G4VRP8_SCHMA Loading...

Putative polypyrimidine tract binding protein

AlphaFold DB , UniProt , Accession G4VRP8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 584 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	30.9	Very low	33	Very low	240 Å²	240	188.1 Å²	188.1	100%	1.182	88%	0.881	S	S	*	*				0	109.3	0	-102	165.9	62.8	0	0	109.4
2	K	34.2	Very low	32.5	Very low	203 Å²	203	185.5 Å²	185.5	88%	0.883	88%	0.876	S	S	*	*			trans	60.2	158.9	169.1	-64.2	-174.1	175.2	-176.8	0	118.3
3	R	30.9	Very low	32.5	Very low	225 Å²	225	180.3 Å²	180.3	85%	0.849	86%	0.864	S	S	*	*			trans	79.8	140.7	-175.5	-49.7	169.4	176.3	159.9	-1.7	112.5
4	H	37.4	Very low	32.6	Very low	165 Å²	165	180 Å²	180	76%	0.764	86%	0.861	S	S	*	*			cis	-135.9	140.2	26.8	-99.3	-86.9	0	0	0	115.8
5	D	33	Very low	32.4	Very low	155 Å²	155	176.7 Å²	176.7	83%	0.829	86%	0.856	S	S	*	*			trans	-67.6	129.6	146.9	-77.4	-75.4	0	0	0	109.9
6	T	35	Very low	32.2	Very low	137 Å²	137	173.2 Å²	173.2	84%	0.84	85%	0.852	S	S	*	*			trans	-169.7	98.9	139.8	11.4	0	0	0	0	112.1
7	M	29.6	Very low	32	Very low	198 Å²	198	169.9 Å²	169.9	98%	0.975	84%	0.844	S	S	*	*			trans	-150.9	82.6	153.8	-142.8	-176.3	-159.9	0	0	111
8	K	33.1	Very low	31.9	Very low	193 Å²	193	167.8 Å²	167.8	84%	0.839	84%	0.842	S	S	*	*			trans	-129.8	127.1	168.2	-86.4	-171.6	176.3	-178.1	0	110.4
9	Q	30.6	Very low	31.9	Very low	166 Å²	166	166.2 Å²	166.2	78%	0.776	84%	0.841	S	S	*	*			trans	70.3	104.3	135.6	-159.2	167	8.8	0	0	117.8
10	R	35.9	Very low	31.6	Very low	260 Å²	260	164.6 Å²	164.6	98%	0.981	84%	0.835	S	S	*	*			trans	-142.6	143.1	148.1	-106	166.3	-164.6	-164.9	2.1	110.8
11	V	32.1	Very low	31.7	Very low	127 Å²	127	161.9 Å²	161.9	77%	0.77	83%	0.831	S	S	*	*			trans	-114	155.1	-162.8	170.1	0	0	0	0	110.1
12	L	27.5	Very low	31.5	Very low	157 Å²	157	155.2 Å²	155.2	82%	0.822	81%	0.808	S	S	*	*			trans	-85.6	130.6	179.9	-74.7	158.3	0	0	0	112.9
13	T	32.5	Very low	31.4	Very low	118 Å²	118	156.9 Å²	156.9	72%	0.724	81%	0.809	S	S	*	*			trans	-151.5	154.4	153.3	47.9	0	0	0	0	106.4
14	E	33.4	Very low	31.7	Very low	176 Å²	176	155.8 Å²	155.8	82%	0.822	81%	0.811	S	S	*	*			cis	-155.2	-176.7	-12.5	-117.6	161.5	-143.9	0	0	108.7
15	V	29.4	Very low	31.2	Very low	130 Å²	130	157 Å²	157	79%	0.788	82%	0.817	S	S	*	*			trans	-140.8	140.6	175.2	-161	0	0	0	0	109.6
16	P	30.1	Very low	31.4	Very low	121 Å²	121	155 Å²	155	79%	0.786	82%	0.815	S	S	*	*				-146.6	132.6	120.8	29.7	-9.8	0	0	0	117.4
17	T	29.1	Very low	31.4	Very low	118 Å²	118	159 Å²	159	72%	0.724	82%	0.821	S	S	*	*			trans	1.8	153.8	144.2	58.3	0	0	0	0	125.3
18	V	29.3	Very low	31.7	Very low	132 Å²	132	159.4 Å²	159.4	80%	0.8	82%	0.817	S	S	*	*			trans	72.3	137.9	162.2	-136.8	0	0	0	0	113.9
19	V	32.6	Very low	31.8	Very low	136 Å²	136	154.7 Å²	154.7	82%	0.824	81%	0.814	S	S	*	*			cis	-148.5	155	44.9	-171	0	0	0	0	115.1
20	D	26.6	Very low	31.7	Very low	135 Å²	135	157.6 Å²	157.6	72%	0.722	82%	0.818	S	S	*	*			trans	-36.5	156.5	171.3	-148.8	-13.4	0	0	0	120.6
21	S	32.1	Very low	31.8	Very low	108 Å²	108	152.2 Å²	152.2	76%	0.755	81%	0.808	S	S	*	*			trans	169.4	98.3	131.6	-75.7	0	0	0	0	114.8
22	S	28.3	Very low	31.6	Very low	100 Å²	100	152.6 Å²	152.6	70%	0.699	81%	0.806	S	S	*	*			trans	28.6	113.5	141.7	65.1	0	0	0	0	122.2
23	R	30.8	Very low	31.7	Very low	237 Å²	237	150.9 Å²	150.9	89%	0.894	81%	0.807	S	S	*	*				177.2	119.2	126.1	-104.9	173.8	174.1	173.9	-1	112.1
24	F	36.4	Very low	31.6	Very low	203 Å²	203	150.9 Å²	150.9	89%	0.89	81%	0.807	S	S	*	*			trans	168.8	98.4	130.2	-105.8	-77.4	0	0	0	109.6
25	E	27.7	Very low	31.6	Very low	190 Å²	190	147.7 Å²	147.7	89%	0.888	80%	0.804	S	S	*	*			trans	-76.1	132.3	168.9	-69.2	-178.6	110.5	0	0	110.6
26	S	38.3	Very low	31.7	Very low	114 Å²	114	146.5 Å²	146.5	80%	0.797	80%	0.801	S	S	*	*			trans	-163.4	91.3	152.8	-86.6	0	0	0	0	111.2
27	K	34.7	Very low	32.1	Very low	221 Å²	221	148.3 Å²	148.3	96%	0.961	80%	0.804	S	S	*	*			trans	32.8	86.9	153.5	-64.3	177.2	178.4	176.6	0	116.7
28	K	34.4	Very low	33.1	Very low	205 Å²	205	148.3 Å²	148.3	89%	0.891	81%	0.809	S	S	*	*			trans	-118.6	109.4	159.9	-166.3	175.2	-175.2	-178.8	0	109.4	R30	K28-R30 PolarHBondContact O-N 3.37Å
29	A	35.4	Very low	34.6	Very low	94 Å²	94	145.7 Å²	145.7	78%	0.777	79%	0.79	S	S	*	*			trans	-62.4	134.2	174.5	0	0	0	0	0	110.2
30	R	28.1	Very low	36.4	Very low	228 Å²	228	143.9 Å²	143.9	86%	0.86	78%	0.781	S	S	*	*			trans	-60.6	135.6	165.3	-77.2	172.9	161.1	148.3	-8.9	108.3	K28	K28-R30 PolarHBondContact O-N 3.37Å
31	L	38.3	Very low	39.1	Very low	147 Å²	147	143.8 Å²	143.8	77%	0.77	78%	0.776	S	S	*	*			trans	-123.9	106.2	163.2	-154.2	81.2	0	0	0	106.9
32	D	28.7	Very low	41.7	Very low	135 Å²	135	139 Å²	139	72%	0.722	74%	0.743	S	S	*	*			trans	-68	141.5	-176.6	-64.7	-58.5	0	0	0	111.7	T34	D32-T34 PolarHBondContact O-N 3.41Å
33	S	29.2	Very low	44.7	Very low	121 Å²	121	137.8 Å²	137.8	85%	0.846	72%	0.723	S	S	*	*			trans	-88.5	87	175.7	53.3	0	0	0	0	110.5
34	T	31.1	Very low	47.6	Very low	118 Å²	118	126.5 Å²	126.5	72%	0.724	68%	0.681	S	S	*	*			trans	-147.1	143.4	171.9	-38	0	0	0	0	112.2	D32	D32-T34 PolarHBondContact O-N 3.41Å
35	S	33.2	Very low	50.3	Low	109 Å²	109	116.8 Å²	116.8	76%	0.762	64%	0.638	S	S	*	*			trans	60.2	109.3	161	45.3	0	0	0	0	119
36	S	32.1	Very low	53.3	Low	104 Å²	104	110 Å²	110	73%	0.727	61%	0.606	S	S	*	*			trans	-63.6	162	154.5	42.8	0	0	0	0	113.1
37	N	38.2	Very low	55.8	Low	159 Å²	159	104.6 Å²	104.6	85%	0.85	57%	0.568	S	S	*	*	S	Bend	trans	77.2	42.9	158.6	-63.3	10.2	0	0	0	121.1
38	S	49.9	Very low	58.2	Low	119 Å²	119	96.9 Å²	96.9	83%	0.832	53%	0.533	S	S	*	.			trans	-170.6	66.6	146.2	63.7	0	0	0	0	113.3
39	L	60.5	Low	60.5	Low	76 Å²	76	89.5 Å²	89.5	40%	0.398	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-87.9	138	160.9	-77.3	168.5	0	0	0	108.3	F116 K118	L39-F116 WeakPolarHBondContact CD1-O 3.42Å; L39-K118 HydrophobicContact CD2-CG 3.91Å
40	P	71.2	Confident	62.8	Low	99 Å²	99	85.4 Å²	85.4	64%	0.643	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-62.4	145.1	176.7	27.2	-34.2	0	0	0	110.4
41	E	81.5	Confident	65.2	Low	132 Å²	132	74.7 Å²	74.7	62%	0.617	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-58.1	138.3	175.5	-72.8	152.9	161.5	0	0	110.1	L88 F116	E41-L88 HydrophobicContact CB-CD1 4.3Å; E41-F116 HydrophobicContact CB-CE1 4.47Å; E41-F116 HydrophobicContact CB-CE2 4.4Å; E41-F116 HydrophobicContact CB-CZ 4.22Å; E41-F116 HydrophobicContact CG-CD2 4.33Å; E41-F116 HydrophobicContact CG-CE2 3.72Å; E41-F116 HydrophobicContact CG-CZ 3.87Å
42	S	87.9	Confident	67.1	Low	9 Å²	9	70.8 Å²	70.8	6%	0.063	43%	0.425	C	S	.	.			trans	-146.6	145.8	-173.3	175.9	0	0	0	0	110.5	V44 L88 A91 F116 Y119 S120	S42-V44 PolarHBondContact O-N 3.18Å; S42-V44 VanDerWaalsContact O-N 3.13Å; S42-V44 PolarHBondContact OG-N 2.97Å; S42-L88 VanDerWaalsContact C-CD1 3.42Å; S42-A91 WeakPolarHBondContact O-CB 3.22Å; S42-F116 VanDerWaalsContact N-CD1 3.33Å; S42-F116 WeakPolarHBondContact O-CD1 3.47Å; S42-F116 VanDerWaalsContact O-CE1 3.25Å; S42-F116 WeakPolarHBondContact O-CE1 3.3Å; S42-Y119 PolarHBondContact OG-O 3.17Å; S42-S120 WeakPolarHBondContact OG-CA 3.43Å
43	R	90.6	Very high	69.7	Low	73 Å²	73	68 Å²	68	28%	0.275	41%	0.41	S	S	.	.	S	Bend	trans	-60.7	-17.4	169	-63.5	-165.3	-60.1	126	19.8	112.9	E84 M85 D86 L88	R43-E84 HydrophobicContact CB-CG 4.5Å; R43-E84 IonicContact CZ-OE1 3.2Å; R43-E84 IonicContact NH1-OE1 2.76Å; R43-E84 IonicContact NH2-OE1 3.15Å; R43-E84 PolarHBondContact NH2-OE1 3.31Å; R43-E84 CarbonylContact O-C 3.52Å; R43-E84 WeakPolarHBondContact O-CA 3.2Å; R43-M85 PolarHBondContact NH1-O 2.9Å; R43-M85 PolarHBondContact O-N 3.19Å; R43-D86 WeakPolarHBondContact CD-O 3.27Å; R43-D86 PolarHBondContact NH1-O 3.13Å; R43-L88 HydrophobicContact CG-CB 4.14Å; R43-L88 HydrophobicContact CG-CD1 4.24Å
44	V	92.2	Very high	72.2	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	122.1	179.9	-173	0	0	0	0	111.2	S42 L82 I83 E84 S117 Y119 L122	S42-V44 PolarHBondContact O-N 3.18Å; S42-V44 VanDerWaalsContact O-N 3.13Å; S42-V44 PolarHBondContact OG-N 2.97Å; V44-L82 HydrophobicContact CG1-CB 4.15Å; V44-L82 HydrophobicContact CG1-CD2 4.4Å; V44-I83 CarbonylContact C-O 3.13Å; V44-I83 VanDerWaalsContact CA-O 3.29Å; V44-I83 WeakPolarHBondContact CA-O 3.31Å; V44-E84 HydrophobicContact CG2-CB 4Å; V44-E84 HydrophobicContact CG2-CG 3.95Å; V44-S117 WeakPolarHBondContact O-CB 3.48Å; V44-S117 PolarHBondContact O-N 3.22Å; V44-Y119 WeakPolarHBondContact CB-O 3.48Å; V44-Y119 WeakPolarHBondContact CG2-O 3.32Å; V44-L122 HydrophobicContact CG1-CD1 4.17Å; V44-L122 HydrophobicContact CG1-CD2 3.73Å; V44-L122 HydrophobicContact CG1-CG 3.96Å; V44-L122 HydrophobicContact CG2-CD2 4.29Å; V44-L122 HydrophobicContact CG2-CG 4.02Å
45	L	92.2	Very high	74.9	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	136.8	173.5	-62.5	176.2	0	0	0	111.2	L82 I83 A91 M94 F95 V114 F116	L45-L82 CarbonylContact O-C 3.55Å; L45-L82 VanDerWaalsContact O-CA 3.3Å; L45-L82 WeakPolarHBondContact O-CA 3.24Å; L45-I83 PolarHBondContact N-O 2.64Å; L45-I83 PolarHBondContact O-N 3.33Å; L45-A91 HydrophobicContact CD1-CB 4.35Å; L45-A91 HydrophobicContact CD2-CB 4.41Å; L45-A91 HydrophobicContact CG-CB 4.2Å; L45-M94 HydrophobicContact CD1-CB 3.79Å; L45-M94 HydrophobicContact CD1-CE 4.18Å; L45-M94 HydrophobicContact CD1-CG 3.65Å; L45-M94 HydrophobicContact CD1-SD 3.61Å; L45-F95 HydrophobicContact CD2-CB 3.9Å; L45-V114 HydrophobicContact CB-CG1 4.31Å; L45-V114 HydrophobicContact CD1-CG1 4.31Å; L45-V114 HydrophobicContact CD2-CG1 4.49Å; L45-F116 HydrophobicContact CD2-CD1 3.55Å; L45-F116 HydrophobicContact CD2-CE1 3.72Å; L45-F116 HydrophobicContact CD2-CG 4.3Å
46	H	91.5	Very high	77.6	Confident	47 Å²	47	55.5 Å²	55.5	22%	0.218	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	115.7	174	-175.4	-179.7	0	0	0	109.9	R48 L82 Q115	H46-R48 PolarHBondContact CE1-NH2 2.8Å; H46-R48 PolarHBondContact ND1-NE 3.45Å; H46-R48 PolarHBondContact ND1-NH2 3.39Å; H46-R48 PolarHBondContact NE2-NE 2.87Å; H46-L82 HydrophobicContact CB-CD2 3.73Å; H46-Q115 PolarHBondContact N-O 3.14Å; H46-Q115 PolarHBondContact O-N 2.8Å
