZ-CE2 3.66Å; F327-F358 AromaticContact CZ-CG 3.88Å; F327-F358 HydrophobicContact CZ-CG 3.88Å; F327-F358 HydrophobicContact CZ-CZ 4.34Å
328	T	92.6	Very high	93.8	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.018	17%	0.168	C	C	.	.	S	Bend	trans	-127.6	-173.3	172.8	69.7	0	0	0	0	110.2	I326 N330 T331 F358 E359 E362	I326-T328 WeakPolarHBondContact CG2-O 3.36Å; T328-N330 PolarHBondContact O-N 2.82Å; T328-N330 PolarHBondContact OG1-N 3.25Å; T328-N330 VanDerWaalsContact OG1-N 3.08Å; T328-T331 WeakPolarHBondContact CG2-OG1 3.28Å; T328-T331 PolarHBondContact N-O 3.44Å; T328-T331 PolarHBondContact N-OG1 2.92Å; T328-T331 PolarHBondContact OG1-N 3.36Å; T328-T331 PolarHBondContact OG1-OG1 3.01Å; T328-F358 HydrophobicContact CG2-CB 3.86Å; T328-E359 HydrophobicContact CG2-CG 4.11Å; T328-E362 VanDerWaalsContact CB-OE1 3.28Å; T328-E362 WeakPolarHBondContact CB-OE1 3.36Å; T328-E362 WeakPolarHBondContact CG2-OE1 3.39Å; T328-E362 VanDerWaalsContact OG1-CD 3.29Å; T328-E362 PolarHBondContact OG1-OE1 3.43Å; T328-E362 PolarHBondContact OG1-OE2 3.01Å
329	S	89.9	Confident	93.7	Very high	68 Å²	68	26.4 Å²	26.4	48%	0.476	15%	0.148	S	C	.	.	S	Bend	trans	-57	-28.7	168	42.8	0	0	0	0	113.4	R269	R269-S329 WeakPolarHBondContact CD-O 3.45Å; R269-S329 PolarHBondContact NH1-O 3.37Å
330	N	91.3	Very high	93.2	Very high	38 Å²	38	26 Å²	26	20%	0.203	15%	0.152	C	C	.	.	S	Bend	trans	-117.4	-3.8	-170.1	-55.1	-70.3	0	0	0	114.1	R269 T328 E362	R269-N330 VanDerWaalsContact CB-C 3.44Å; R269-N330 VanDerWaalsContact CB-O 3.27Å; R269-N330 WeakPolarHBondContact CB-O 3.31Å; R269-N330 PolarHBondContact N-O 3.08Å; T328-N330 PolarHBondContact O-N 2.82Å; T328-N330 PolarHBondContact OG1-N 3.25Å; T328-N330 VanDerWaalsContact OG1-N 3.08Å; N330-E362 PolarHBondContact ND2-OE2 3.39Å
331	T	93.8	Very high	92.8	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.012	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	155.6	-176.9	61.5	0	0	0	0	114.3	L114 L266 F267 I275 F327 T328	L114-T331 HydrophobicContact CD2-CG2 3.45Å; L114-T331 VanDerWaalsContact CD2-CG2 3.45Å; L266-T331 HydrophobicContact CD1-CG2 4.17Å; L266-T331 HydrophobicContact CG-CG2 4.28Å; F267-T331 CarbonylContact O-C 3.52Å; F267-T331 WeakPolarHBondContact O-CA 3.46Å; F267-T331 WeakPolarHBondContact O-CB 3.26Å; I275-T331 HydrophobicContact CD1-CG2 3.77Å; F327-T331 PolarHBondContact N-O 2.97Å; T328-T331 WeakPolarHBondContact CG2-OG1 3.28Å; T328-T331 PolarHBondContact N-O 3.44Å; T328-T331 PolarHBondContact N-OG1 2.92Å; T328-T331 PolarHBondContact OG1-N 3.36Å; T328-T331 PolarHBondContact OG1-OG1 3.01Å
332	Y	96.6	Very high	92.4	Very high	3 Å²	3	27.6 Å²	27.6	1%	0.012	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	148.3	160.4	-92.7	-95.6	0	0	0	109.3	F267 R269 F272 F310 Q311 I324 D325 I326	F267-Y332 PolarHBondContact N-O 2.63Å; F267-Y332 PolarHBondContact O-N 2.94Å; R269-Y332 HydrophobicContact CB-CD2 4.26Å; R269-Y332 HydrophobicContact CG-CD2 3.94Å; R269-Y332 HydrophobicContact CG-CE2 3.83Å; F272-Y332 HydrophobicContact CD2-CD2 4.37Å; F272-Y332 HydrophobicContact CE2-CD1 4.14Å; F272-Y332 AromaticContact CE2-CD2 3.46Å; F272-Y332 HydrophobicContact CE2-CD2 3.46Å; F272-Y332 VanDerWaalsContact CE2-CD2 3.46Å; F272-Y332 HydrophobicContact CE2-CE1 4.48Å; F272-Y332 AromaticContact CE2-CE2 3.85Å; F272-Y332 HydrophobicContact CE2-CE2 3.85Å; F272-Y332 AromaticContact CE2-CG 3.62Å; F272-Y332 HydrophobicContact CE2-CG 3.62Å; F272-Y332 AromaticContact CZ-CD1 3.95Å; F272-Y332 HydrophobicContact CZ-CD1 3.95Å; F272-Y332 HydrophobicContact CZ-CD2 4.02Å; F272-Y332 AromaticContact CZ-CG 3.65Å; F272-Y332 HydrophobicContact CZ-CG 3.65Å; F310-Y332 VanDerWaalsContact C-OH 3.27Å; F310-Y332 AromaticContact CD1-CE1 3.76Å; F310-Y332 HydrophobicContact CD1-CE1 3.76Å; F310-Y332 AromaticContact CD1-CZ 3.71Å; F310-Y332 WeakPolarHBondContact CD1-OH 3.29Å; F310-Y332 HydrophobicContact CE1-CD1 4.3Å; F310-Y332 AromaticContact CE1-CE1 3.57Å; F310-Y332 HydrophobicContact CE1-CE1 3.57Å; F310-Y332 PolarHBondContact O-OH 3.35Å; Q311-Y332 WeakPolarHBondContact O-CE1 3.41Å; I324-Y332 HydrophobicContact CG2-CD1 3.74Å; I324-Y332 HydrophobicContact CG2-CE1 4.23Å; D325-Y332 WeakPolarHBondContact O-CA 3.39Å; D325-Y332 VanDerWaalsContact O-CD1 3.26Å; D325-Y332 WeakPolarHBondContact O-CD1 3.4Å; I326-Y332 HydrophobicContact CG1-CD1 4.4Å; I326-Y332 HydrophobicContact CG1-CE1 3.74Å; I326-Y332 HydrophobicContact CG1-CE2 3.89Å; I326-Y332 VanDerWaalsContact CG1-CZ 3.44Å
333	V	97	Very high	92.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	141.7	167.6	68.5	0	0	0	0	109.3	F255 V264 L265 I324 D325 F327 V335 I351	F255-V333 HydrophobicContact CE1-CG2 4.36Å; V264-V333 HydrophobicContact CG1-CG2 3.68Å; L265-V333 CarbonylContact O-C 3.58Å; L265-V333 WeakPolarHBondContact O-CA 3.49Å; I324-V333 WeakPolarHBondContact CA-O 3.27Å; D325-V333 PolarHBondContact N-O 3.08Å; D325-V333 VanDerWaalsContact N-O 3.08Å; D325-V333 PolarHBondContact O-N 2.74Å; F327-V333 HydrophobicContact CB-CB 3.75Å; F327-V333 HydrophobicContact CB-CG1 3.81Å; F327-V333 HydrophobicContact CD1-CB 4.17Å; F327-V333 HydrophobicContact CD2-CB 3.99Å; F327-V333 HydrophobicContact CD2-CG1 3.57Å; F327-V333 HydrophobicContact CE2-CG1 4.24Å; F327-V333 HydrophobicContact CG-CB 3.74Å; F327-V333 HydrophobicContact CG-CG1 3.8Å; V333-V335 HydrophobicContact CG2-CG2 4.05Å; V333-I351 HydrophobicContact CG1-CG2 3.93Å
334	M	97.4	Very high	91.7	Very high	20 Å²	20	32.2 Å²	32.2	10%	0.099	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	130.7	162.3	-179.8	172.2	168.1	0	0	108.8	V264 L265 F267 I292 A322 F323 I324 V336	V264-M334 CarbonylContact C-O 3.59Å; V264-M334 VanDerWaalsContact CA-O 3.31Å; V264-M334 WeakPolarHBondContact CA-O 3.42Å; L265-M334 HydrophobicContact CB-CB 4.2Å; L265-M334 HydrophobicContact CD1-SD 4.19Å; L265-M334 PolarHBondContact N-O 3.22Å; L265-M334 PolarHBondContact O-N 3.24Å; F267-M334 HydrophobicContact CE2-CB 3.76Å; I292-M334 HydrophobicContact CD1-CE 3.96Å; I292-M334 HydrophobicContact CD1-SD 4.04Å; I292-M334 HydrophobicContact CG2-SD 3.78Å; A322-M334 HydrophobicContact CB-CE 4.02Å; F323-M334 CarbonylContact O-C 3.55Å; F323-M334 WeakPolarHBondContact O-CA 3.39Å; I324-M334 HydrophobicContact CD1-CG 4.42Å; I324-M334 HydrophobicContact CD1-SD 4.02Å; I324-M334 HydrophobicContact CG1-CB 4Å; I324-M334 HydrophobicContact CG1-CG 3.78Å; I324-M334 HydrophobicContact CG1-SD 4.05Å; M334-V336 HydrophobicContact CE-CG2 3.85Å