47	I	90.2	Very high	80.3	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	128.5	176.8	-51.1	178.6	0	0	0	109.1	L50 V59 L62 Q80 A81 I83 M94 L112 E113 V114	I47-L50 HydrophobicContact CG2-CD2 3.87Å; I47-L50 HydrophobicContact CG2-CG 4.17Å; I47-V59 HydrophobicContact CD1-CG1 4.46Å; I47-L62 HydrophobicContact CD1-CD1 4.21Å; I47-Q80 CarbonylContact O-C 3.56Å; I47-Q80 VanDerWaalsContact O-CA 3.29Å; I47-Q80 WeakPolarHBondContact O-CA 3.43Å; I47-A81 PolarHBondContact N-O 2.67Å; I47-A81 PolarHBondContact O-N 2.9Å; I47-I83 HydrophobicContact CD1-CD1 3.55Å; I47-I83 HydrophobicContact CD1-CG1 4.07Å; I47-M94 HydrophobicContact CD1-CE 3.96Å; I47-L112 HydrophobicContact CG2-CB 4.17Å; I47-L112 HydrophobicContact CG2-CD1 4.11Å; I47-E113 CarbonylContact C-O 3.59Å; I47-E113 WeakPolarHBondContact CA-O 3.32Å; I47-V114 HydrophobicContact CG1-CG2 4.48Å
48	R	86.9	Confident	82.7	Confident	60 Å²	60	48.8 Å²	48.8	23%	0.226	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	161.7	179.4	-49.3	-179	-177.2	145.8	13	111.5	H46 L50 Q80 L112 E113	H46-R48 PolarHBondContact CE1-NH2 2.8Å; H46-R48 PolarHBondContact ND1-NE 3.45Å; H46-R48 PolarHBondContact ND1-NH2 3.39Å; H46-R48 PolarHBondContact NE2-NE 2.87Å; R48-L50 VanDerWaalsContact C-N 3.35Å; R48-Q80 HydrophobicContact CB-CG 4.35Å; R48-Q80 HydrophobicContact CG-CG 4.16Å; R48-L112 WeakPolarHBondContact O-CA 3.41Å; R48-E113 HydrophobicContact CB-CB 4.26Å; R48-E113 PolarHBondContact N-O 3.16Å; R48-E113 IonicContact NH1-OE2 2.74Å; R48-E113 PolarHBondContact O-N 2.74Å; R48-E113 VanDerWaalsContact O-N 3.12Å
49	G	80.8	Confident	84.6	Confident	50 Å²	50	43.1 Å²	43.1	52%	0.515	24%	0.235	S	C	.	.	S	Bend	trans	82.1	12.5	-179.9	0	0	0	0	0	113.9	L112	G49-L112 VanDerWaalsContact O-CD2 3.29Å; G49-L112 WeakPolarHBondContact O-CD2 3.36Å
50	L	83.9	Confident	86	Confident	8 Å²	8	39.5 Å²	39.5	4%	0.042	22%	0.216	C	C	.	.			trans	-59.7	154	-178.4	-65.8	169	0	0	0	111.5	I47 R48 V54 V59 L74 C79 A81 L106 L112	I47-L50 HydrophobicContact CG2-CD2 3.87Å; I47-L50 HydrophobicContact CG2-CG 4.17Å; R48-L50 VanDerWaalsContact C-N 3.35Å; L50-V54 HydrophobicContact CB-CG1 4.09Å; L50-V54 HydrophobicContact CD1-CG1 4.36Å; L50-V59 HydrophobicContact CD1-CG2 4.1Å; L50-V59 HydrophobicContact CD2-CG2 4.17Å; L50-L74 HydrophobicContact CD1-CD1 3.99Å; L50-C79 HydrophobicContact CB-CB 4.45Å; L50-C79 WeakPolarHBondContact CB-O 3.37Å; L50-C79 PolarHBondContact N-O 2.76Å; L50-C79 VanDerWaalsContact N-O 3.15Å; L50-C79 WeakPolarHBondContact O-CB 3.11Å; L50-A81 HydrophobicContact CD1-CB 3.6Å; L50-L106 HydrophobicContact CD2-CD1 3.73Å; L50-L112 HydrophobicContact CD2-CD1 3.78Å; L50-L112 HydrophobicContact CD2-CD2 3.91Å; L50-L112 HydrophobicContact CD2-CG 4.5Å; L50-L112 HydrophobicContact CG-CD2 4.36Å
51	P	79.7	Confident	87	Confident	3 Å²	3	36.6 Å²	36.6	2%	0.019	20%	0.197	C	C	.	.			trans	-58	140.4	166.4	-21	31.3	0	0	0	111.4	D53 V54 L106 K109	P51-D53 VanDerWaalsContact CB-OD1 3.26Å; P51-D53 WeakPolarHBondContact CB-OD1 3.47Å; P51-D53 PolarHBondContact O-N 2.76Å; P51-D53 VanDerWaalsContact O-N 3.12Å; P51-V54 HydrophobicContact CB-CB 4.19Å; P51-V54 HydrophobicContact CG-CB 4.39Å; P51-V54 WeakPolarHBondContact O-CB 3.25Å; P51-V54 WeakPolarHBondContact O-CG1 3.35Å; P51-V54 PolarHBondContact O-N 3.05Å; P51-V54 VanDerWaalsContact O-N 3.1Å; P51-L106 HydrophobicContact CG-CB 4.09Å; P51-K109 HydrophobicContact CB-CD 4.23Å; P51-K109 HydrophobicContact CG-CD 4.22Å
52	S	78.2	Confident	87.4	Confident	64 Å²	64	30.4 Å²	30.4	45%	0.448	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.5	175.9	54.6	0	0	0	0	114
53	D	81.8	Confident	87.6	Confident	77 Å²	77	30 Å²	30	41%	0.412	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	9.4	-178.1	56.7	-48.9	0	0	0	113.1	P51 R107 K109	P51-D53 VanDerWaalsContact CB-OD1 3.26Å; P51-D53 WeakPolarHBondContact CB-OD1 3.47Å; P51-D53 PolarHBondContact O-N 2.76Å; P51-D53 VanDerWaalsContact O-N 3.12Å; D53-R107 IonicContact OD2-CZ 3.64Å; D53-R107 IonicContact OD2-NH1 2.61Å; D53-R107 PolarHBondContact OD2-NH1 2.89Å; D53-K109 IonicContact OD1-NZ 3.53Å; D53-K109 PolarHBondContact OD1-NZ 3.22Å
54	V	83.6	Confident	87.6	Confident	5 Å²	5	26.6 Å²	26.6	3%	0.03	15%	0.152	C	C	.	.			trans	-64	144.2	176.7	80.8	0	0	0	0	110.8	L50 P51 E58 V59 L74 R76 L106	L50-V54 HydrophobicContact CB-CG1 4.09Å; L50-V54 HydrophobicContact CD1-CG1 4.36Å; P51-V54 HydrophobicContact CB-CB 4.19Å; P51-V54 HydrophobicContact CG-CB 4.39Å; P51-V54 WeakPolarHBondContact O-CB 3.25Å; P51-V54 WeakPolarHBondContact O-CG1 3.35Å; P51-V54 PolarHBondContact O-N 3.05Å; P51-V54 VanDerWaalsContact O-N 3.1Å; V54-E58 HydrophobicContact CG2-CB 3.84Å; V54-V59 HydrophobicContact CG1-CG2 4.12Å; V54-V59 HydrophobicContact CG2-CG2 3.77Å; V54-L74 HydrophobicContact CG1-CD1 3.84Å; V54-L74 HydrophobicContact CG1-CD2 4.11Å; V54-R76 PolarHBondContact O-NH1 2.99Å; V54-L106 HydrophobicContact CG2-CD1 3.82Å
55	N	86.8	Confident	87.5	Confident	57 Å²	57	26.9 Å²	26.9	31%	0.305	15%	0.154	S	C	.	.			trans	-104.2	166.7	171	68.8	48.6	0	0	0	111.6	L57 E58 V59	N55-L57 VanDerWaalsContact C-N 3.28Å; N55-L57 PolarHBondContact O-N 2.99Å; N55-L57 WeakPolarHBondContact OD1-CA 3.22Å; N55-L57 WeakPolarHBondContact OD1-CB 3.47Å; N55-L57 PolarHBondContact OD1-N 3.25Å; N55-E58 PolarHBondContact N-OE2 2.87Å; N55-E58 VanDerWaalsContact N-OE2 3.17Å; N55-E58 PolarHBondContact ND2-OE2 3.38Å; N55-E58 PolarHBondContact O-N 3.31Å; N55-E58 WeakPolarHBondContact OD1-CG 3.23Å; N55-E58 PolarHBondContact OD1-N 3.08Å; N55-V59 PolarHBondContact O-N 3.49Å
56	E	89	Confident	87.5	Confident	23 Å²	23	27.6 Å²	27.6	11%	0.107	16%	0.157	C	C	.	.	H	α-helix	trans	-61.3	-35.7	-178.4	-69.8	76.8	-175.6	0	0	112.1	V59 S60 M72 L74 R76 A130 A131 A134	E56-V59 PolarHBondContact O-N 3.47Å; E56-S60 PolarHBondContact O-N 2.95Å; E56-S60 PolarHBondContact O-OG 3.36Å; E56-M72 HydrophobicContact CB-CE 3.79Å; E56-M72 HydrophobicContact CG-CE 4.38Å; E56-M72 VanDerWaalsContact O-CE 3.32Å; E56-M72 WeakPolarHBondContact O-CE 3.28Å; E56-L74 HydrophobicContact CG-CB 4.29Å; E56-L74 HydrophobicContact CG-CD2 4.08Å; E56-R76 IonicContact OE1-CZ 3.91Å; E56-R76 IonicContact OE1-NE 2.8Å; E56-R76 IonicContact OE1-NH2 3.79Å; E56-R76 PolarHBondContact OE1-NH2 3.43Å; E56-R76 IonicContact OE2-CZ 2.75Å; E56-R76 IonicContact OE2-NH2 3.98Å; E56-R76 PolarHBondContact OE2-NH2 2.89Å; E56-A130 HydrophobicContact CG-CB 4.45Å; E56-A131 HydrophobicContact CG-CB 4.22Å; E56-A134 HydrophobicContact CB-CB 3.76Å
57	L	89.8	Confident	87.4	Confident	81 Å²	81	25.5 Å²	25.5	42%	0.424	15%	0.149	S	C	.	.	H	α-helix	trans	-68	-40.1	179.4	-174.3	67.2	0	0	0	112.6	N55 V59 S60 T61 A134 E137	N55-L57 VanDerWaalsContact C-N 3.28Å; N55-L57 PolarHBondContact O-N 2.99Å; N55-L57 WeakPolarHBondContact OD1-CA 3.22Å; N55-L57 WeakPolarHBondContact OD1-CB 3.47Å; N55-L57 PolarHBondContact OD1-N 3.25Å; L57-V59 PolarHBondContact O-N 3.22Å; L57-S60 PolarHBondContact O-N 3.37Å; L57-S60 PolarHBondContact O-OG 2.84Å; L57-T61 VanDerWaalsContact O-CG2 3.28Å; L57-T61 WeakPolarHBondContact O-CG2 3.44Å; L57-T61 PolarHBondContact O-N 3.5Å; L57-T61 PolarHBondContact O-OG1 2.66Å; L57-A134 HydrophobicContact CB-CB 4.38Å; L57-E137 HydrophobicContact CD1-CG 4.39Å
58	E	88	Confident	87.5	Confident	41 Å²	41	27 Å²	27	19%	0.192	16%	0.159	C	C	.	.	H	α-helix	trans	-67.7	-22.4	174.7	-73.2	175.3	138.9	0	0	113.3	V54 N55 T61 L106 R107	V54-E58 HydrophobicContact CG2-CB 3.84Å; N55-E58 PolarHBondContact N-OE2 2.87Å; N55-E58 VanDerWaalsContact N-OE2 3.17Å; N55-E58 PolarHBondContact ND2-OE2 3.38Å; N55-E58 PolarHBondContact O-N 3.31Å; N55-E58 WeakPolarHBondContact OD1-CG 3.23Å; N55-E58 PolarHBondContact OD1-N 3.08Å; E58-T61 PolarHBondContact O-OG1 3.04Å; E58-T61 VanDerWaalsContact O-OG1 3.12Å; E58-L106 HydrophobicContact CB-CD2 4.46Å; E58-R107 IonicContact OE1-CZ 3.46Å; E58-R107 IonicContact OE1-NE 3.92Å; E58-R107 PolarHBondContact OE1-NE 2.98Å; E58-R107 IonicContact OE1-NH2 3.64Å; E58-R107 PolarHBondContact OE1-NH2 3.39Å; E58-R107 IonicContact OE2-CZ 2.95Å; E58-R107 IonicContact OE2-NE 3.86Å; E58-R107 IonicContact OE2-NH2 3.73Å; E58-R107 PolarHBondContact OE2-NH2 2.95Å
59	V	89.7	Confident	87.8	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-85	-40.8	173.9	175.9	0	0	0	0	110.2	I47 L50 V54 N55 E56 L57 T61 L62 M72 L74 A81 I83	I47-V59 HydrophobicContact CD1-CG1 4.46Å; L50-V59 HydrophobicContact CD1-CG2 4.1Å; L50-V59 HydrophobicContact CD2-CG2 4.17Å; V54-V59 HydrophobicContact CG1-CG2 4.12Å; V54-V59 HydrophobicContact CG2-CG2 3.77Å; N55-V59 PolarHBondContact O-N 3.49Å; E56-V59 PolarHBondContact O-N 3.47Å; L57-V59 PolarHBondContact O-N 3.22Å; V59-T61 VanDerWaalsContact C-N 3.34Å; V59-T61 PolarHBondContact O-N 2.94Å; V59-L62 WeakPolarHBondContact O-CB 3.47Å; V59-L62 PolarHBondContact O-N 3.25Å; V59-M72 HydrophobicContact CB-SD 4.06Å; V59-M72 HydrophobicContact CG1-SD 3.72Å; V59-L74 HydrophobicContact CG2-CD1 4.32Å; V59-A81 HydrophobicContact CG1-CB 3.67Å; V59-I83 HydrophobicContact CG1-CD1 3.84Å; V59-I83 HydrophobicContact CG1-CG1 4.18Å
60	S	91.3	Very high	88.3	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-68.4	-30.6	178.3	68.1	0	0	0	0	112.9	E56 L57 L62 A63 I64 A134	E56-S60 PolarHBondContact O-N 2.95Å; E56-S60 PolarHBondContact O-OG 3.36Å; L57-S60 PolarHBondContact O-N 3.37Å; L57-S60 PolarHBondContact O-OG 2.84Å; S60-L62 PolarHBondContact O-N 3.36Å; S60-A63 PolarHBondContact O-N 2.75Å; S60-I64 PolarHBondContact O-N 2.94Å; S60-A134 WeakPolarHBondContact CB-O 3.45Å; S60-A134 PolarHBondContact OG-O 3.47Å
61	T	90.8	Very high	88.6	Confident	38 Å²	38	25.2 Å²	25.2	23%	0.233	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-23.4	174.5	53.9	0	0	0	0	114.4	L57 E58 V59 A63 I64 L214	L57-T61 VanDerWaalsContact O-CG2 3.28Å; L57-T61 WeakPolarHBondContact O-CG2 3.44Å; L57-T61 PolarHBondContact O-N 3.5Å; L57-T61 PolarHBondContact O-OG1 2.66Å; E58-T61 PolarHBondContact O-OG1 3.04Å; E58-T61 VanDerWaalsContact O-OG1 3.12Å; V59-T61 VanDerWaalsContact C-N 3.34Å; V59-T61 PolarHBondContact O-N 2.94Å; T61-A63 VanDerWaalsContact C-N 3.29Å; T61-A63 PolarHBondContact O-N 2.71Å; T61-I64 HydrophobicContact CG2-CD1 3.94Å; T61-L214 WeakPolarHBondContact O-CD1 3.32Å
62	L	89.7	Confident	89.1	Confident	2 Å²	2	25.1 Å²	25.1	1%	0.01	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-28.3	173.4	-60.9	178.5	0	0	0	112.3	I47 V59 S60 F66 M94 Y98 P104 L106 L112	I47-L62 HydrophobicContact CD1-CD1 4.21Å; V59-L62 WeakPolarHBondContact O-CB 3.47Å; V59-L62 PolarHBondContact O-N 3.25Å; S60-L62 PolarHBondContact O-N 3.36Å; L62-F66 WeakPolarHBondContact O-CD2 3.3Å; L62-F66 WeakPolarHBondContact O-CE2 3.28Å; L62-M94 HydrophobicContact CB-CE 4.27Å; L62-Y98 HydrophobicContact CB-CE2 4.2Å; L62-Y98 VanDerWaalsContact O-CE2 3.31Å; L62-Y98 WeakPolarHBondContact O-CE2 3.17Å; L62-Y98 PolarHBondContact O-OH 3.34Å; L62-P104 HydrophobicContact CD2-CB 4Å; L62-L106 HydrophobicContact CD1-CD1 4.12Å; L62-L106 HydrophobicContact CD1-CG 4.4Å; L62-L106 HydrophobicContact CD2-CD2 4.22Å; L62-L106 HydrophobicContact CD2-CG 4.49Å; L62-L112 HydrophobicContact CD1-CD1 3.83Å
63	A	92.2	Very high	89.6	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-22.8	-177.3	0	0	0	0	0	113.6	S60 T61 P65 F66 G67 I69 I83 M85 M94	S60-A63 PolarHBondContact O-N 2.75Å; T61-A63 VanDerWaalsContact C-N 3.29Å; T61-A63 PolarHBondContact O-N 2.71Å; A63-P65 VanDerWaalsContact C-CD 3.42Å; A63-P65 VanDerWaalsContact C-N 3.31Å; A63-P65 VanDerWaalsContact O-N 3.11Å; A63-F66 PolarHBondContact O-N 3.42Å; A63-G67 PolarHBondContact O-N 2.81Å; A63-I69 HydrophobicContact CB-CD1 3.75Å; A63-I69 HydrophobicContact CB-CG1 3.71Å; A63-I83 HydrophobicContact CB-CD1 4.22Å; A63-I83 HydrophobicContact CB-CG2 4.21Å; A63-M85 HydrophobicContact CB-CE 4.12Å; A63-M85 HydrophobicContact CB-SD 3.84Å; A63-M94 HydrophobicContact CB-CE 4.29Å; A63-M94 HydrophobicContact CB-SD 3.8Å
64	I	91.7	Very high	89.9	Confident	2 Å²	2	21.5 Å²	21.5	1%	0.01	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.2	-42.8	-177.6	-65.4	175.3	0	0	0	113.9	S60 T61 F66 A138 Q141 F142 L214	S60-I64 PolarHBondContact O-N 2.94Å; T61-I64 HydrophobicContact CG2-CD1 3.94Å; I64-F66 PolarHBondContact O-N 2.8Å; I64-A138 HydrophobicContact CD1-CB 3.97Å; I64-A138 HydrophobicContact CG1-CB 3.62Å; I64-Q141 HydrophobicContact CD1-CB 4.07Å; I64-Q141 HydrophobicContact CG2-CB 4.11Å; I64-F142 HydrophobicContact CG2-CB 4.33Å; I64-F142 WeakPolarHBondContact O-CD2 3.31Å; I64-L214 HydrophobicContact CB-CD1 3.92Å; I64-L214 HydrophobicContact CD1-CD1 4.42Å; I64-L214 HydrophobicContact CG2-CD1 4.05Å
65	P	89.5	Confident	90	Very high	6 Å²	6	23.9 Å²	23.9	4%	0.039	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-14.2	-177.1	-25.5	39.5	0	0	0	115.6	A63 I207 H210 V211 L214	A63-P65 VanDerWaalsContact C-CD 3.42Å; A63-P65 VanDerWaalsContact C-N 3.31Å; A63-P65 VanDerWaalsContact O-N 3.11Å; P65-I207 HydrophobicContact CB-CG2 4.23Å; P65-H210 HydrophobicContact CB-CB 4.19Å; P65-H210 HydrophobicContact CG-CB 4.37Å; P65-V211 HydrophobicContact CB-CG2 3.82Å; P65-V211 HydrophobicContact CG-CG2 3.68Å; P65-L214 HydrophobicContact CG-CD1 3.85Å
66	F	91.6	Very high	89.5	Confident	15 Å²	15	27.2 Å²	27.2	7%	0.066	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-29.2	-166.9	-54.2	-77.2	0	0	0	114.2	L62 A63 I64 M85 S90 M94 Y97 Y98 I207 V211	L62-F66 WeakPolarHBondContact O-CD2 3.3Å; L62-F66 WeakPolarHBondContact O-CE2 3.28Å; A63-F66 PolarHBondContact O-N 3.42Å; I64-F66 PolarHBondContact O-N 2.8Å; F66-M85 HydrophobicContact CB-CE 4.39Å; F66-S90 VanDerWaalsContact O-CB 3.23Å; F66-S90 WeakPolarHBondContact O-CB 3.29Å; F66-M94 HydrophobicContact CB-CB 3.85Å; F66-M94 HydrophobicContact CD1-CB 4.1Å; F66-M94 HydrophobicContact CD2-CB 3.67Å; F66-M94 HydrophobicContact CD2-CG 3.67Å; F66-M94 HydrophobicContact CD2-SD 4.24Å; F66-M94 HydrophobicContact CE2-CB 4.27Å; F66-M94 HydrophobicContact CE2-CG 3.99Å; F66-M94 HydrophobicContact CG-CB 3.58Å; F66-M94 HydrophobicContact CG-CG 4.13Å; F66-Y97 VanDerWaalsContact CE1-CB 3.42Å; F66-Y97 HydrophobicContact CE1-CD1 4.04Å; F66-Y97 AromaticContact CE1-CD2 3.95Å; F66-Y97 HydrophobicContact CE1-CD2 3.95Å; F66-Y97 AromaticContact CE1-CG 3.54Å; F66-Y97 HydrophobicContact CE1-CG 3.54Å; F66-Y97 AromaticContact CZ-CD1 3.59Å; F66-Y97 HydrophobicContact CZ-CD1 3.59Å; F66-Y97 HydrophobicContact CZ-CD2 4.25Å; F66-Y97 HydrophobicContact CZ-CE1 4.24Å; F66-Y97 AromaticContact CZ-CG 3.61Å; F66-Y97 HydrophobicContact CZ-CG 3.61Å; F66-Y98 HydrophobicContact CD2-CE2 4.38Å; F66-Y98 HydrophobicContact CE2-CD2 4.2Å; F66-Y98 HydrophobicContact CE2-CE1 4.44Å; F66-Y98 AromaticContact CE2-CE2 3.5Å; F66-Y98 HydrophobicContact CE2-CE2 3.5Å; F66-Y98 VanDerWaalsContact CE2-CE2 3.5Å; F66-Y98 AromaticContact CE2-CZ 3.65Å; F66-Y98 HydrophobicContact CZ-CD2 4.45Å; F66-Y98 HydrophobicContact CZ-CE1 4.42Å; F66-Y98 HydrophobicContact CZ-CE2 4.06Å; F66-I207 HydrophobicContact CD1-CG2 4.09Å; F66-I207 HydrophobicContact CE1-CG2 3.51Å; F66-I207 HydrophobicContact CZ-CG2 4.08Å; F66-V211 HydrophobicContact CE2-CG2 4.33Å; F66-V211 HydrophobicContact CZ-CG2 3.96Å
67	G	90.1	Very high	88.7	Confident	4 Å²	4	35.9 Å²	35.9	4%	0.041	18%	0.183	C	C	.	.			trans	171.3	174.8	-178.2	0	0	0	0	0	114.2	A63 M85	A63-G67 PolarHBondContact O-N 2.81Å; G67-M85 WeakPolarHBondContact O-CE 3.29Å
68	S	92.8	Very high	88.1	Confident	30 Å²	30	36.9 Å²	36.9	21%	0.21	19%	0.189	C	C	.	.			trans	-67.2	139.2	168.3	-57.6	0	0	0	0	110.7	D86 N139 F142	S68-D86 WeakPolarHBondContact O-CB 3.29Å; S68-D86 PolarHBondContact O-N 2.95Å; S68-N139 WeakPolarHBondContact CA-OD1 2.95Å; S68-F142 WeakPolarHBondContact OG-CD1 3.15Å
69	I	93	Very high	87.8	Confident	3 Å²	3	36.4 Å²	36.4	2%	0.015	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	124.8	171.1	-51.9	168.3	0	0	0	107.9	A63 N71 I83 E84 M85 V135 A138 N139	A63-I69 HydrophobicContact CB-CD1 3.75Å; A63-I69 HydrophobicContact CB-CG1 3.71Å; I69-N71 VanDerWaalsContact CG2-O 3.31Å; I69-N71 WeakPolarHBondContact CG2-O 3.45Å; I69-I83 HydrophobicContact CB-CG2 4.49Å; I69-I83 HydrophobicContact CD1-CG2 4.44Å; I69-I83 HydrophobicContact CG1-CG2 4.13Å; I69-I83 HydrophobicContact CG2-CG2 3.7Å; I69-E84 CarbonylContact C-O 3.59Å; I69-E84 WeakPolarHBondContact CG2-O 3.38Å; I69-M85 HydrophobicContact CG1-SD 4.37Å; I69-V135 HydrophobicContact CB-CG1 4.07Å; I69-V135 HydrophobicContact CB-CG2 4.22Å; I69-V135 HydrophobicContact CD1-CG2 4.47Å; I69-V135 HydrophobicContact CG2-CG1 4.21Å; I69-V135 HydrophobicContact CG2-CG2 3.7Å; I69-V135 VanDerWaalsContact O-CG1 3.31Å; I69-V135 WeakPolarHBondContact O-CG1 3.36Å; I69-A138 HydrophobicContact CD1-CB 3.87Å; I69-N139 PolarHBondContact N-OD1 2.82Å; I69-N139 PolarHBondContact O-ND2 3.48Å
70	A	91.4	Very high	87.7	Confident	48 Å²	48	38.7 Å²	38.7	40%	0.397	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-38.6	172.1	0	0	0	0	0	111.8	E84	A70-E84 HydrophobicContact CB-CG 4.13Å; A70-E84 PolarHBondContact N-O 2.87Å
71	N	89.7	Confident	87.7	Confident	31 Å²	31	38.7 Å²	38.7	17%	0.166	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	160.1	179.5	-161.1	4	0	0	0	112.5	I69 E84 L122 N124	I69-N71 VanDerWaalsContact CG2-O 3.31Å; I69-N71 WeakPolarHBondContact CG2-O 3.45Å; N71-E84 HydrophobicContact CB-CB 4.11Å; N71-E84 PolarHBondContact N-O 3.34Å; N71-E84 PolarHBondContact O-N 2.77Å; N71-L122 HydrophobicContact CB-CB 4.26Å; N71-L122 PolarHBondContact ND2-O 2.94Å; N71-N124 PolarHBondContact ND2-ND2 3.49Å; N71-N124 PolarHBondContact OD1-ND2 3.43Å
72	M	90.2	Very high	87.8	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	140.5	178.7	-177.3	174.8	59.1	0	0	112.3	E56 V59 L82 I83 A131 A134 V135	E56-M72 HydrophobicContact CB-CE 3.79Å; E56-M72 HydrophobicContact CG-CE 4.38Å; E56-M72 VanDerWaalsContact O-CE 3.32Å; E56-M72 WeakPolarHBondContact O-CE 3.28Å; V59-M72 HydrophobicContact CB-SD 4.06Å; V59-M72 HydrophobicContact CG1-SD 3.72Å; M72-L82 CarbonylContact C-O 3.59Å; M72-L82 WeakPolarHBondContact CA-O 3.37Å; M72-I83 HydrophobicContact CG-CG1 4.25Å; M72-I83 HydrophobicContact SD-CG1 4.36Å; M72-A131 HydrophobicContact CE-CB 4.37Å; M72-A134 HydrophobicContact CE-CB 3.97Å; M72-V135 HydrophobicContact CB-CG2 3.85Å; M72-V135 HydrophobicContact CE-CG2 4.22Å
73	I	89	Confident	87.9	Confident	44 Å²	44	38.1 Å²	38.1	23%	0.226	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	114.4	176.3	-60.1	178.2	0	0	0	110	A81 L82 L122	I73-A81 CarbonylContact O-C 3.57Å; I73-A81 VanDerWaalsContact O-CA 3.32Å; I73-A81 WeakPolarHBondContact O-CA 3.46Å; I73-L82 HydrophobicContact CB-CB 4.45Å; I73-L82 PolarHBondContact N-O 3.24Å; I73-L82 PolarHBondContact O-N 3Å; I73-L122 HydrophobicContact CD1-CB 4.16Å; I73-L122 HydrophobicContact CD1-CD1 4.33Å; I73-L122 HydrophobicContact CD1-CD2 4.19Å; I73-L122 HydrophobicContact CD1-CG 4.47Å; I73-L122 HydrophobicContact CG1-CD1 4.21Å
74	L	87.9	Confident	88	Confident	21 Å²	21	38.5 Å²	38.5	11%	0.11	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	112	174.6	-179.9	59.8	0	0	0	111.6	L50 V54 E56 V59 R76 A81	L50-L74 HydrophobicContact CD1-CD1 3.99Å; V54-L74 HydrophobicContact CG1-CD1 3.84Å; V54-L74 HydrophobicContact CG1-CD2 4.11Å; E56-L74 HydrophobicContact CG-CB 4.29Å; E56-L74 HydrophobicContact CG-CD2 4.08Å; V59-L74 HydrophobicContact CG2-CD1 4.32Å; L74-R76 HydrophobicContact CD2-CG 4.13Å; L74-R76 HydrophobicContact CG-CG 4.04Å; L74-R76 PolarHBondContact O-N 2.9Å; L74-A81 HydrophobicContact CD1-CB 4.08Å
75	T	85.2	Confident	88.1	Confident	54 Å²	54	38.4 Å²	38.4	33%	0.331	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	79.6	176.7	-55	0	0	0	0	110.9	K77 N78 C79 Q80	T75-K77 PolarHBondContact O-N 3.06Å; T75-K77 VanDerWaalsContact O-N 3.09Å; T75-N78 HydrophobicContact CG2-CB 4.12Å; T75-N78 PolarHBondContact O-N 2.79Å; T75-C79 PolarHBondContact O-N 3.06Å; T75-C79 VanDerWaalsContact O-N 3.09Å; T75-Q80 WeakPolarHBondContact CA-O 3.43Å; T75-Q80 WeakPolarHBondContact CB-O 3.21Å; T75-Q80 PolarHBondContact N-O 3.44Å; T75-Q80 PolarHBondContact O-N 2.95Å
76	R	77.4	Confident	88.1	Confident	128 Å²	128	42.6 Å²	42.6	48%	0.483	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-32.5	-179	-62.6	-177.5	-175.9	-104	5.3	114.2	V54 E56 L74 N78 C79	V54-R76 PolarHBondContact O-NH1 2.99Å; E56-R76 IonicContact OE1-CZ 3.91Å; E56-R76 IonicContact OE1-NE 2.8Å; E56-R76 IonicContact OE1-NH2 3.79Å; E56-R76 PolarHBondContact OE1-NH2 3.43Å; E56-R76 IonicContact OE2-CZ 2.75Å; E56-R76 IonicContact OE2-NH2 3.98Å; E56-R76 PolarHBondContact OE2-NH2 2.89Å; L74-R76 HydrophobicContact CD2-CG 4.13Å; L74-R76 HydrophobicContact CG-CG 4.04Å; L74-R76 PolarHBondContact O-N 2.9Å; R76-N78 VanDerWaalsContact C-N 3.32Å; R76-N78 PolarHBondContact O-N 3.04Å; R76-C79 PolarHBondContact O-N 3.22Å
77	K	72.7	Confident	88.2	Confident	204 Å²	204	44.8 Å²	44.8	89%	0.887	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-34.3	178.3	-72.3	-174.6	178.9	177.8	0	114	T75	T75-K77 PolarHBondContact O-N 3.06Å; T75-K77 VanDerWaalsContact O-N 3.09Å