335	V	96.4	Very high	91.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130.1	176.3	178	0	0	0	0	108.4	F255 I259 A261 V264 A322 F323 V333 M337 T347 I351	F255-V335 HydrophobicContact CE1-CG2 4.13Å; F255-V335 HydrophobicContact CZ-CG2 4.39Å; I259-V335 HydrophobicContact CD1-CG1 3.64Å; I259-V335 HydrophobicContact CD1-CG2 4.09Å; A261-V335 HydrophobicContact CB-CG1 3.9Å; V264-V335 HydrophobicContact CG1-CG2 4.31Å; V264-V335 HydrophobicContact CG2-CG1 4.44Å; V264-V335 HydrophobicContact CG2-CG2 4.35Å; A322-V335 CarbonylContact C-O 3.6Å; A322-V335 VanDerWaalsContact CA-O 3.29Å; A322-V335 WeakPolarHBondContact CA-O 3.42Å; F323-V335 PolarHBondContact N-O 3.29Å; F323-V335 PolarHBondContact O-N 2.88Å; V333-V335 HydrophobicContact CG2-CG2 4.05Å; V335-M337 HydrophobicContact CG1-CG 4.14Å; V335-M337 HydrophobicContact CG1-SD 3.67Å; V335-T347 HydrophobicContact CG1-CG2 4.04Å; V335-I351 HydrophobicContact CB-CD1 4.46Å; V335-I351 HydrophobicContact CG2-CD1 3.96Å; V335-I351 HydrophobicContact CG2-CG1 4.08Å
336	V	95.1	Very high	91.1	Very high	20 Å²	20	35.3 Å²	35.3	12%	0.121	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	127.7	175.7	-173.8	0	0	0	0	109.6	D262 E263 F320 A322 M334	D262-V336 PolarHBondContact N-O 2.85Å; E263-V336 HydrophobicContact CB-CB 4.17Å; E263-V336 HydrophobicContact CB-CG2 4.37Å; E263-V336 PolarHBondContact N-O 2.88Å; E263-V336 PolarHBondContact O-N 2.93Å; F320-V336 HydrophobicContact CB-CG1 4.21Å; F320-V336 HydrophobicContact CD2-CG1 4.16Å; F320-V336 HydrophobicContact CG-CG1 4.39Å; A322-V336 HydrophobicContact CB-CG2 4.33Å; M334-V336 HydrophobicContact CE-CG2 3.85Å
337	M	92.9	Very high	90.9	Very high	5 Å²	5	33.8 Å²	33.8	3%	0.025	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	123.1	-178.4	-54.2	-60.5	-54.1	0	0	109.2	I259 E260 A261 F320 A321 F323 V335 I342 T347	I259-M337 WeakPolarHBondContact O-CE 3.36Å; E260-M337 WeakPolarHBondContact O-CE 3.31Å; A261-M337 VanDerWaalsContact CA-SD 3.59Å; A261-M337 HydrophobicContact CB-SD 3.69Å; F320-M337 CarbonylContact C-O 3.51Å; F320-M337 VanDerWaalsContact CA-O 3.22Å; F320-M337 WeakPolarHBondContact CA-O 3.18Å; A321-M337 PolarHBondContact N-O 3.33Å; A321-M337 PolarHBondContact O-N 3.1Å; F323-M337 HydrophobicContact CD2-CG 4.46Å; F323-M337 HydrophobicContact CE2-CG 4.09Å; V335-M337 HydrophobicContact CG1-CG 4.14Å; V335-M337 HydrophobicContact CG1-SD 3.67Å; M337-I342 HydrophobicContact CE-CD1 3.53Å; M337-T347 HydrophobicContact CG-CG2 4.3Å; M337-T347 HydrophobicContact SD-CG2 4.5Å
338	S	90.4	Very high	90.8	Very high	54 Å²	54	37.4 Å²	37.4	38%	0.378	24%	0.242	S	C	.	.			trans	-90	-20.3	170	60.7	0	0	0	0	114.2	D262 N319 P340	D262-S338 PolarHBondContact OD1-OG 2.91Å; D262-S338 WeakPolarHBondContact OD2-CA 3.2Å; D262-S338 WeakPolarHBondContact OD2-CB 3.47Å; D262-S338 PolarHBondContact OD2-N 2.87Å; D262-S338 PolarHBondContact OD2-OG 2.83Å; N319-S338 WeakPolarHBondContact O-CB 3.26Å; S338-P340 VanDerWaalsContact O-CD 3.22Å; S338-P340 WeakPolarHBondContact O-CD 3.25Å
339	D	85.8	Confident	90.8	Very high	63 Å²	63	42 Å²	42	34%	0.337	27%	0.265	S	S	.	.			trans	-71.7	114.4	178.5	-173.5	-1.8	0	0	0	111.5	S341 I342	D339-S341 PolarHBondContact O-N 3.35Å; D339-S341 WeakPolarHBondContact OD1-CB 3.29Å; D339-S341 PolarHBondContact OD1-N 2.83Å; D339-S341 PolarHBondContact OD1-OG 2.77Å; D339-S341 PolarHBondContact OD2-OG 2.87Å; D339-I342 HydrophobicContact CB-CD1 4.03Å; D339-I342 HydrophobicContact CB-CG1 4.22Å
340	P	78.5	Confident	91	Very high	107 Å²	107	41.3 Å²	41.3	70%	0.695	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-13.2	177.1	33.8	-37.7	0	0	0	113.3	S338 I342	S338-P340 VanDerWaalsContact O-CD 3.22Å; S338-P340 WeakPolarHBondContact O-CD 3.25Å; P340-I342 VanDerWaalsContact C-N 3.32Å
341	S	84.4	Confident	91.1	Very high	86 Å²	86	39.5 Å²	39.5	60%	0.601	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-27.7	-179.8	88.5	0	0	0	0	112.6	D339 P343	D339-S341 PolarHBondContact O-N 3.35Å; D339-S341 WeakPolarHBondContact OD1-CB 3.29Å; D339-S341 PolarHBondContact OD1-N 2.83Å; D339-S341 PolarHBondContact OD1-OG 2.77Å; D339-S341 PolarHBondContact OD2-OG 2.87Å; S341-P343 VanDerWaalsContact O-CD 3.28Å; S341-P343 WeakPolarHBondContact O-CD 3.46Å