78	N	76.5	Confident	88.2	Confident	102 Å²	102	47.9 Å²	47.9	55%	0.545	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107	-4.3	-176.9	-66.4	3	0	0	0	112.7	T75 R76 Q80	T75-N78 HydrophobicContact CG2-CB 4.12Å; T75-N78 PolarHBondContact O-N 2.79Å; R76-N78 VanDerWaalsContact C-N 3.32Å; R76-N78 PolarHBondContact O-N 3.04Å; N78-Q80 VanDerWaalsContact C-N 3.35Å; N78-Q80 HydrophobicContact CB-CB 4.28Å; N78-Q80 HydrophobicContact CB-CG 4.04Å; N78-Q80 PolarHBondContact ND2-OE1 3.47Å
79	C	81.1	Confident	88.1	Confident	32 Å²	32	53.5 Å²	53.5	22%	0.216	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	54	50.9	-170.6	-44.2	0	0	0	0	111.8	L50 T75 R76	L50-C79 HydrophobicContact CB-CB 4.45Å; L50-C79 WeakPolarHBondContact CB-O 3.37Å; L50-C79 PolarHBondContact N-O 2.76Å; L50-C79 VanDerWaalsContact N-O 3.15Å; L50-C79 WeakPolarHBondContact O-CB 3.11Å; T75-C79 PolarHBondContact O-N 3.06Å; T75-C79 VanDerWaalsContact O-N 3.09Å; R76-C79 PolarHBondContact O-N 3.22Å
80	Q	88.5	Confident	88.1	Confident	47 Å²	47	53.7 Å²	53.7	22%	0.22	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	149.6	-177.4	-72.1	172.1	-19.4	0	0	109.9	I47 R48 T75 N78	I47-Q80 CarbonylContact O-C 3.56Å; I47-Q80 VanDerWaalsContact O-CA 3.29Å; I47-Q80 WeakPolarHBondContact O-CA 3.43Å; R48-Q80 HydrophobicContact CB-CG 4.35Å; R48-Q80 HydrophobicContact CG-CG 4.16Å; T75-Q80 WeakPolarHBondContact CA-O 3.43Å; T75-Q80 WeakPolarHBondContact CB-O 3.21Å; T75-Q80 PolarHBondContact N-O 3.44Å; T75-Q80 PolarHBondContact O-N 2.95Å; N78-Q80 VanDerWaalsContact C-N 3.35Å; N78-Q80 HydrophobicContact CB-CB 4.28Å; N78-Q80 HydrophobicContact CB-CG 4.04Å; N78-Q80 PolarHBondContact ND2-OE1 3.47Å
81	A	91	Very high	88.1	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.008	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	153.2	172.3	0	0	0	0	0	111.5	I47 L50 V59 I73 L74	I47-A81 PolarHBondContact N-O 2.67Å; I47-A81 PolarHBondContact O-N 2.9Å; L50-A81 HydrophobicContact CD1-CB 3.6Å; V59-A81 HydrophobicContact CG1-CB 3.67Å; I73-A81 CarbonylContact O-C 3.57Å; I73-A81 VanDerWaalsContact O-CA 3.32Å; I73-A81 WeakPolarHBondContact O-CA 3.46Å; L74-A81 HydrophobicContact CD1-CB 4.08Å
82	L	92.1	Very high	88.1	Confident	27 Å²	27	53.2 Å²	53.2	14%	0.141	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	128	165.3	-59.8	173.7	0	0	0	107.7	V44 L45 H46 M72 I73 Y119 L122	V44-L82 HydrophobicContact CG1-CB 4.15Å; V44-L82 HydrophobicContact CG1-CD2 4.4Å; L45-L82 CarbonylContact O-C 3.55Å; L45-L82 VanDerWaalsContact O-CA 3.3Å; L45-L82 WeakPolarHBondContact O-CA 3.24Å; H46-L82 HydrophobicContact CB-CD2 3.73Å; M72-L82 CarbonylContact C-O 3.59Å; M72-L82 WeakPolarHBondContact CA-O 3.37Å; I73-L82 HydrophobicContact CB-CB 4.45Å; I73-L82 PolarHBondContact N-O 3.24Å; I73-L82 PolarHBondContact O-N 3Å; L82-Y119 HydrophobicContact CD1-CD2 4.41Å; L82-L122 HydrophobicContact CB-CD1 3.85Å; L82-L122 HydrophobicContact CB-CD2 3.99Å; L82-L122 HydrophobicContact CD1-CD2 3.77Å; L82-L122 HydrophobicContact CG-CD2 4.5Å
83	I	93.1	Very high	88.1	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	123.4	172.7	-55.1	-174.1	0	0	0	107.2	V44 L45 I47 V59 A63 I69 M72 M85 M94	V44-I83 CarbonylContact C-O 3.13Å; V44-I83 VanDerWaalsContact CA-O 3.29Å; V44-I83 WeakPolarHBondContact CA-O 3.31Å; L45-I83 PolarHBondContact N-O 2.64Å; L45-I83 PolarHBondContact O-N 3.33Å; I47-I83 HydrophobicContact CD1-CD1 3.55Å; I47-I83 HydrophobicContact CD1-CG1 4.07Å; V59-I83 HydrophobicContact CG1-CD1 3.84Å; V59-I83 HydrophobicContact CG1-CG1 4.18Å; A63-I83 HydrophobicContact CB-CD1 4.22Å; A63-I83 HydrophobicContact CB-CG2 4.21Å; I69-I83 HydrophobicContact CB-CG2 4.49Å; I69-I83 HydrophobicContact CD1-CG2 4.44Å; I69-I83 HydrophobicContact CG1-CG2 4.13Å; I69-I83 HydrophobicContact CG2-CG2 3.7Å; M72-I83 HydrophobicContact CG-CG1 4.25Å; M72-I83 HydrophobicContact SD-CG1 4.36Å; I83-M85 HydrophobicContact CG2-SD 3.82Å; I83-M94 HydrophobicContact CD1-CE 4.14Å
84	E	93.3	Very high	88.2	Confident	9 Å²	9	53.3 Å²	53.3	4%	0.042	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	114.7	168.9	-175.7	178	-178.8	0	0	108.8	R43 V44 I69 A70 N71 S121 L122	R43-E84 HydrophobicContact CB-CG 4.5Å; R43-E84 IonicContact CZ-OE1 3.2Å; R43-E84 IonicContact NH1-OE1 2.76Å; R43-E84 IonicContact NH2-OE1 3.15Å; R43-E84 PolarHBondContact NH2-OE1 3.31Å; R43-E84 CarbonylContact O-C 3.52Å; R43-E84 WeakPolarHBondContact O-CA 3.2Å; V44-E84 HydrophobicContact CG2-CB 4Å; V44-E84 HydrophobicContact CG2-CG 3.95Å; I69-E84 CarbonylContact C-O 3.59Å; I69-E84 WeakPolarHBondContact CG2-O 3.38Å; A70-E84 HydrophobicContact CB-CG 4.13Å; A70-E84 PolarHBondContact N-O 2.87Å; N71-E84 HydrophobicContact CB-CB 4.11Å; N71-E84 PolarHBondContact N-O 3.34Å; N71-E84 PolarHBondContact O-N 2.77Å; E84-S121 WeakPolarHBondContact OE1-CA 3.47Å; E84-S121 VanDerWaalsContact OE1-CB 3.24Å; E84-S121 WeakPolarHBondContact OE1-CB 3.04Å; E84-S121 PolarHBondContact OE1-OG 2.75Å; E84-S121 PolarHBondContact OE2-OG 3.07Å; E84-L122 HydrophobicContact CB-CD1 3.85Å; E84-L122 HydrophobicContact CB-CG 4.01Å; E84-L122 WeakPolarHBondContact OE2-CB 3.43Å; E84-L122 PolarHBondContact OE2-N 2.96Å
85	M	93.7	Very high	88.4	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	153.7	170.9	-54.6	-57.3	-70.7	0	0	110.2	R43 A63 F66 G67 I69 I83 S90 A91 M94	R43-M85 PolarHBondContact NH1-O 2.9Å; R43-M85 PolarHBondContact O-N 3.19Å; A63-M85 HydrophobicContact CB-CE 4.12Å; A63-M85 HydrophobicContact CB-SD 3.84Å; F66-M85 HydrophobicContact CB-CE 4.39Å; G67-M85 WeakPolarHBondContact O-CE 3.29Å; I69-M85 HydrophobicContact CG1-SD 4.37Å; I83-M85 HydrophobicContact CG2-SD 3.82Å; M85-S90 WeakPolarHBondContact CB-OG 3.25Å; M85-A91 HydrophobicContact CB-CB 4.07Å; M85-A91 HydrophobicContact CG-CB 3.84Å; M85-M94 HydrophobicContact SD-SD 4.18Å
86	D	91	Very high	88.5	Confident	93 Å²	93	53.8 Å²	53.8	50%	0.497	27%	0.272	S	S	.	.	S	Bend	trans	-64.9	-44	-179.6	-164.8	31.2	0	0	0	111.6	R43 S68	R43-D86 WeakPolarHBondContact CD-O 3.27Å; R43-D86 PolarHBondContact NH1-O 3.13Å; S68-D86 WeakPolarHBondContact O-CB 3.29Å; S68-D86 PolarHBondContact O-N 2.95Å
87	T	91.8	Very high	89	Confident	61 Å²	61	48.2 Å²	48.2	37%	0.374	25%	0.251	S	S	.	.	S	Bend	trans	-110.3	160.2	177.3	69.5	0	0	0	0	112.5	S90	T87-S90 PolarHBondContact O-OG 2.87Å; T87-S90 VanDerWaalsContact O-OG 3.05Å; T87-S90 WeakPolarHBondContact OG1-CB 3.36Å; T87-S90 PolarHBondContact OG1-N 3.19Å; T87-S90 PolarHBondContact OG1-OG 3.16Å
88	L	90.6	Very high	89.8	Confident	69 Å²	69	38.8 Å²	38.8	36%	0.361	21%	0.21	S	C	.	.	H	α-helix	trans	-69.3	-44	173.4	-175	64.1	0	0	0	111.4	E41 S42 R43 S90 A91 E92	E41-L88 HydrophobicContact CB-CD1 4.3Å; S42-L88 VanDerWaalsContact C-CD1 3.42Å; R43-L88 HydrophobicContact CG-CB 4.14Å; R43-L88 HydrophobicContact CG-CD1 4.24Å; L88-S90 PolarHBondContact O-N 2.83Å; L88-A91 WeakPolarHBondContact O-CA 3.44Å; L88-A91 WeakPolarHBondContact O-CB 3.39Å; L88-A91 PolarHBondContact O-N 3.15Å; L88-E92 WeakPolarHBondContact CD2-OE1 3.34Å; L88-E92 HydrophobicContact CG-CG 4.38Å; L88-E92 VanDerWaalsContact CG-OE1 3.3Å; L88-E92 WeakPolarHBondContact CG-OE1 3.37Å; L88-E92 PolarHBondContact O-N 3.33Å
89	E	90.7	Very high	90.2	Very high	148 Å²	148	37.7 Å²	37.7	69%	0.692	21%	0.207	S	C	*	.	H	α-helix	trans	-54.4	-36.6	178.2	-60.3	171.8	174.7	0	0	112.9	S93	E89-S93 VanDerWaalsContact O-CB 3.22Å; E89-S93 WeakPolarHBondContact O-CB 3.48Å; E89-S93 PolarHBondContact O-N 3.42Å
90	S	92.4	Very high	90.1	Very high	8 Å²	8	42 Å²	42	6%	0.056	23%	0.232	C	C	.	.	H	α-helix	trans	-75.3	-30.6	177.5	51	0	0	0	0	113	F66 M85 T87 L88 M94	F66-S90 VanDerWaalsContact O-CB 3.23Å; F66-S90 WeakPolarHBondContact O-CB 3.29Å; M85-S90 WeakPolarHBondContact CB-OG 3.25Å; T87-S90 PolarHBondContact O-OG 2.87Å; T87-S90 VanDerWaalsContact O-OG 3.05Å; T87-S90 WeakPolarHBondContact OG1-CB 3.36Å; T87-S90 PolarHBondContact OG1-N 3.19Å; T87-S90 PolarHBondContact OG1-OG 3.16Å; L88-S90 PolarHBondContact O-N 2.83Å; S90-M94 WeakPolarHBondContact O-CB 3.41Å; S90-M94 PolarHBondContact O-N 2.89Å
91	A	91.4	Very high	89.6	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-70.7	-41.7	170.1	0	0	0	0	0	112	S42 L45 M85 L88 M94 F95 F116	S42-A91 WeakPolarHBondContact O-CB 3.22Å; L45-A91 HydrophobicContact CD1-CB 4.35Å; L45-A91 HydrophobicContact CD2-CB 4.41Å; L45-A91 HydrophobicContact CG-CB 4.2Å; M85-A91 HydrophobicContact CB-CB 4.07Å; M85-A91 HydrophobicContact CG-CB 3.84Å; L88-A91 WeakPolarHBondContact O-CA 3.44Å; L88-A91 WeakPolarHBondContact O-CB 3.39Å; L88-A91 PolarHBondContact O-N 3.15Å; A91-M94 PolarHBondContact O-N 3.46Å; A91-F95 VanDerWaalsContact O-CB 3.29Å; A91-F95 WeakPolarHBondContact O-CB 3.31Å; A91-F95 PolarHBondContact O-N 2.83Å; A91-F116 HydrophobicContact CB-CE1 4.34Å
92	E	90.4	Very high	89	Confident	68 Å²	68	43.9 Å²	43.9	32%	0.318	24%	0.243	S	C	.	.	H	α-helix	trans	-61.8	-45.5	173.4	-71.8	167.7	-176.6	0	0	111.7	L88 F95 G96 F116	L88-E92 WeakPolarHBondContact CD2-OE1 3.34Å; L88-E92 HydrophobicContact CG-CG 4.38Å; L88-E92 VanDerWaalsContact CG-OE1 3.3Å; L88-E92 WeakPolarHBondContact CG-OE1 3.37Å; L88-E92 PolarHBondContact O-N 3.33Å; E92-F95 PolarHBondContact O-N 3.47Å; E92-G96 PolarHBondContact O-N 2.97Å; E92-F116 HydrophobicContact CG-CZ 4Å
93	S	90.1	Very high	88.3	Confident	47 Å²	47	45.6 Å²	45.6	33%	0.329	26%	0.258	S	S	.	.	H	α-helix	trans	-59.9	-47.6	176.4	-170.4	0	0	0	0	111.8	E89 Y97	E89-S93 VanDerWaalsContact O-CB 3.22Å; E89-S93 WeakPolarHBondContact O-CB 3.48Å; E89-S93 PolarHBondContact O-N 3.42Å; S93-Y97 VanDerWaalsContact O-CB 3.22Å; S93-Y97 WeakPolarHBondContact O-CB 3.15Å; S93-Y97 PolarHBondContact O-N 3.45Å
94	M	91.6	Very high	87.3	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63	-45.8	176.8	-179.9	172.3	167.9	0	0	112.3	L45 I47 L62 A63 F66 I83 M85 S90 A91 Y98	L45-M94 HydrophobicContact CD1-CB 3.79Å; L45-M94 HydrophobicContact CD1-CE 4.18Å; L45-M94 HydrophobicContact CD1-CG 3.65Å; L45-M94 HydrophobicContact CD1-SD 3.61Å; I47-M94 HydrophobicContact CD1-CE 3.96Å; L62-M94 HydrophobicContact CB-CE 4.27Å; A63-M94 HydrophobicContact CB-CE 4.29Å; A63-M94 HydrophobicContact CB-SD 3.8Å; F66-M94 HydrophobicContact CB-CB 3.85Å; F66-M94 HydrophobicContact CD1-CB 4.1Å; F66-M94 HydrophobicContact CD2-CB 3.67Å; F66-M94 HydrophobicContact CD2-CG 3.67Å; F66-M94 HydrophobicContact CD2-SD 4.24Å; F66-M94 HydrophobicContact CE2-CB 4.27Å; F66-M94 HydrophobicContact CE2-CG 3.99Å; F66-M94 HydrophobicContact CG-CB 3.58Å; F66-M94 HydrophobicContact CG-CG 4.13Å; I83-M94 HydrophobicContact CD1-CE 4.14Å; M85-M94 HydrophobicContact SD-SD 4.18Å; S90-M94 WeakPolarHBondContact O-CB 3.41Å; S90-M94 PolarHBondContact O-N 2.89Å; A91-M94 PolarHBondContact O-N 3.46Å; M94-Y98 HydrophobicContact CE-CD2 4.08Å; M94-Y98 HydrophobicContact CE-CE2 3.86Å; M94-Y98 HydrophobicContact CG-CD2 3.65Å; M94-Y98 HydrophobicContact CG-CE2 3.82Å; M94-Y98 WeakPolarHBondContact O-CB 3.5Å; M94-Y98 WeakPolarHBondContact O-CD2 3.39Å; M94-Y98 PolarHBondContact O-N 3.27Å; M94-Y98 HydrophobicContact SD-CE2 4.48Å
95	F	90.9	Very high	86.2	Confident	57 Å²	57	48.8 Å²	48.8	25%	0.25	27%	0.274	C	S	.	.	H	α-helix	trans	-65.6	-47.4	178.7	173.7	-109.3	0	0	0	112	L45 A91 E92 Y98 T99 V114 F116	L45-F95 HydrophobicContact CD2-CB 3.9Å; A91-F95 VanDerWaalsContact O-CB 3.29Å; A91-F95 WeakPolarHBondContact O-CB 3.31Å; A91-F95 PolarHBondContact O-N 2.83Å; E92-F95 PolarHBondContact O-N 3.47Å; F95-Y98 PolarHBondContact O-N 3.32Å; F95-T99 VanDerWaalsContact CE2-OG1 3.29Å; F95-T99 WeakPolarHBondContact CE2-OG1 3.49Å; F95-T99 WeakPolarHBondContact O-CB 3.27Å; F95-T99 PolarHBondContact O-N 2.89Å; F95-T99 PolarHBondContact O-OG1 3.5Å; F95-V114 HydrophobicContact CD2-CG1 4.26Å; F95-V114 WeakPolarHBondContact CE2-O 3.41Å; F95-F116 HydrophobicContact CB-CE1 4.45Å; F95-F116 HydrophobicContact CB-CE2 4.34Å; F95-F116 HydrophobicContact CB-CZ 4.06Å; F95-F116 AromaticContact CD1-CD2 3.96Å; F95-F116 HydrophobicContact CD1-CD2 3.96Å; F95-F116 AromaticContact CD1-CE2 3.32Å; F95-F116 HydrophobicContact CD1-CE2 3.32Å; F95-F116 AromaticContact CD1-CZ 3.83Å; F95-F116 HydrophobicContact CD1-CZ 3.83Å; F95-F116 HydrophobicContact CE1-CD2 4.07Å; F95-F116 AromaticContact CE1-CE2 3.73Å; F95-F116 HydrophobicContact CE1-CE2 3.73Å; F95-F116 HydrophobicContact CG-CD2 4.28Å; F95-F116 AromaticContact CG-CE2 3.87Å; F95-F116 HydrophobicContact CG-CE2 3.87Å; F95-F116 HydrophobicContact CG-CZ 4.11Å; F95-F116 HydrophobicContact CZ-CD2 4.5Å
96	G	87.6	Confident	85	Confident	28 Å²	28	49.6 Å²	49.6	29%	0.289	28%	0.278	S	S	.	.	H	α-helix	trans	-60.4	-48	178.8	0	0	0	0	0	111.7	E92 T99 V100	E92-G96 PolarHBondContact O-N 2.97Å; G96-T99 PolarHBondContact O-N 3.44Å; G96-V100 VanDerWaalsContact O-CB 3.25Å; G96-V100 WeakPolarHBondContact O-CB 3.29Å; G96-V100 VanDerWaalsContact O-CG2 3.31Å; G96-V100 WeakPolarHBondContact O-CG2 3.43Å; G96-V100 PolarHBondContact O-N 2.97Å
97	Y	88.7	Confident	83.7	Confident	11 Å²	11	51.2 Å²	51.2	4%	0.043	28%	0.278	C	S	.	.	H	α-helix	trans	-59.9	-50.8	176.5	-176.7	-77.1	0	0	0	112.1	F66 S93 T99 V100 I101 C102 F182 I207 S208 V211	F66-Y97 VanDerWaalsContact CE1-CB 3.42Å; F66-Y97 HydrophobicContact CE1-CD1 4.04Å; F66-Y97 AromaticContact CE1-CD2 3.95Å; F66-Y97 HydrophobicContact CE1-CD2 3.95Å; F66-Y97 AromaticContact CE1-CG 3.54Å; F66-Y97 HydrophobicContact CE1-CG 3.54Å; F66-Y97 AromaticContact CZ-CD1 3.59Å; F66-Y97 HydrophobicContact CZ-CD1 3.59Å; F66-Y97 HydrophobicContact CZ-CD2 4.25Å; F66-Y97 HydrophobicContact CZ-CE1 4.24Å; F66-Y97 AromaticContact CZ-CG 3.61Å; F66-Y97 HydrophobicContact CZ-CG 3.61Å; S93-Y97 VanDerWaalsContact O-CB 3.22Å; S93-Y97 WeakPolarHBondContact O-CB 3.15Å; S93-Y97 PolarHBondContact O-N 3.45Å; Y97-T99 VanDerWaalsContact C-N 3.27Å; Y97-T99 PolarHBondContact O-N 3.03Å; Y97-V100 PolarHBondContact O-N 3.42Å; Y97-I101 HydrophobicContact CD2-CB 4.38Å; Y97-I101 HydrophobicContact CD2-CD1 3.68Å; Y97-I101 HydrophobicContact CE2-CB 4.4Å; Y97-I101 HydrophobicContact CE2-CD1 4.02Å; Y97-I101 HydrophobicContact CE2-CG2 4.14Å; Y97-I101 HydrophobicContact CG-CB 4.47Å; Y97-I101 HydrophobicContact CG-CD1 4.33Å; Y97-I101 WeakPolarHBondContact O-CB 3.26Å; Y97-I101 PolarHBondContact O-N 2.83Å; Y97-C102 HydrophobicContact CE1-CB 3.95Å; Y97-C102 PolarHBondContact O-N 2.78Å; Y97-F182 PolarHBondContact OH-O 3.45Å; Y97-I207 HydrophobicContact CD2-CG2 3.74Å; Y97-I207 HydrophobicContact CE2-CB 4.39Å; Y97-I207 HydrophobicContact CE2-CG2 3.74Å; Y97-S208 WeakPolarHBondContact OH-CA 3.47Å; Y97-S208 PolarHBondContact OH-OG 2.83Å; Y97-V211 HydrophobicContact CE1-CB 4.25Å; Y97-V211 HydrophobicContact CE1-CG1 4.03Å; Y97-V211 HydrophobicContact CE1-CG2 3.8Å; Y97-V211 HydrophobicContact CE2-CG2 4.42Å; Y97-V211 WeakPolarHBondContact OH-CB 3.37Å
98	Y	88.4	Confident	82.1	Confident	7 Å²	7	51.8 Å²	51.8	3%	0.027	30%	0.295	C	S	.	.	H	α-helix	trans	-74	-16.5	-175.6	-75.5	-40.8	0	0	0	114.2	L62 F66 M94 F95 C102 S103 P104 V114 V211	L62-Y98 HydrophobicContact CB-CE2 4.2Å; L62-Y98 VanDerWaalsContact O-CE2 3.31Å; L62-Y98 WeakPolarHBondContact O-CE2 3.17Å; L62-Y98 PolarHBondContact O-OH 3.34Å; F66-Y98 HydrophobicContact CD2-CE2 4.38Å; F66-Y98 HydrophobicContact CE2-CD2 4.2Å; F66-Y98 HydrophobicContact CE2-CE1 4.44Å; F66-Y98 AromaticContact CE2-CE2 3.5Å; F66-Y98 HydrophobicContact CE2-CE2 3.5Å; F66-Y98 VanDerWaalsContact CE2-CE2 3.5Å; F66-Y98 AromaticContact CE2-CZ 3.65Å; F66-Y98 HydrophobicContact CZ-CD2 4.45Å; F66-Y98 HydrophobicContact CZ-CE1 4.42Å; F66-Y98 HydrophobicContact CZ-CE2 4.06Å; M94-Y98 HydrophobicContact CE-CD2 4.08Å; M94-Y98 HydrophobicContact CE-CE2 3.86Å; M94-Y98 HydrophobicContact CG-CD2 3.65Å; M94-Y98 HydrophobicContact CG-CE2 3.82Å; M94-Y98 WeakPolarHBondContact O-CB 3.5Å; M94-Y98 WeakPolarHBondContact O-CD2 3.39Å; M94-Y98 PolarHBondContact O-N 3.27Å; M94-Y98 HydrophobicContact SD-CE2 4.48Å; F95-Y98 PolarHBondContact O-N 3.32Å; Y98-C102 WeakPolarHBondContact CA-O 3.41Å; Y98-C102 VanDerWaalsContact CD1-O 3.28Å; Y98-C102 WeakPolarHBondContact CD1-O 3.46Å; Y98-S103 WeakPolarHBondContact O-CA 3.1Å; Y98-P104 HydrophobicContact CD1-CB 3.81Å; Y98-P104 HydrophobicContact CD1-CG 3.58Å; Y98-P104 HydrophobicContact CD2-CG 4.05Å; Y98-P104 HydrophobicContact CE1-CB 3.69Å; Y98-P104 HydrophobicContact CE1-CG 3.95Å; Y98-P104 HydrophobicContact CE2-CG 4.36Å; Y98-P104 HydrophobicContact CG-CB 4.34Å; Y98-P104 HydrophobicContact CG-CG 3.64Å; Y98-V114 HydrophobicContact CD2-CG2 4.35Å; Y98-V114 HydrophobicContact CG-CG2 4.48Å; Y98-V211 HydrophobicContact CE1-CG1 4.29Å
99	T	84.8	Confident	80.4	Confident	78 Å²	78	51.6 Å²	51.6	48%	0.479	29%	0.292	S	S	.	.	H	α-helix	trans	-91	-37.3	174.3	-54.3	0	0	0	0	112.5	F95 G96 Y97	F95-T99 VanDerWaalsContact CE2-OG1 3.29Å; F95-T99 WeakPolarHBondContact CE2-OG1 3.49Å; F95-T99 WeakPolarHBondContact O-CB 3.27Å; F95-T99 PolarHBondContact O-N 2.89Å; F95-T99 PolarHBondContact O-OG1 3.5Å; G96-T99 PolarHBondContact O-N 3.44Å; Y97-T99 VanDerWaalsContact C-N 3.27Å; Y97-T99 PolarHBondContact O-N 3.03Å
100	V	80.6	Confident	79.1	Confident	124 Å²	124	53.6 Å²	53.6	75%	0.752	29%	0.294	S	S	*	.	H	α-helix	trans	-99.7	-39.6	-171.3	-179.5	0	0	0	0	113.2	G96 Y97	G96-V100 VanDerWaalsContact O-CB 3.25Å; G96-V100 WeakPolarHBondContact O-CB 3.29Å; G96-V100 VanDerWaalsContact O-CG2 3.31Å; G96-V100 WeakPolarHBondContact O-CG2 3.43Å; G96-V100 PolarHBondContact O-N 2.97Å; Y97-V100 PolarHBondContact O-N 3.42Å
101	I	76.8	Confident	78.2	Confident	77 Å²	77	56.8 Å²	56.8	40%	0.395	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-51.2	-169.1	-61.6	174.2	0	0	0	111.4	Y97	Y97-I101 HydrophobicContact CD2-CB 4.38Å; Y97-I101 HydrophobicContact CD2-CD1 3.68Å; Y97-I101 HydrophobicContact CE2-CB 4.4Å; Y97-I101 HydrophobicContact CE2-CD1 4.02Å; Y97-I101 HydrophobicContact CE2-CG2 4.14Å; Y97-I101 HydrophobicContact CG-CB 4.47Å; Y97-I101 HydrophobicContact CG-CD1 4.33Å; Y97-I101 WeakPolarHBondContact O-CB 3.26Å; Y97-I101 PolarHBondContact O-N 2.83Å
102	C	78.7	Confident	77.7	Confident	10 Å²	10	57.1 Å²	57.1	7%	0.068	32%	0.316	C	S	.	.			trans	-150.7	112.5	-171.8	176.2	0	0	0	0	110.5	Y97 Y98 P104 P181	Y97-C102 HydrophobicContact CE1-CB 3.95Å; Y97-C102 PolarHBondContact O-N 2.78Å; Y98-C102 WeakPolarHBondContact CA-O 3.41Å; Y98-C102 VanDerWaalsContact CD1-O 3.28Å; Y98-C102 WeakPolarHBondContact CD1-O 3.46Å; C102-P104 WeakPolarHBondContact O-CD 3.19Å; C102-P181 WeakPolarHBondContact CB-O 3.13Å; C102-P181 PolarHBondContact SG-O 2.91Å
103	S	77.4	Confident	77.4	Confident	63 Å²	63	59.1 Å²	59.1	44%	0.441	33%	0.326	S	S	.	.			trans	-68	124.3	170.1	-54.9	0	0	0	0	109.6	Y98	Y98-S103 WeakPolarHBondContact O-CA 3.1Å
104	P	72.5	Confident	77.3	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.313	C	S	.	.			trans	-69.3	138.8	-170	17	-20	0	0	0	111.4	L62 Y98 C102 L112 V114	L62-P104 HydrophobicContact CD2-CB 4Å; Y98-P104 HydrophobicContact CD1-CB 3.81Å; Y98-P104 HydrophobicContact CD1-CG 3.58Å; Y98-P104 HydrophobicContact CD2-CG 4.05Å; Y98-P104 HydrophobicContact CE1-CB 3.69Å; Y98-P104 HydrophobicContact CE1-CG 3.95Å; Y98-P104 HydrophobicContact CE2-CG 4.36Å; Y98-P104 HydrophobicContact CG-CB 4.34Å; Y98-P104 HydrophobicContact CG-CG 3.64Å; C102-P104 WeakPolarHBondContact O-CD 3.19Å; P104-L112 HydrophobicContact CB-CD1 4.35Å; P104-L112 HydrophobicContact CG-CB 4.13Å; P104-L112 HydrophobicContact CG-CD1 4.44Å; P104-L112 WeakPolarHBondContact O-CB 3.43Å; P104-L112 VanDerWaalsContact O-CG 3.31Å; P104-L112 WeakPolarHBondContact O-CG 3.35Å; P104-L112 PolarHBondContact O-N 3.5Å; P104-V114 HydrophobicContact CG-CG2 3.99Å
105	I	70.1	Confident	77.1	Confident	75 Å²	75	60.6 Å²	60.6	39%	0.385	33%	0.328	S	S	.	.			trans	-118.9	111.2	-178.1	-60.1	173.1	0	0	0	108.8	K109	I105-K109 WeakPolarHBondContact CG2-O 3.35Å
106	L	69.2	Low	77.1	Confident	17 Å²	17	58.6 Å²	58.6	9%	0.089	32%	0.319	C	S	.	.	S	Bend	trans	-91.9	121.4	168.2	-74.2	177.6	0	0	0	110.7	L50 P51 V54 E58 L62 G108 K109 L112	L50-L106 HydrophobicContact CD2-CD1 3.73Å; P51-L106 HydrophobicContact CG-CB 4.09Å; V54-L106 HydrophobicContact CG2-CD1 3.82Å; E58-L106 HydrophobicContact CB-CD2 4.46Å; L62-L106 HydrophobicContact CD1-CD1 4.12Å; L62-L106 HydrophobicContact CD1-CG 4.4Å; L62-L106 HydrophobicContact CD2-CD2 4.22Å; L62-L106 HydrophobicContact CD2-CG 4.49Å; L106-G108 VanDerWaalsContact C-N 3.31Å; L106-G108 PolarHBondContact O-N 2.77Å; L106-K109 PolarHBondContact O-N 3Å; L106-L112 HydrophobicContact CB-CD1 4.41Å; L106-L112 HydrophobicContact CD1-CD1 3.93Å; L106-L112 HydrophobicContact CG-CD1 3.93Å
107	R	63.1	Low	77.1	Confident	128 Å²	128	57.4 Å²	57.4	48%	0.483	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	35.9	175.9	-54.4	-175.6	-177.7	175.8	2	115	D53 E58 K109	D53-R107 IonicContact OD2-CZ 3.64Å; D53-R107 IonicContact OD2-NH1 2.61Å; D53-R107 PolarHBondContact OD2-NH1 2.89Å; E58-R107 IonicContact OE1-CZ 3.46Å; E58-R107 IonicContact OE1-NE 3.92Å; E58-R107 PolarHBondContact OE1-NE 2.98Å; E58-R107 IonicContact OE1-NH2 3.64Å; E58-R107 PolarHBondContact OE1-NH2 3.39Å; E58-R107 IonicContact OE2-CZ 2.95Å; E58-R107 IonicContact OE2-NE 3.86Å; E58-R107 IonicContact OE2-NH2 3.73Å; E58-R107 PolarHBondContact OE2-NH2 2.95Å; R107-K109 PolarHBondContact O-N 3Å