342	I	85	Confident	91.1	Very high	31 Å²	31	47.8 Å²	47.8	16%	0.159	28%	0.278	C	S	.	.	S	Bend	trans	-77.5	115.9	-177.8	-59.9	175.4	0	0	0	109.9	M337 D339 P340 A346	M337-I342 HydrophobicContact CE-CD1 3.53Å; D339-I342 HydrophobicContact CB-CD1 4.03Å; D339-I342 HydrophobicContact CB-CG1 4.22Å; P340-I342 VanDerWaalsContact C-N 3.32Å; I342-A346 HydrophobicContact CG2-CB 4.41Å
343	P	88.2	Confident	90.9	Very high	83 Å²	83	51.9 Å²	51.9	54%	0.539	30%	0.3	S	S	.	.			trans	-70	140.1	179.4	-17.8	32.4	0	0	0	111.4	S341 A345 A346	S341-P343 VanDerWaalsContact O-CD 3.28Å; S341-P343 WeakPolarHBondContact O-CD 3.46Å; P343-A345 PolarHBondContact O-N 3.5Å; P343-A346 WeakPolarHBondContact O-CB 3.26Å; P343-A346 PolarHBondContact O-N 2.94Å
344	S	88.1	Confident	90.7	Very high	24 Å²	24	52.6 Å²	52.6	17%	0.168	31%	0.305	C	S	.	.	H	α-helix	trans	-50	-35.1	177.2	-59.9	0	0	0	0	113.3	E314 R316 A346 T347 L348	E314-S344 WeakPolarHBondContact OE1-CB 3.25Å; E314-S344 PolarHBondContact OE1-OG 3.32Å; R316-S344 PolarHBondContact NH2-OG 3Å; S344-A346 VanDerWaalsContact C-N 3.32Å; S344-A346 PolarHBondContact O-N 2.86Å; S344-T347 PolarHBondContact O-N 3.42Å; S344-L348 WeakPolarHBondContact O-CB 3.09Å; S344-L348 VanDerWaalsContact O-CG 3.28Å; S344-L348 WeakPolarHBondContact O-CG 3.33Å; S344-L348 PolarHBondContact O-N 3.38Å
345	A	89.7	Confident	90.5	Very high	61 Å²	61	54.4 Å²	54.4	50%	0.504	31%	0.311	S	S	.	.	H	α-helix	trans	-60.2	-37	176.7	0	0	0	0	0	113.4	P343 I349	P343-A345 PolarHBondContact O-N 3.5Å; A345-I349 WeakPolarHBondContact O-CB 3.35Å; A345-I349 WeakPolarHBondContact O-CD1 3.47Å; A345-I349 WeakPolarHBondContact O-CG1 3.36Å; A345-I349 PolarHBondContact O-N 3.01Å
346	A	91.6	Very high	90.1	Very high	38 Å²	38	60.9 Å²	60.9	31%	0.314	34%	0.34	S	S	.	.	H	α-helix	trans	-66.9	-48.3	177.8	0	0	0	0	0	110.8	I342 P343 S344 L348 I349 N350	I342-A346 HydrophobicContact CG2-CB 4.41Å; P343-A346 WeakPolarHBondContact O-CB 3.26Å; P343-A346 PolarHBondContact O-N 2.94Å; S344-A346 VanDerWaalsContact C-N 3.32Å; S344-A346 PolarHBondContact O-N 2.86Å; A346-L348 PolarHBondContact O-N 3.19Å; A346-I349 PolarHBondContact O-N 2.84Å; A346-N350 VanDerWaalsContact O-CG 3.26Å; A346-N350 PolarHBondContact O-N 2.86Å
347	T	91.1	Very high	89.8	Confident	4 Å²	4	64.6 Å²	64.6	3%	0.025	36%	0.355	C	S	.	.	H	α-helix	trans	-59.3	-44.7	177.1	-43.9	0	0	0	0	111.7	F323 V335 M337 S344 N350 I351	F323-T347 HydrophobicContact CD2-CG2 3.77Å; F323-T347 HydrophobicContact CE2-CG2 3.93Å; F323-T347 HydrophobicContact CG-CG2 4.32Å; V335-T347 HydrophobicContact CG1-CG2 4.04Å; M337-T347 HydrophobicContact CG-CG2 4.3Å; M337-T347 HydrophobicContact SD-CG2 4.5Å; S344-T347 PolarHBondContact O-N 3.42Å; T347-N350 PolarHBondContact O-N 3.44Å; T347-I351 HydrophobicContact CG2-CD1 4.17Å; T347-I351 WeakPolarHBondContact O-CG1 3.09Å; T347-I351 PolarHBondContact O-N 2.89Å
348	L	91.4	Very high	89.6	Confident	75 Å²	75	64.8 Å²	64.8	39%	0.393	36%	0.356	S	S	.	.	H	α-helix	trans	-65.6	-38	178	-68.9	171.4	0	0	0	112.9	F323 S344 A346 R352	F323-L348 HydrophobicContact CD1-CD2 4.19Å; F323-L348 HydrophobicContact CD1-CG 4.43Å; S344-L348 WeakPolarHBondContact O-CB 3.09Å; S344-L348 VanDerWaalsContact O-CG 3.28Å; S344-L348 WeakPolarHBondContact O-CG 3.33Å; S344-L348 PolarHBondContact O-N 3.38Å; A346-L348 PolarHBondContact O-N 3.19Å; L348-R352 WeakPolarHBondContact O-CB 3.29Å; L348-R352 PolarHBondContact O-N 3.39Å