108	G	57.1	Low	76.9	Confident	72 Å²	72	64.2 Å²	64.2	74%	0.742	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	16.9	176.1	0	0	0	0	0	115.4	L106	L106-G108 VanDerWaalsContact C-N 3.31Å; L106-G108 PolarHBondContact O-N 2.77Å
109	K	56.7	Low	76.6	Confident	66 Å²	66	71 Å²	71	29%	0.287	36%	0.363	S	S	.	.			trans	-86.4	177.8	170.9	-71.6	179.2	-178.1	169.5	0	110.5	P51 D53 I105 L106 R107	P51-K109 HydrophobicContact CB-CD 4.23Å; P51-K109 HydrophobicContact CG-CD 4.22Å; D53-K109 IonicContact OD1-NZ 3.53Å; D53-K109 PolarHBondContact OD1-NZ 3.22Å; I105-K109 WeakPolarHBondContact CG2-O 3.35Å; L106-K109 PolarHBondContact O-N 3Å; R107-K109 PolarHBondContact O-N 3Å
110	Y	62.7	Low	76.4	Confident	189 Å²	189	71.8 Å²	71.8	74%	0.741	37%	0.371	S	S	*	.	S	Bend	trans	-46.1	146.7	179.8	-60	-78.3	0	0	0	113	L112	Y110-L112 PolarHBondContact O-N 3.02Å
111	P	72.6	Confident	76.4	Confident	76 Å²	76	68.4 Å²	68.4	49%	0.494	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-55.5	135.5	177.3	23.9	-34.4	0	0	0	110.6
112	L	81.9	Confident	76.7	Confident	7 Å²	7	65.3 Å²	65.3	4%	0.037	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-75.5	139.3	176.9	-58.1	175.8	0	0	0	110.1	I47 R48 G49 L50 L62 P104 L106 Y110	I47-L112 HydrophobicContact CG2-CB 4.17Å; I47-L112 HydrophobicContact CG2-CD1 4.11Å; R48-L112 WeakPolarHBondContact O-CA 3.41Å; G49-L112 VanDerWaalsContact O-CD2 3.29Å; G49-L112 WeakPolarHBondContact O-CD2 3.36Å; L50-L112 HydrophobicContact CD2-CD1 3.78Å; L50-L112 HydrophobicContact CD2-CD2 3.91Å; L50-L112 HydrophobicContact CD2-CG 4.5Å; L50-L112 HydrophobicContact CG-CD2 4.36Å; L62-L112 HydrophobicContact CD1-CD1 3.83Å; P104-L112 HydrophobicContact CB-CD1 4.35Å; P104-L112 HydrophobicContact CG-CB 4.13Å; P104-L112 HydrophobicContact CG-CD1 4.44Å; P104-L112 WeakPolarHBondContact O-CB 3.43Å; P104-L112 VanDerWaalsContact O-CG 3.31Å; P104-L112 WeakPolarHBondContact O-CG 3.35Å; P104-L112 PolarHBondContact O-N 3.5Å; L106-L112 HydrophobicContact CB-CD1 4.41Å; L106-L112 HydrophobicContact CD1-CD1 3.93Å; L106-L112 HydrophobicContact CG-CD1 3.93Å; Y110-L112 PolarHBondContact O-N 3.02Å
113	E	83.1	Confident	76.3	Confident	110 Å²	110	71.2 Å²	71.2	51%	0.514	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	123.1	169.8	-61.8	177.6	175	0	0	109	I47 R48	I47-E113 CarbonylContact C-O 3.59Å; I47-E113 WeakPolarHBondContact CA-O 3.32Å; R48-E113 HydrophobicContact CB-CB 4.26Å; R48-E113 PolarHBondContact N-O 3.16Å; R48-E113 IonicContact NH1-OE2 2.74Å; R48-E113 PolarHBondContact O-N 2.74Å; R48-E113 VanDerWaalsContact O-N 3.12Å
114	V	87.9	Confident	75.4	Confident	10 Å²	10	70.9 Å²	70.9	6%	0.061	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	133.7	169.9	-171.4	0	0	0	0	108	L45 I47 F95 Y98 P104	L45-V114 HydrophobicContact CB-CG1 4.31Å; L45-V114 HydrophobicContact CD1-CG1 4.31Å; L45-V114 HydrophobicContact CD2-CG1 4.49Å; I47-V114 HydrophobicContact CG1-CG2 4.48Å; F95-V114 HydrophobicContact CD2-CG1 4.26Å; F95-V114 WeakPolarHBondContact CE2-O 3.41Å; Y98-V114 HydrophobicContact CD2-CG2 4.35Å; Y98-V114 HydrophobicContact CG-CG2 4.48Å; P104-V114 HydrophobicContact CG-CG2 3.99Å
115	Q	89	Confident	74.3	Confident	67 Å²	67	76.6 Å²	76.6	31%	0.313	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	151.6	177.3	-64.4	-175.5	-10.5	0	0	109.9	H46 S117	H46-Q115 PolarHBondContact N-O 3.14Å; H46-Q115 PolarHBondContact O-N 2.8Å; Q115-S117 PolarHBondContact O-N 2.9Å
116	F	89.9	Confident	73.6	Confident	15 Å²	15	80 Å²	80	7%	0.066	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	139.8	166.5	-73.3	-66.4	0	0	0	111.2	L39 E41 S42 L45 A91 E92 F95	L39-F116 WeakPolarHBondContact CD1-O 3.42Å; E41-F116 HydrophobicContact CB-CE1 4.47Å; E41-F116 HydrophobicContact CB-CE2 4.4Å; E41-F116 HydrophobicContact CB-CZ 4.22Å; E41-F116 HydrophobicContact CG-CD2 4.33Å; E41-F116 HydrophobicContact CG-CE2 3.72Å; E41-F116 HydrophobicContact CG-CZ 3.87Å; S42-F116 VanDerWaalsContact N-CD1 3.33Å; S42-F116 WeakPolarHBondContact O-CD1 3.47Å; S42-F116 VanDerWaalsContact O-CE1 3.25Å; S42-F116 WeakPolarHBondContact O-CE1 3.3Å; L45-F116 HydrophobicContact CD2-CD1 3.55Å; L45-F116 HydrophobicContact CD2-CE1 3.72Å; L45-F116 HydrophobicContact CD2-CG 4.3Å; A91-F116 HydrophobicContact CB-CE1 4.34Å; E92-F116 HydrophobicContact CG-CZ 4Å; F95-F116 HydrophobicContact CB-CE1 4.45Å; F95-F116 HydrophobicContact CB-CE2 4.34Å; F95-F116 HydrophobicContact CB-CZ 4.06Å; F95-F116 AromaticContact CD1-CD2 3.96Å; F95-F116 HydrophobicContact CD1-CD2 3.96Å; F95-F116 AromaticContact CD1-CE2 3.32Å; F95-F116 HydrophobicContact CD1-CE2 3.32Å; F95-F116 AromaticContact CD1-CZ 3.83Å; F95-F116 HydrophobicContact CD1-CZ 3.83Å; F95-F116 HydrophobicContact CE1-CD2 4.07Å; F95-F116 AromaticContact CE1-CE2 3.73Å; F95-F116 HydrophobicContact CE1-CE2 3.73Å; F95-F116 HydrophobicContact CG-CD2 4.28Å; F95-F116 AromaticContact CG-CE2 3.87Å; F95-F116 HydrophobicContact CG-CE2 3.87Å; F95-F116 HydrophobicContact CG-CZ 4.11Å; F95-F116 HydrophobicContact CZ-CD2 4.5Å
117	S	87.6	Confident	72.9	Confident	3 Å²	3	84.7 Å²	84.7	2%	0.021	45%	0.452	C	S	.	.			trans	-82.7	155.6	176.5	-172.9	0	0	0	0	111.3	V44 Q115 Y119	V44-S117 WeakPolarHBondContact O-CB 3.48Å; V44-S117 PolarHBondContact O-N 3.22Å; Q115-S117 PolarHBondContact O-N 2.9Å; S117-Y119 PolarHBondContact O-N 2.66Å; S117-Y119 WeakPolarHBondContact OG-CD2 3.31Å; S117-Y119 PolarHBondContact OG-N 3.26Å
118	K	84.4	Confident	73.4	Confident	155 Å²	155	83 Å²	83	67%	0.674	45%	0.453	S	S	*	.	S	Bend	trans	-71.2	-14.1	171.1	-64.5	-174.5	177.9	-172.7	0	113.2	L39	L39-K118 HydrophobicContact CD2-CG 3.91Å
119	Y	83.4	Confident	74.5	Confident	150 Å²	150	85.3 Å²	85.3	59%	0.588	45%	0.448	S	S	*	.			trans	-94.6	140.5	177.7	-56.3	-69.3	0	0	0	110	S42 V44 L82 S117	S42-Y119 PolarHBondContact OG-O 3.17Å; V44-Y119 WeakPolarHBondContact CB-O 3.48Å; V44-Y119 WeakPolarHBondContact CG2-O 3.32Å; L82-Y119 HydrophobicContact CD1-CD2 4.41Å; S117-Y119 PolarHBondContact O-N 2.66Å; S117-Y119 WeakPolarHBondContact OG-CD2 3.31Å; S117-Y119 PolarHBondContact OG-N 3.26Å
120	S	79	Confident	76	Confident	93 Å²	93	84.8 Å²	84.8	65%	0.65	46%	0.456	S	S	*	.	S	Bend	trans	-90.3	-14.6	176.1	52.1	0	0	0	0	114.2	S42	S42-S120 WeakPolarHBondContact OG-CA 3.43Å
121	S	82.1	Confident	77.1	Confident	54 Å²	54	76 Å²	76	38%	0.378	42%	0.423	S	S	.	.	S	Bend	trans	-159.1	157.4	174.9	-177.6	0	0	0	0	109.5	E84	E84-S121 WeakPolarHBondContact OE1-CA 3.47Å; E84-S121 VanDerWaalsContact OE1-CB 3.24Å; E84-S121 WeakPolarHBondContact OE1-CB 3.04Å; E84-S121 PolarHBondContact OE1-OG 2.75Å; E84-S121 PolarHBondContact OE2-OG 3.07Å
122	L	83.2	Confident	77.8	Confident	12 Å²	12	75.3 Å²	75.3	6%	0.063	42%	0.417	C	S	.	.			trans	-104.9	101.3	-179.5	-61.8	178.4	0	0	0	110.4	V44 N71 I73 L82 E84 N124	V44-L122 HydrophobicContact CG1-CD1 4.17Å; V44-L122 HydrophobicContact CG1-CD2 3.73Å; V44-L122 HydrophobicContact CG1-CG 3.96Å; V44-L122 HydrophobicContact CG2-CD2 4.29Å; V44-L122 HydrophobicContact CG2-CG 4.02Å; N71-L122 HydrophobicContact CB-CB 4.26Å; N71-L122 PolarHBondContact ND2-O 2.94Å; I73-L122 HydrophobicContact CD1-CB 4.16Å; I73-L122 HydrophobicContact CD1-CD1 4.33Å; I73-L122 HydrophobicContact CD1-CD2 4.19Å; I73-L122 HydrophobicContact CD1-CG 4.47Å; I73-L122 HydrophobicContact CG1-CD1 4.21Å; L82-L122 HydrophobicContact CB-CD1 3.85Å; L82-L122 HydrophobicContact CB-CD2 3.99Å; L82-L122 HydrophobicContact CD1-CD2 3.77Å; L82-L122 HydrophobicContact CG-CD2 4.5Å; E84-L122 HydrophobicContact CB-CD1 3.85Å; E84-L122 HydrophobicContact CB-CG 4.01Å; E84-L122 WeakPolarHBondContact OE2-CB 3.43Å; E84-L122 PolarHBondContact OE2-N 2.96Å; L122-N124 PolarHBondContact O-N 2.86Å
123	T	68.9	Low	78.2	Confident	134 Å²	134	78.1 Å²	78.1	82%	0.822	44%	0.438	S	S	*	.			trans	-75.4	94.3	171.5	55.6	0	0	0	0	110.5	S125	T123-S125 PolarHBondContact O-N 2.88Å; T123-S125 VanDerWaalsContact O-N 3.07Å
124	N	59.9	Low	78.5	Confident	56 Å²	56	73.2 Å²	73.2	30%	0.299	42%	0.415	S	S	.	.			trans	-74.8	96.7	178.3	-117.7	-15.9	0	0	0	111.1	N71 L122 M126	N71-N124 PolarHBondContact ND2-ND2 3.49Å; N71-N124 PolarHBondContact OD1-ND2 3.43Å; L122-N124 PolarHBondContact O-N 2.86Å; N124-M126 PolarHBondContact O-N 2.89Å
125	S	49.2	Very low	78.7	Confident	120 Å²	120	73.4 Å²	73.4	84%	0.839	42%	0.417	S	S	*	.	S	Bend	trans	-77.4	-4.4	171.5	-173.8	0	0	0	0	113.3	T123	T123-S125 PolarHBondContact O-N 2.88Å; T123-S125 VanDerWaalsContact O-N 3.07Å
126	M	54.6	Low	78.8	Confident	147 Å²	147	75.9 Å²	75.9	72%	0.724	43%	0.428	S	S	*	.	S	Bend	trans	-136.8	111.1	177.2	-69.7	178	-179.3	0	0	109	N124 N128	N124-M126 PolarHBondContact O-N 2.89Å; M126-N128 PolarHBondContact O-N 3.25Å
127	T	55.3	Low	78.9	Confident	115 Å²	115	78.5 Å²	78.5	71%	0.706	44%	0.441	S	S	*	.			trans	-69.8	94.2	175.3	47.7	0	0	0	0	110.4	N129	T127-N129 PolarHBondContact O-N 3.34Å
128	N	72	Confident	79.1	Confident	93 Å²	93	78.5 Å²	78.5	50%	0.497	44%	0.441	S	S	.	.			trans	-79.9	98.3	167.7	-83.3	-47.8	0	0	0	108.9	M126 A130 A131 T132	M126-N128 PolarHBondContact O-N 3.25Å; N128-A130 PolarHBondContact O-N 3.49Å; N128-A131 HydrophobicContact CB-CB 4.1Å; N128-A131 WeakPolarHBondContact O-CA 3.48Å; N128-A131 WeakPolarHBondContact O-CB 3.46Å; N128-A131 PolarHBondContact O-N 2.75Å; N128-T132 PolarHBondContact O-N 3.4Å
129	N	82.2	Confident	79.4	Confident	120 Å²	120	72.9 Å²	72.9	64%	0.642	42%	0.418	S	S	*	.	H	α-helix	trans	-50.1	-37.3	-178.8	-63.7	1.3	0	0	0	112.9	T127 A131 T132 S133	T127-N129 PolarHBondContact O-N 3.34Å; N129-A131 VanDerWaalsContact C-N 3.33Å; N129-A131 PolarHBondContact O-N 3.36Å; N129-T132 PolarHBondContact O-N 3.48Å; N129-S133 PolarHBondContact O-N 3.18Å; N129-S133 PolarHBondContact O-OG 2.88Å
130	A	86.3	Confident	79.8	Confident	55 Å²	55	72.2 Å²	72.2	46%	0.455	42%	0.418	S	S	.	.	H	α-helix	trans	-62.3	-35.4	176.4	0	0	0	0	0	113.6	E56 N128 A134	E56-A130 HydrophobicContact CG-CB 4.45Å; N128-A130 PolarHBondContact O-N 3.49Å; A130-A134 WeakPolarHBondContact O-CB 3.41Å; A130-A134 PolarHBondContact O-N 3.32Å; A130-A134 VanDerWaalsContact O-N 3.15Å