349	I	93.2	Very high	89.5	Confident	99 Å²	99	65.1 Å²	65.1	51%	0.508	35%	0.352	S	S	.	.	H	α-helix	trans	-64.2	-42.8	172.9	-72.6	165.6	0	0	0	110.4	A345 A346 R352 N353	A345-I349 WeakPolarHBondContact O-CB 3.35Å; A345-I349 WeakPolarHBondContact O-CD1 3.47Å; A345-I349 WeakPolarHBondContact O-CG1 3.36Å; A345-I349 PolarHBondContact O-N 3.01Å; A346-I349 PolarHBondContact O-N 2.84Å; I349-R352 PolarHBondContact O-N 3.36Å; I349-N353 WeakPolarHBondContact O-CB 3.38Å; I349-N353 VanDerWaalsContact O-CG 3.31Å; I349-N353 PolarHBondContact O-N 3.02Å; I349-N353 PolarHBondContact O-ND2 3.42Å
350	N	93.3	Very high	89.4	Confident	54 Å²	54	69 Å²	69	29%	0.289	37%	0.365	S	S	.	.	H	α-helix	trans	-65.2	-44.6	179.3	-69.8	-13.6	0	0	0	112.2	I259 A346 T347 R352 N353 A354	I259-N350 HydrophobicContact CG2-CB 3.59Å; A346-N350 VanDerWaalsContact O-CG 3.26Å; A346-N350 PolarHBondContact O-N 2.86Å; T347-N350 PolarHBondContact O-N 3.44Å; N350-R352 VanDerWaalsContact C-N 3.33Å; N350-R352 PolarHBondContact O-N 3Å; N350-N353 PolarHBondContact O-N 3.24Å; N350-A354 WeakPolarHBondContact O-CB 3.21Å; N350-A354 PolarHBondContact O-N 2.91Å
351	I	93.4	Very high	89.3	Confident	0 Å²	0	66 Å²	66	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-55.6	-47.7	172	-70	164.3	0	0	0	110.5	F255 F323 D325 F327 V333 V335 T347 N353 A354 R355	F255-I351 HydrophobicContact CZ-CG1 4.04Å; F323-I351 HydrophobicContact CB-CD1 4.18Å; D325-I351 HydrophobicContact CB-CG2 4.45Å; F327-I351 HydrophobicContact CD2-CG2 4.14Å; F327-I351 HydrophobicContact CE2-CG2 4.39Å; V333-I351 HydrophobicContact CG1-CG2 3.93Å; V335-I351 HydrophobicContact CB-CD1 4.46Å; V335-I351 HydrophobicContact CG2-CD1 3.96Å; V335-I351 HydrophobicContact CG2-CG1 4.08Å; T347-I351 HydrophobicContact CG2-CD1 4.17Å; T347-I351 WeakPolarHBondContact O-CG1 3.09Å; T347-I351 PolarHBondContact O-N 2.89Å; I351-N353 VanDerWaalsContact C-N 3.32Å; I351-N353 PolarHBondContact O-N 3.37Å; I351-A354 PolarHBondContact O-N 2.93Å; I351-R355 PolarHBondContact O-N 3.25Å
352	R	92.6	Very high	88.8	Confident	177 Å²	177	63.7 Å²	63.7	67%	0.668	32%	0.323	S	S	*	.	H	α-helix	trans	-65.3	-32.1	179.2	-174.6	178.8	-179.8	-175.5	0.8	113.4	L348 I349 N350	L348-R352 WeakPolarHBondContact O-CB 3.29Å; L348-R352 PolarHBondContact O-N 3.39Å; I349-R352 PolarHBondContact O-N 3.36Å; N350-R352 VanDerWaalsContact C-N 3.33Å; N350-R352 PolarHBondContact O-N 3Å
353	N	92.4	Very high	87.9	Confident	88 Å²	88	70.4 Å²	70.4	47%	0.471	35%	0.347	S	S	.	.	H	α-helix	trans	-73.5	-44.8	175.5	-75.1	-26.5	0	0	0	111.2	I349 N350 I351 R355 K356	I349-N353 WeakPolarHBondContact O-CB 3.38Å; I349-N353 VanDerWaalsContact O-CG 3.31Å; I349-N353 PolarHBondContact O-N 3.02Å; I349-N353 PolarHBondContact O-ND2 3.42Å; N350-N353 PolarHBondContact O-N 3.24Å; I351-N353 VanDerWaalsContact C-N 3.32Å; I351-N353 PolarHBondContact O-N 3.37Å; N353-R355 VanDerWaalsContact C-N 3.35Å; N353-R355 PolarHBondContact O-N 3.23Å; N353-K356 PolarHBondContact O-N 2.9Å