131	A	86.2	Confident	80.2	Confident	5 Å²	5	70.9 Å²	70.9	4%	0.041	40%	0.402	C	S	.	.	H	α-helix	trans	-73.2	-43.2	175.4	0	0	0	0	0	110.8	E56 M72 N128 N129 A134 V135	E56-A131 HydrophobicContact CG-CB 4.22Å; M72-A131 HydrophobicContact CE-CB 4.37Å; N128-A131 HydrophobicContact CB-CB 4.1Å; N128-A131 WeakPolarHBondContact O-CA 3.48Å; N128-A131 WeakPolarHBondContact O-CB 3.46Å; N128-A131 PolarHBondContact O-N 2.75Å; N129-A131 VanDerWaalsContact C-N 3.33Å; N129-A131 PolarHBondContact O-N 3.36Å; A131-A134 PolarHBondContact O-N 2.89Å; A131-V135 WeakPolarHBondContact O-CB 3.36Å; A131-V135 WeakPolarHBondContact O-CG2 3.36Å; A131-V135 PolarHBondContact O-N 2.95Å
132	T	87.7	Confident	80.5	Confident	60 Å²	60	69.5 Å²	69.5	37%	0.368	39%	0.389	S	S	.	.	H	α-helix	trans	-59.3	-51	176.5	-49.3	0	0	0	0	111.4	N128 N129 A134 V135 E136	N128-T132 PolarHBondContact O-N 3.4Å; N129-T132 PolarHBondContact O-N 3.48Å; T132-A134 VanDerWaalsContact C-N 3.32Å; T132-A134 PolarHBondContact O-N 2.98Å; T132-V135 WeakPolarHBondContact O-CB 3.5Å; T132-V135 PolarHBondContact O-N 3.12Å; T132-V135 VanDerWaalsContact O-N 3.12Å; T132-E136 WeakPolarHBondContact O-CG 3.49Å; T132-E136 PolarHBondContact O-N 3.37Å
133	S	90.7	Very high	80.8	Confident	67 Å²	67	72.5 Å²	72.5	47%	0.469	41%	0.408	S	S	.	.	H	α-helix	trans	-65.4	-32.9	178.7	-58.6	0	0	0	0	113.2	N129 V135 E137	N129-S133 PolarHBondContact O-N 3.18Å; N129-S133 PolarHBondContact O-OG 2.88Å; S133-V135 VanDerWaalsContact C-N 3.34Å; S133-E137 WeakPolarHBondContact O-CB 3.28Å; S133-E137 PolarHBondContact O-N 3.22Å; S133-E137 VanDerWaalsContact O-N 3.09Å
134	A	89.9	Confident	81.5	Confident	6 Å²	6	68.4 Å²	68.4	5%	0.05	39%	0.388	C	S	.	.	H	α-helix	trans	-69.6	-30.3	173.7	0	0	0	0	0	113.1	E56 L57 S60 M72 A130 A131 T132 A138	E56-A134 HydrophobicContact CB-CB 3.76Å; L57-A134 HydrophobicContact CB-CB 4.38Å; S60-A134 WeakPolarHBondContact CB-O 3.45Å; S60-A134 PolarHBondContact OG-O 3.47Å; M72-A134 HydrophobicContact CE-CB 3.97Å; A130-A134 WeakPolarHBondContact O-CB 3.41Å; A130-A134 PolarHBondContact O-N 3.32Å; A130-A134 VanDerWaalsContact O-N 3.15Å; A131-A134 PolarHBondContact O-N 2.89Å; T132-A134 VanDerWaalsContact C-N 3.32Å; T132-A134 PolarHBondContact O-N 2.98Å; A134-A138 VanDerWaalsContact O-CB 3.24Å; A134-A138 WeakPolarHBondContact O-CB 3.43Å; A134-A138 PolarHBondContact O-N 2.86Å
135	V	91	Very high	82.7	Confident	14 Å²	14	66.6 Å²	66.6	9%	0.085	38%	0.377	C	S	.	.	H	α-helix	trans	-74.2	-45.2	172.9	163.5	0	0	0	0	111	I69 M72 A131 T132 S133 E137 A138 N139	I69-V135 HydrophobicContact CB-CG1 4.07Å; I69-V135 HydrophobicContact CB-CG2 4.22Å; I69-V135 HydrophobicContact CD1-CG2 4.47Å; I69-V135 HydrophobicContact CG2-CG1 4.21Å; I69-V135 HydrophobicContact CG2-CG2 3.7Å; I69-V135 VanDerWaalsContact O-CG1 3.31Å; I69-V135 WeakPolarHBondContact O-CG1 3.36Å; M72-V135 HydrophobicContact CB-CG2 3.85Å; M72-V135 HydrophobicContact CE-CG2 4.22Å; A131-V135 WeakPolarHBondContact O-CB 3.36Å; A131-V135 WeakPolarHBondContact O-CG2 3.36Å; A131-V135 PolarHBondContact O-N 2.95Å; T132-V135 WeakPolarHBondContact O-CB 3.5Å; T132-V135 PolarHBondContact O-N 3.12Å; T132-V135 VanDerWaalsContact O-N 3.12Å; S133-V135 VanDerWaalsContact C-N 3.34Å; V135-E137 PolarHBondContact O-N 3.23Å; V135-A138 PolarHBondContact O-N 2.83Å; V135-N139 WeakPolarHBondContact O-CB 3.3Å; V135-N139 PolarHBondContact O-N 3.32Å
136	E	91.6	Very high	84.3	Confident	119 Å²	119	67.7 Å²	67.7	56%	0.556	36%	0.363	S	S	*	.	H	α-helix	trans	-58.4	-47.1	177.2	-72.9	168.3	174	0	0	112.1	T132 N139 K140	T132-E136 WeakPolarHBondContact O-CG 3.49Å; T132-E136 PolarHBondContact O-N 3.37Å; E136-N139 PolarHBondContact O-N 2.97Å; E136-K140 WeakPolarHBondContact O-CB 3.34Å; E136-K140 PolarHBondContact O-N 2.98Å
137	E	91.8	Very high	85.4	Confident	71 Å²	71	64.7 Å²	64.7	33%	0.332	36%	0.355	S	S	.	.	H	α-helix	trans	-69.1	-37.4	178.5	-177.8	55.3	-147.8	0	0	112.1	L57 S133 V135 K140 Q141	L57-E137 HydrophobicContact CD1-CG 4.39Å; S133-E137 WeakPolarHBondContact O-CB 3.28Å; S133-E137 PolarHBondContact O-N 3.22Å; S133-E137 VanDerWaalsContact O-N 3.09Å; V135-E137 PolarHBondContact O-N 3.23Å; E137-K140 PolarHBondContact O-N 3.2Å; E137-K140 IonicContact OE2-NZ 3.65Å; E137-K140 PolarHBondContact OE2-NZ 3.04Å; E137-Q141 WeakPolarHBondContact O-CG 3.49Å; E137-Q141 PolarHBondContact O-N 3.16Å; E137-Q141 PolarHBondContact OE1-NE2 2.95Å
138	A	90.7	Very high	86.3	Confident	2 Å²	2	63.9 Å²	63.9	2%	0.017	34%	0.344	C	S	.	.	H	α-helix	trans	-63.2	-45.5	173.3	0	0	0	0	0	112.1	I64 I69 A134 V135 K140 Q141 F142	I64-A138 HydrophobicContact CD1-CB 3.97Å; I64-A138 HydrophobicContact CG1-CB 3.62Å; I69-A138 HydrophobicContact CD1-CB 3.87Å; A134-A138 VanDerWaalsContact O-CB 3.24Å; A134-A138 WeakPolarHBondContact O-CB 3.43Å; A134-A138 PolarHBondContact O-N 2.86Å; V135-A138 PolarHBondContact O-N 2.83Å; A138-K140 VanDerWaalsContact C-N 3.33Å; A138-K140 PolarHBondContact O-N 3.22Å; A138-Q141 PolarHBondContact O-N 3.25Å; A138-F142 PolarHBondContact O-N 3.09Å
139	N	92.4	Very high	86.3	Confident	38 Å²	38	60.9 Å²	60.9	20%	0.203	33%	0.328	C	S	.	.	H	α-helix	trans	-63.6	-39.7	177.9	-71.4	-9	0	0	0	111.5	S68 I69 V135 E136 Q141 F142 V143	S68-N139 WeakPolarHBondContact CA-OD1 2.95Å; I69-N139 PolarHBondContact N-OD1 2.82Å; I69-N139 PolarHBondContact O-ND2 3.48Å; V135-N139 WeakPolarHBondContact O-CB 3.3Å; V135-N139 PolarHBondContact O-N 3.32Å; E136-N139 PolarHBondContact O-N 2.97Å; N139-Q141 PolarHBondContact O-N 3.41Å; N139-F142 PolarHBondContact O-N 3.46Å; N139-V143 WeakPolarHBondContact O-CG2 3.34Å; N139-V143 PolarHBondContact O-N 2.72Å
140	K	91.2	Very high	85.7	Confident	135 Å²	135	62 Å²	62	59%	0.587	33%	0.329	S	S	*	.	H	α-helix	trans	-61.5	-41.9	174.1	-178.1	-174.9	170.4	-162.2	0	112.2	E136 E137 A138 A144	E136-K140 WeakPolarHBondContact O-CB 3.34Å; E136-K140 PolarHBondContact O-N 2.98Å; E137-K140 PolarHBondContact O-N 3.2Å; E137-K140 IonicContact OE2-NZ 3.65Å; E137-K140 PolarHBondContact OE2-NZ 3.04Å; A138-K140 VanDerWaalsContact C-N 3.33Å; A138-K140 PolarHBondContact O-N 3.22Å; K140-A144 WeakPolarHBondContact O-CB 3.2Å; K140-A144 PolarHBondContact O-N 3.07Å
141	Q	88.1	Confident	84.7	Confident	65 Å²	65	67 Å²	67	30%	0.304	35%	0.348	S	S	.	.	H	α-helix	trans	-69.3	-37.2	175.7	-71.1	-179	34.5	0	0	112.5	I64 E137 A138 N139 A144 F145	I64-Q141 HydrophobicContact CD1-CB 4.07Å; I64-Q141 HydrophobicContact CG2-CB 4.11Å; E137-Q141 WeakPolarHBondContact O-CG 3.49Å; E137-Q141 PolarHBondContact O-N 3.16Å; E137-Q141 PolarHBondContact OE1-NE2 2.95Å; A138-Q141 PolarHBondContact O-N 3.25Å; N139-Q141 PolarHBondContact O-N 3.41Å; Q141-A144 PolarHBondContact O-N 3.01Å; Q141-F145 WeakPolarHBondContact O-CB 3.37Å; Q141-F145 PolarHBondContact O-N 2.8Å
142	F	88.3	Confident	84	Confident	25 Å²	25	68.1 Å²	68.1	11%	0.11	36%	0.355	C	S	.	.	H	α-helix	trans	-63.3	-47.1	173	171	-115.7	0	0	0	111.9	I64 S68 A138 N139 A144 F145 R146	I64-F142 HydrophobicContact CG2-CB 4.33Å; I64-F142 WeakPolarHBondContact O-CD2 3.31Å; S68-F142 WeakPolarHBondContact OG-CD1 3.15Å; A138-F142 PolarHBondContact O-N 3.09Å; N139-F142 PolarHBondContact O-N 3.46Å; F142-A144 PolarHBondContact O-N 2.92Å; F142-F145 PolarHBondContact O-N 3.46Å; F142-R146 WeakPolarHBondContact O-CB 3.31Å; F142-R146 PolarHBondContact O-N 2.82Å
143	V	88	Confident	83.6	Confident	75 Å²	75	69.2 Å²	69.2	46%	0.455	36%	0.363	S	S	.	.	H	α-helix	trans	-60.7	-44.3	176.9	170.4	0	0	0	0	111	N139 F145 R146 C147	N139-V143 WeakPolarHBondContact O-CG2 3.34Å; N139-V143 PolarHBondContact O-N 2.72Å; V143-F145 PolarHBondContact O-N 2.78Å; V143-R146 PolarHBondContact O-N 2.8Å; V143-C147 PolarHBondContact O-N 3.38Å; V143-C147 PolarHBondContact O-SG 3.41Å; V143-C147 VanDerWaalsContact O-SG 3.38Å
144	A	85.1	Confident	83.3	Confident	49 Å²	49	68.5 Å²	68.5	41%	0.405	35%	0.352	S	S	.	.	H	α-helix	trans	-58.7	-47.3	175.6	0	0	0	0	0	112	K140 Q141 F142 R146 E148	K140-A144 WeakPolarHBondContact O-CB 3.2Å; K140-A144 PolarHBondContact O-N 3.07Å; Q141-A144 PolarHBondContact O-N 3.01Å; F142-A144 PolarHBondContact O-N 2.92Å; A144-R146 PolarHBondContact O-N 2.87Å; A144-E148 VanDerWaalsContact O-CB 3.31Å; A144-E148 WeakPolarHBondContact O-CB 3.37Å; A144-E148 WeakPolarHBondContact O-CG 3.46Å; A144-E148 PolarHBondContact O-N 2.91Å
145	F	83.5	Confident	83.3	Confident	18 Å²	18	69.1 Å²	69.1	8%	0.079	36%	0.355	C	S	.	.	H	α-helix	trans	-63	-39.8	175.9	172.2	-110.2	0	0	0	113	Q141 F142 V143 E148 N149 H210 F235	Q141-F145 WeakPolarHBondContact O-CB 3.37Å; Q141-F145 PolarHBondContact O-N 2.8Å; F142-F145 PolarHBondContact O-N 3.46Å; V143-F145 PolarHBondContact O-N 2.78Å; F145-E148 PolarHBondContact O-N 3Å; F145-N149 WeakPolarHBondContact CE1-ND2 3.34Å; F145-N149 WeakPolarHBondContact CE2-ND2 3.35Å; F145-N149 WeakPolarHBondContact CZ-ND2 3.48Å; F145-N149 WeakPolarHBondContact O-CB 3.38Å; F145-N149 PolarHBondContact O-N 2.86Å; F145-N149 VanDerWaalsContact O-N 3.08Å; F145-H210 VanDerWaalsContact CB-CE1 3.47Å; F145-H210 WeakPolarHBondContact CB-CE1 3.41Å; F145-H210 AromaticContact CD1-CE1 3.51Å; F145-H210 AromaticContact CD1-ND1 3.1Å; F145-H210 WeakPolarHBondContact CD1-ND1 3.32Å; F145-H210 AromaticContact CD2-CE1 3.66Å; F145-H210 AromaticContact CD2-ND1 3.37Å; F145-H210 WeakPolarHBondContact CD2-ND1 3.49Å; F145-H210 HydrophobicContact CE1-CB 4.25Å; F145-H210 AromaticContact CE1-ND1 3.15Å; F145-H210 WeakPolarHBondContact CE1-ND1 3.5Å; F145-H210 HydrophobicContact CE2-CB 3.86Å; F145-H210 AromaticContact CE2-CG 3.79Å; F145-H210 AromaticContact CE2-ND1 3.43Å; F145-H210 WeakPolarHBondContact CE2-ND1 3.19Å; F145-H210 AromaticContact CG-CE1 3.26Å; F145-H210 WeakPolarHBondContact CG-CE1 3.31Å; F145-H210 AromaticContact CG-ND1 3.17Å; F145-H210 WeakPolarHBondContact CG-ND1 3.44Å; F145-H210 HydrophobicContact CZ-CB 3.64Å; F145-H210 AromaticContact CZ-CG 3.78Å; F145-H210 AromaticContact CZ-ND1 3.29Å; F145-H210 VanDerWaalsContact CZ-ND1 3.29Å; F145-H210 WeakPolarHBondContact CZ-ND1 3.13Å; F145-F235 AromaticContact CD2-CE2 3.62Å; F145-F235 HydrophobicContact CD2-CE2 3.62Å; F145-F235 AromaticContact CD2-CZ 3.68Å; F145-F235 HydrophobicContact CD2-CZ 3.68Å; F145-F235 HydrophobicContact CE2-CE1 4.09Å; F145-F235 AromaticContact CE2-CE2 3.8Å; F145-F235 HydrophobicContact CE2-CE2 3.8Å; F145-F235 AromaticContact CE2-CZ 3.34Å; F145-F235 HydrophobicContact CE2-CZ 3.34Å; F145-F235 HydrophobicContact CZ-CZ 4.42Å