354	A	93.6	Very high	86.3	Confident	15 Å²	15	70 Å²	70	12%	0.124	34%	0.342	C	S	.	.	H	α-helix	trans	-63.8	-35.2	178.5	0	0	0	0	0	113	F255 F327 N350 I351 K356 H357 F358	F255-A354 HydrophobicContact CD2-CB 3.43Å; F255-A354 VanDerWaalsContact CD2-CB 3.43Å; F255-A354 HydrophobicContact CE2-CB 3.35Å; F255-A354 HydrophobicContact CG-CB 4.26Å; F255-A354 HydrophobicContact CZ-CB 4.13Å; F327-A354 HydrophobicContact CE2-CB 3.86Å; F327-A354 HydrophobicContact CZ-CB 3.83Å; N350-A354 WeakPolarHBondContact O-CB 3.21Å; N350-A354 PolarHBondContact O-N 2.91Å; I351-A354 PolarHBondContact O-N 2.93Å; A354-K356 PolarHBondContact O-N 3.28Å; A354-K356 VanDerWaalsContact O-N 3.08Å; A354-H357 WeakPolarHBondContact O-CA 3.47Å; A354-H357 WeakPolarHBondContact O-CB 3.29Å; A354-H357 PolarHBondContact O-N 3.05Å; A354-F358 WeakPolarHBondContact O-CD2 3.39Å; A354-F358 PolarHBondContact O-N 2.84Å
355	R	93.3	Very high	84.5	Confident	59 Å²	59	72 Å²	72	22%	0.223	35%	0.351	C	S	.	.	H	α-helix	trans	-42.2	-46.1	172.3	168.3	169.6	-46.3	143.7	15.4	113.2	D325 I326 F327 I351 N353 H357 F358 E359	D325-R355 IonicContact OD2-CZ 3.71Å; D325-R355 IonicContact OD2-NH2 2.63Å; D325-R355 PolarHBondContact OD2-NH2 2.68Å; I326-R355 VanDerWaalsContact O-CZ 3.27Å; I326-R355 PolarHBondContact O-NE 3.37Å; I326-R355 PolarHBondContact O-NH2 3.35Å; F327-R355 WeakPolarHBondContact O-CB 3.04Å; F327-R355 WeakPolarHBondContact O-CD 3.42Å; F327-R355 WeakPolarHBondContact O-CG 3.38Å; F327-R355 PolarHBondContact O-NE 3.04Å; I351-R355 PolarHBondContact O-N 3.25Å; N353-R355 VanDerWaalsContact C-N 3.35Å; N353-R355 PolarHBondContact O-N 3.23Å; R355-H357 PolarHBondContact O-N 2.64Å; R355-F358 PolarHBondContact O-N 2.59Å; R355-E359 HydrophobicContact CG-CG 4.31Å; R355-E359 VanDerWaalsContact CG-OE1 3.29Å; R355-E359 WeakPolarHBondContact CG-OE1 3.42Å; R355-E359 WeakPolarHBondContact O-CB 3.25Å; R355-E359 WeakPolarHBondContact O-CG 3.37Å; R355-E359 PolarHBondContact O-N 2.81Å
356	K	88.9	Confident	82.2	Confident	136 Å²	136	70.2 Å²	70.2	59%	0.591	34%	0.339	S	S	*	.	H	α-helix	trans	-65.3	-23.2	-179.7	-62.4	177.1	-177.4	170.5	0	114.2	N353 A354 K360	N353-K356 PolarHBondContact O-N 2.9Å; A354-K356 PolarHBondContact O-N 3.28Å; A354-K356 VanDerWaalsContact O-N 3.08Å; K356-K360 WeakPolarHBondContact O-CG 3.5Å
357	H	88.8	Confident	79.5	Confident	98 Å²	98	74.4 Å²	74.4	45%	0.454	36%	0.362	S	S	.	.	H	α-helix	trans	-82.2	-49.4	175.7	-173.7	92.6	0	0	0	110.2	A354 R355 E359 K360 L361	A354-H357 WeakPolarHBondContact O-CA 3.47Å; A354-H357 WeakPolarHBondContact O-CB 3.29Å; A354-H357 PolarHBondContact O-N 3.05Å; R355-H357 PolarHBondContact O-N 2.64Å; H357-E359 PolarHBondContact O-N 2.78Å; H357-K360 WeakPolarHBondContact O-CB 3.28Å; H357-K360 PolarHBondContact O-N 3.42Å; H357-K360 VanDerWaalsContact O-N 3.07Å; H357-L361 PolarHBondContact O-N 3.24Å
358	F	87.9	Confident	77	Confident	9 Å²	9	82.6 Å²	82.6	4%	0.039	40%	0.398	C	S	.	.	H	α-helix	trans	-68.1	-34.9	-179.3	-73.9	-100.2	0	0	0	113.2	L248 N251 L252 F255 F327 T328 A354 R355 K360 L361 E362	L248-F358 HydrophobicContact CD1-CD1 3.98Å; L248-F358 HydrophobicContact CD1-CE1 3.92Å; N251-F358 HydrophobicContact CB-CE1 4.09Å; N251-F358 HydrophobicContact CB-CZ 3.94Å; L252-F358 HydrophobicContact CD1-CE1 4.43Å; L252-F358 HydrophobicContact CD1-CZ 4.35Å; F255-F358 HydrophobicContact CB-CE2 4.28Å; F255-F358 HydrophobicContact CB-CZ 4.38Å; F327-F358 HydrophobicContact CD1-CB 4.25Å; F327-F358 HydrophobicContact CD1-CD1 4.5Å; F327-F358 HydrophobicContact CD1-CG 4.19Å; F327-F358 HydrophobicContact CE1-CB 3.8Å; F327-F358 AromaticContact CE1-CD1 3.71Å; F327-F358 HydrophobicContact CE1-CD1 3.71Å; F327-F358 AromaticContact CE1-CD2 3.35Å; F327-F358 HydrophobicContact CE1-CD2 3.35Å; F327-F358 HydrophobicContact CE1-CE1 4.06Å; F327-F358 AromaticContact CE1-CE2 3.74Å; F327-F358 HydrophobicContact CE1-CE2 3.74Å; F327-F358 AromaticContact CE1-CG 3.33Å; F327-F358 HydrophobicContact CE1-CG 3.33Å; F327-F358 HydrophobicContact CE1-CZ 4.07Å; F327-F358 HydrophobicContact CZ-CB 4.39Å; F327-F358 AromaticContact CZ-CD2 3.38Å; F327-F358 HydrophobicContact CZ-CD2 3.38Å; F327-F358 AromaticContact CZ-CE2 3.66Å; F327-F358 HydrophobicContact CZ-CE2 3.66Å; F327-F358 AromaticContact CZ-CG 3.88Å; F327-F358 HydrophobicContact CZ-CG 3.88Å; F327-F358 HydrophobicContact CZ-CZ 4.34Å; T328-F358 HydrophobicContact CG2-CB 3.86Å; A354-F358 WeakPolarHBondContact O-CD2 3.39Å; A354-F358 PolarHBondContact O-N 2.84Å; R355-F358 PolarHBondContact O-N 2.59Å; F358-K360 PolarHBondContact O-N 2.83Å; F358-L361 HydrophobicContact CD1-CD1 4.11Å; F358-L361 HydrophobicContact CE1-CD1 4.47Å; F358-L361 HydrophobicContact CG-CD1 4.4Å; F358-L361 PolarHBondContact O-N 3.35Å; F358-L361 VanDerWaalsContact O-N 3.09Å; F358-E362 PolarHBondContact O-N 2.89Å; F358-E362 VanDerWaalsContact O-N 3.16Å
359	E	87.4	Confident	74.3	Confident	61 Å²	61	87.2 Å²	87.2	29%	0.285	42%	0.417	S	S	.	.	H	α-helix	trans	-60.7	-22.6	170.7	-79.2	-177.9	-163.8	0	0	113.9	T328 R355 H357 R363	T328-E359 HydrophobicContact CG2-CG 4.11Å; R355-E359 HydrophobicContact CG-CG 4.31Å; R355-E359 VanDerWaalsContact CG-OE1 3.29Å; R355-E359 WeakPolarHBondContact CG-OE1 3.42Å; R355-E359 WeakPolarHBondContact O-CB 3.25Å; R355-E359 WeakPolarHBondContact O-CG 3.37Å; R355-E359 PolarHBondContact O-N 2.81Å; H357-E359 PolarHBondContact O-N 2.78Å; E359-R363 WeakPolarHBondContact O-CD 3.19Å; E359-R363 VanDerWaalsContact O-CG 3.31Å; E359-R363 WeakPolarHBondContact O-CG 3.39Å; E359-R363 PolarHBondContact O-NE 3.47Å
360	K	83.7	Confident	71.5	Confident	143 Å²	143	87.6 Å²	87.6	62%	0.622	43%	0.428	S	S	*	.	H	α-helix	trans	-80	-41.1	172.7	-67.7	173.7	-178.2	-177.2	0	111	K356 H357 F358 E362 R363 V364	K356-K360 WeakPolarHBondContact O-CG 3.5Å; H357-K360 WeakPolarHBondContact O-CB 3.28Å; H357-K360 PolarHBondContact O-N 3.42Å; H357-K360 VanDerWaalsContact O-N 3.07Å; F358-K360 PolarHBondContact O-N 2.83Å; K360-E362 VanDerWaalsContact C-N 3.34Å; K360-E362 PolarHBondContact O-N 3.26Å; K360-R363 PolarHBondContact O-N 3.39Å; K360-V364 VanDerWaalsContact O-CG2 3.23Å; K360-V364 WeakPolarHBondContact O-CG2 3.48Å; K360-V364 PolarHBondContact O-N 3.26Å
361	L	77.6	Confident	68.7	Low	44 Å²	44	92.3 Å²	92.3	23%	0.23	45%	0.452	C	S	.	.	H	α-helix	trans	-58.2	-45.1	178.9	-63.4	171.6	0	0	0	111.3	N251 H357 F358 R363 V364	N251-L361 HydrophobicContact CB-CD1 4.08Å; N251-L361 WeakPolarHBondContact ND2-CD1 3.24Å; H357-L361 PolarHBondContact O-N 3.24Å; F358-L361 HydrophobicContact CD1-CD1 4.11Å; F358-L361 HydrophobicContact CE1-CD1 4.47Å; F358-L361 HydrophobicContact CG-CD1 4.4Å; F358-L361 PolarHBondContact O-N 3.35Å; F358-L361 VanDerWaalsContact O-N 3.09Å; L361-R363 PolarHBondContact O-N 2.98Å; L361-R363 VanDerWaalsContact O-N 3.07Å; L361-V364 PolarHBondContact O-N 3.35Å
362	E	72.8	Confident	65.9	Low	39 Å²	39	99.4 Å²	99.4	18%	0.182	49%	0.489	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-17.4	176.1	-69.7	-175.7	-171.4	0	0	114.5	T328 N330 F358 K360	T328-E362 VanDerWaalsContact CB-OE1 3.28Å; T328-E362 WeakPolarHBondContact CB-OE1 3.36Å; T328-E362 WeakPolarHBondContact CG2-OE1 3.39Å; T328-E362 VanDerWaalsContact OG1-CD 3.29Å; T328-E362 PolarHBondContact OG1-OE1 3.43Å; T328-E362 PolarHBondContact OG1-OE2 3.01Å; N330-E362 PolarHBondContact ND2-OE2 3.39Å; F358-E362 PolarHBondContact O-N 2.89Å; F358-E362 VanDerWaalsContact O-N 3.16Å; K360-E362 VanDerWaalsContact C-N 3.34Å; K360-E362 PolarHBondContact O-N 3.26Å
363	R	67.8	Low	63.2	Low	172 Å²	172	99.7 Å²	99.7	65%	0.649	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-14.6	-177.8	-65.9	177.1	-165.8	-153.8	5.1	114.2	E359 K360 L361	E359-R363 WeakPolarHBondContact O-CD 3.19Å; E359-R363 VanDerWaalsContact O-CG 3.31Å; E359-R363 WeakPolarHBondContact O-CG 3.39Å; E359-R363 PolarHBondContact O-NE 3.47Å; K360-R363 PolarHBondContact O-N 3.39Å; L361-R363 PolarHBondContact O-N 2.98Å; L361-R363 VanDerWaalsContact O-N 3.07Å
364	V	54.1	Low	60.3	Low	75 Å²	75	110.6 Å²	110.6	46%	0.455	54%	0.535	S	S	.	.			trans	-87.2	-5.9	-162.2	164.9	0	0	0	0	114.6	K360 L361 G366	K360-V364 VanDerWaalsContact O-CG2 3.23Å; K360-V364 WeakPolarHBondContact O-CG2 3.48Å; K360-V364 PolarHBondContact O-N 3.26Å; L361-V364 PolarHBondContact O-N 3.35Å; V364-G366 PolarHBondContact O-N 2.72Å
365	D	49	Very low	58.7	Low	66 Å²	66	115.4 Å²	115.4	35%	0.353	56%	0.555	S	S	.	*			trans	-77.6	23.2	175.4	-71.8	-27.3	0	0	0	114.6	N116 N244	N116-D365 PolarHBondContact ND2-OD2 3.46Å; N244-D365 PolarHBondContact ND2-OD1 2.99Å; N244-D365 PolarHBondContact ND2-OD2 3.43Å
366	G	42.4	Very low	56.8	Low	23 Å²	23	118.3 Å²	118.3	24%	0.237	57%	0.573	C	S	.	*	S	Bend	trans	-77.5	143.8	155.4	0	0	0	0	0	109.5	V364 K368	V364-G366 PolarHBondContact O-N 2.72Å; G366-K368 PolarHBondContact O-N 3.39Å
367	P	35.3	Very low	55.1	Low	125 Å²	125	117.3 Å²	117.3	81%	0.812	57%	0.572	S	S	*	*			trans	-59.4	116.4	-175.8	23.9	-33.4	0	0	0	110.7	Q369	P367-Q369 VanDerWaalsContact C-N 3.34Å; P367-Q369 PolarHBondContact O-N 3.09Å
368	K	38.5	Very low	53.1	Low	176 Å²	176	118.5 Å²	118.5	77%	0.765	58%	0.578	S	S	*	*			trans	-63.9	96.4	170.7	-72.4	-178.8	-178	172.6	0	108.5	G366 C370	G366-K368 PolarHBondContact O-N 3.39Å; K368-C370 PolarHBondContact O-N 2.9Å
369	Q	33.9	Very low	50.9	Low	173 Å²	173	125.3 Å²	125.3	81%	0.808	61%	0.612	S	S	*	*			trans	-64.8	103.2	168.9	-155.9	170.9	22.9	0	0	107.1	P367 L371	P367-Q369 VanDerWaalsContact C-N 3.34Å; P367-Q369 PolarHBondContact O-N 3.09Å; Q369-L371 VanDerWaalsContact C-N 3.32Å; Q369-L371 PolarHBondContact O-N 3.22Å
370	C	34.4	Very low	48.5	Very low	107 Å²	107	129.6 Å²	129.6	72%	0.723	63%	0.634	S	S	*	*			trans	-69.1	94.9	177.1	-165.7	0	0	0	0	107.4	K368 L372	K368-C370 PolarHBondContact O-N 2.9Å; C370-L372 PolarHBondContact O-N 3.16Å
371	L	35.2	Very low	46	Very low	153 Å²	153	128.6 Å²	128.6	80%	0.801	64%	0.635	S	S	*	*			trans	-68.6	77.1	168.8	-82	165	0	0	0	108.7	Q369 M373	Q369-L371 VanDerWaalsContact C-N 3.32Å; Q369-L371 PolarHBondContact O-N 3.22Å; L371-M373 VanDerWaalsContact C-N 3.27Å; L371-M373 PolarHBondContact O-N 3.5Å
372	L	33.7	Very low	43.5	Very low	148 Å²	148	135.2 Å²	135.2	78%	0.775	67%	0.666	S	S	*	*			trans	-60.4	95.1	155.9	-96.3	153.5	0	0	0	107.1	C370 R374	C370-L372 PolarHBondContact O-N 3.16Å; L372-R374 PolarHBondContact O-N 3.12Å
373	M	35.6	Very low	41.1	Very low	183 Å²	183	143.2 Å²	143.2	90%	0.901	71%	0.706	S	S	*	*			trans	-56.5	126.8	162.8	-76.1	-177.3	165.8	0	0	108.6	L371	L371-M373 VanDerWaalsContact C-N 3.27Å; L371-M373 PolarHBondContact O-N 3.5Å
374	R	33	Very low	38.7	Very low	317 Å²	317	140.5 Å²	140.5	100%	1.196	71%	0.712	S	S	*	*			trans	-126.1	0	159.9	-90.1	-169.7	170	-170	-2	107.5	L372	L372-R374 PolarHBondContact O-N 3.12Å

Retrieved 374 of 374 residues in 75.3 ms (Link to these results)

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