146	R	82.8	Confident	83.3	Confident	143 Å²	143	68.5 Å²	68.5	54%	0.54	35%	0.351	S	S	.	.	H	α-helix	trans	-63	-53.1	178.3	-176.4	176.2	177.4	153.9	3.8	110.7	F142 V143 A144 E148 N149 E150	F142-R146 WeakPolarHBondContact O-CB 3.31Å; F142-R146 PolarHBondContact O-N 2.82Å; V143-R146 PolarHBondContact O-N 2.8Å; A144-R146 PolarHBondContact O-N 2.87Å; R146-E148 VanDerWaalsContact C-N 3.25Å; R146-E148 PolarHBondContact O-N 3.14Å; R146-N149 PolarHBondContact O-N 3.48Å; R146-E150 IonicContact NE-OE1 3.68Å; R146-E150 VanDerWaalsContact O-CG 3.27Å; R146-E150 WeakPolarHBondContact O-CG 3.44Å; R146-E150 PolarHBondContact O-N 3.12Å
147	C	77.8	Confident	83.3	Confident	83 Å²	83	62.8 Å²	62.8	56%	0.561	33%	0.325	S	S	*	.	H	α-helix	trans	-58	-38.3	176.4	-66.7	0	0	0	0	112.2	V143 N149	V143-C147 PolarHBondContact O-N 3.38Å; V143-C147 PolarHBondContact O-SG 3.41Å; V143-C147 VanDerWaalsContact O-SG 3.38Å; C147-N149 VanDerWaalsContact C-N 3.26Å; C147-N149 PolarHBondContact O-N 3.23Å
148	E	74.1	Confident	83.4	Confident	99 Å²	99	61.6 Å²	61.6	46%	0.463	32%	0.319	S	S	.	.	H	α-helix	trans	-70.4	-15.7	176	-81.1	-173.8	-169.5	0	0	114.8	A144 F145 R146 K154	A144-E148 VanDerWaalsContact O-CB 3.31Å; A144-E148 WeakPolarHBondContact O-CB 3.37Å; A144-E148 WeakPolarHBondContact O-CG 3.46Å; A144-E148 PolarHBondContact O-N 2.91Å; F145-E148 PolarHBondContact O-N 3Å; R146-E148 VanDerWaalsContact C-N 3.25Å; R146-E148 PolarHBondContact O-N 3.14Å; E148-K154 HydrophobicContact CB-CD 4.4Å; E148-K154 VanDerWaalsContact CD-NZ 3.34Å; E148-K154 VanDerWaalsContact O-CE 3.28Å; E148-K154 WeakPolarHBondContact O-CE 3.24Å; E148-K154 IonicContact OE2-NZ 3.77Å; E148-K154 PolarHBondContact OE2-NZ 3.01Å
149	N	73.6	Confident	83.4	Confident	30 Å²	30	61.5 Å²	61.5	16%	0.16	32%	0.318	C	S	.	.	H	α-helix	trans	-104.7	-11.8	-178.5	-95	-4.4	0	0	0	114.4	F145 R146 C147 D151 S152 K154	F145-N149 WeakPolarHBondContact CE1-ND2 3.34Å; F145-N149 WeakPolarHBondContact CE2-ND2 3.35Å; F145-N149 WeakPolarHBondContact CZ-ND2 3.48Å; F145-N149 WeakPolarHBondContact O-CB 3.38Å; F145-N149 PolarHBondContact O-N 2.86Å; F145-N149 VanDerWaalsContact O-N 3.08Å; R146-N149 PolarHBondContact O-N 3.48Å; C147-N149 VanDerWaalsContact C-N 3.26Å; C147-N149 PolarHBondContact O-N 3.23Å; N149-D151 VanDerWaalsContact C-N 3.29Å; N149-D151 PolarHBondContact O-N 3.41Å; N149-S152 CarbonylContact O-C 3.41Å; N149-S152 PolarHBondContact O-N 3.47Å; N149-K154 VanDerWaalsContact OD1-CB 3.28Å; N149-K154 WeakPolarHBondContact OD1-CB 3.47Å; N149-K154 VanDerWaalsContact OD1-CG 3.3Å; N149-K154 WeakPolarHBondContact OD1-CG 3.39Å; N149-K154 PolarHBondContact OD1-N 2.84Å
150	E	68.3	Low	83.3	Confident	144 Å²	144	62.1 Å²	62.1	67%	0.673	32%	0.32	S	S	*	.	S	Bend	trans	-65.1	-33.9	-178	-58.4	-150.5	147	0	0	111.9	R146	R146-E150 IonicContact NE-OE1 3.68Å; R146-E150 VanDerWaalsContact O-CG 3.27Å; R146-E150 WeakPolarHBondContact O-CG 3.44Å; R146-E150 PolarHBondContact O-N 3.12Å
151	D	65.5	Low	83.1	Confident	158 Å²	158	55.7 Å²	55.7	85%	0.845	29%	0.292	S	S	*	.	S	Bend	trans	-75.2	-37	176.2	-70.3	-31.9	0	0	0	113.3	N149	N149-D151 VanDerWaalsContact C-N 3.29Å; N149-D151 PolarHBondContact O-N 3.41Å
152	S	72.2	Confident	82.5	Confident	29 Å²	29	56.8 Å²	56.8	20%	0.203	30%	0.297	C	S	.	.	S	Bend	trans	-166	140	175.3	58.5	0	0	0	0	111.7	N149 K154 Q239	N149-S152 CarbonylContact O-C 3.41Å; N149-S152 PolarHBondContact O-N 3.47Å; S152-K154 PolarHBondContact O-N 2.88Å; S152-Q239 PolarHBondContact OG-NE2 2.94Å
153	P	79.3	Confident	81.5	Confident	83 Å²	83	60.6 Å²	60.6	54%	0.539	31%	0.313	S	S	.	.			trans	-69.4	117.5	-178.6	27.7	-34.3	0	0	0	111.6	T155 A206	P153-T155 PolarHBondContact O-N 2.86Å; P153-A206 HydrophobicContact CB-CB 4.11Å
154	K	84.8	Confident	80.2	Confident	52 Å²	52	59.5 Å²	59.5	23%	0.226	31%	0.305	C	S	.	.			trans	-74.1	86	177.6	-66.5	179.7	176.3	-169.2	0	111.8	E148 N149 S152 A209 F235	E148-K154 HydrophobicContact CB-CD 4.4Å; E148-K154 VanDerWaalsContact CD-NZ 3.34Å; E148-K154 VanDerWaalsContact O-CE 3.28Å; E148-K154 WeakPolarHBondContact O-CE 3.24Å; E148-K154 IonicContact OE2-NZ 3.77Å; E148-K154 PolarHBondContact OE2-NZ 3.01Å; N149-K154 VanDerWaalsContact OD1-CB 3.28Å; N149-K154 WeakPolarHBondContact OD1-CB 3.47Å; N149-K154 VanDerWaalsContact OD1-CG 3.3Å; N149-K154 WeakPolarHBondContact OD1-CG 3.39Å; N149-K154 PolarHBondContact OD1-N 2.84Å; S152-K154 PolarHBondContact O-N 2.88Å; K154-A209 WeakPolarHBondContact O-CB 3.37Å; K154-F235 HydrophobicContact CB-CB 4.49Å; K154-F235 HydrophobicContact CB-CD1 3.74Å; K154-F235 HydrophobicContact CB-CE1 4.13Å; K154-F235 HydrophobicContact CB-CG 4.12Å; K154-F235 HydrophobicContact CD-CB 3.96Å; K154-F235 HydrophobicContact CD-CD1 4.45Å; K154-F235 HydrophobicContact CD-CD2 4.2Å; K154-F235 HydrophobicContact CD-CG 3.97Å
155	T	89.1	Confident	78.8	Confident	19 Å²	19	63.3 Å²	63.3	12%	0.117	31%	0.314	C	S	.	.			trans	-86.5	-22.8	175.9	50.5	0	0	0	0	113.9	P153 Y203 Q239	P153-T155 PolarHBondContact O-N 2.86Å; T155-Y203 WeakPolarHBondContact CB-O 3.35Å; T155-Y203 PolarHBondContact O-N 3.09Å; T155-Q239 PolarHBondContact OG1-O 2.9Å
156	V	91.1	Very high	77.4	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.006	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	123.5	-174.8	-172.6	0	0	0	0	111.4	F200 L201 E202 S236 Q238 Q239 L241	V156-F200 HydrophobicContact CG1-CB 4.33Å; V156-F200 HydrophobicContact CG1-CD1 4.43Å; V156-L201 CarbonylContact C-O 3.58Å; V156-L201 WeakPolarHBondContact CA-O 3.21Å; V156-E202 HydrophobicContact CG2-CB 4.13Å; V156-E202 HydrophobicContact CG2-CG 4.01Å; V156-S236 PolarHBondContact O-N 3.31Å; V156-Q238 WeakPolarHBondContact CB-O 3.25Å; V156-Q238 WeakPolarHBondContact CG2-O 3.49Å; V156-Q239 WeakPolarHBondContact CG2-O 3.3Å; V156-L241 HydrophobicContact CG1-CD1 4.23Å; V156-L241 HydrophobicContact CG1-CD2 3.86Å; V156-L241 HydrophobicContact CG1-CG 4.05Å; V156-L241 HydrophobicContact CG2-CG 4.35Å
157	L	92.1	Very high	75.9	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	141.3	168.5	-63.8	-173.3	0	0	0	111.5	F179 F200 L201 Y203 A209 A212 K213 E234 F235	L157-F179 HydrophobicContact CD1-CD1 4.3Å; L157-F179 HydrophobicContact CD1-CE1 4.04Å; L157-F200 VanDerWaalsContact O-CA 3.29Å; L157-F200 WeakPolarHBondContact O-CA 3.48Å; L157-L201 PolarHBondContact N-O 3.27Å; L157-L201 PolarHBondContact O-N 3.42Å; L157-Y203 HydrophobicContact CD1-CE2 3.93Å; L157-Y203 HydrophobicContact CG-CE2 4.48Å; L157-A209 HydrophobicContact CD2-CB 4.09Å; L157-A209 WeakPolarHBondContact CD2-O 3.35Å; L157-A209 HydrophobicContact CG-CB 4.19Å; L157-A212 HydrophobicContact CD1-CB 3.94Å; L157-K213 HydrophobicContact CD1-CB 4.4Å; L157-K213 HydrophobicContact CD2-CB 3.9Å; L157-E234 CarbonylContact C-O 3.55Å; L157-E234 WeakPolarHBondContact CA-O 3.4Å; L157-F235 HydrophobicContact CD2-CD1 3.65Å; L157-F235 HydrophobicContact CD2-CE1 3.8Å
158	H	92.8	Very high	75.2	Confident	46 Å²	46	64.1 Å²	64.1	21%	0.213	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	121.3	162.8	-178.6	-137	0	0	0	108.8	H198 F200 T233 E234	H158-H198 AromaticContact CD2-ND1 3.99Å; H158-H198 AromaticContact NE2-CE1 3.28Å; H158-H198 PolarHBondContact NE2-CE1 2.84Å; H158-H198 VanDerWaalsContact NE2-CE1 3.28Å; H158-H198 AromaticContact NE2-ND1 3.27Å; H158-H198 PolarHBondContact NE2-ND1 3.31Å; H158-F200 HydrophobicContact CB-CD1 3.96Å; H158-F200 HydrophobicContact CB-CE1 3.74Å; H158-F200 AromaticContact CD2-CD1 3.77Å; H158-F200 AromaticContact CD2-CE1 3.27Å; H158-F200 WeakPolarHBondContact CD2-CE1 3.5Å; H158-F200 AromaticContact CD2-CZ 3.79Å; H158-F200 AromaticContact CG-CE1 3.64Å; H158-T233 WeakPolarHBondContact O-CA 3.49Å; H158-E234 IonicContact CE1-OE2 2.81Å; H158-E234 PolarHBondContact CE1-OE2 3.07Å; H158-E234 PolarHBondContact N-O 3.47Å; H158-E234 PolarHBondContact O-N 3.17Å
159	I	91.4	Very high	74.9	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	132.1	-178.9	-53.3	167.1	0	0	0	107.3	F175 F179 H198 A199 L201 L231 R232 T233	I159-F175 HydrophobicContact CD1-CD1 4.18Å; I159-F175 HydrophobicContact CG2-CD1 4Å; I159-F175 HydrophobicContact CG2-CE1 3.87Å; I159-F179 HydrophobicContact CD1-CD1 4.28Å; I159-F179 HydrophobicContact CD1-CD2 4.19Å; I159-F179 HydrophobicContact CD1-CE1 3.85Å; I159-F179 HydrophobicContact CD1-CE2 3.74Å; I159-F179 HydrophobicContact CD1-CG 4.46Å; I159-F179 HydrophobicContact CD1-CZ 3.56Å; I159-F179 HydrophobicContact CG1-CE1 4.28Å; I159-F179 HydrophobicContact CG1-CZ 3.97Å; I159-F179 HydrophobicContact CG2-CZ 4.42Å; I159-H198 CarbonylContact O-C 3.56Å; I159-H198 WeakPolarHBondContact O-CA 3.41Å; I159-A199 HydrophobicContact CB-CB 4.28Å; I159-A199 HydrophobicContact CD1-CB 4.36Å; I159-A199 PolarHBondContact N-O 3.42Å; I159-A199 PolarHBondContact O-N 3.43Å; I159-L201 HydrophobicContact CD1-CB 4.07Å; I159-L201 HydrophobicContact CD1-CD1 4.26Å; I159-L231 HydrophobicContact CG2-CD2 3.56Å; I159-R232 CarbonylContact C-O 3.5Å; I159-R232 VanDerWaalsContact CA-O 3.32Å; I159-R232 WeakPolarHBondContact CA-O 3.32Å; I159-T233 HydrophobicContact CG1-CG2 4.31Å; I159-T233 HydrophobicContact CG2-CG2 4.48Å
160	H	89.6	Confident	75.1	Confident	51 Å²	51	66 Å²	66	24%	0.236	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	135.7	176	169	-119.7	0	0	0	109.8	S196 H198 L231 R232	H160-S196 PolarHBondContact CD2-OG 3.06Å; H160-S196 VanDerWaalsContact CD2-OG 3.31Å; H160-S196 VanDerWaalsContact NE2-CB 3.34Å; H160-S196 WeakPolarHBondContact NE2-CB 3.16Å; H160-S196 PolarHBondContact NE2-OG 2.62Å; H160-H198 AromaticContact CD2-CD2 3.95Å; H160-H198 AromaticContact CD2-CE1 3.26Å; H160-H198 PolarHBondContact CD2-CE1 3.34Å; H160-H198 AromaticContact CD2-ND1 3.77Å; H160-H198 AromaticContact CD2-NE2 3.4Å; H160-H198 PolarHBondContact CD2-NE2 3.39Å; H160-H198 AromaticContact CG-CE1 3.74Å; H160-L231 CarbonylContact O-C 3.58Å; H160-R232 HydrophobicContact CB-CB 4.31Å; H160-R232 PolarHBondContact N-O 3.06Å; H160-R232 PolarHBondContact O-N 3.27Å
161	V	86.7	Confident	75.8	Confident	0 Å²	0	60 Å²	60	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	108.7	179.6	-173.5	0	0	0	0	109.5	K163 L164 F175 R197 N229 I230 L231	V161-K163 VanDerWaalsContact C-N 3.34Å; V161-K163 PolarHBondContact O-N 3.31Å; V161-L164 HydrophobicContact CB-CD1 4.17Å; V161-L164 HydrophobicContact CG1-CD1 3.85Å; V161-F175 HydrophobicContact CG2-CE1 3.93Å; V161-F175 HydrophobicContact CG2-CZ 3.95Å; V161-R197 HydrophobicContact CB-CB 4.31Å; V161-R197 HydrophobicContact CG2-CB 4.2Å; V161-R197 PolarHBondContact N-O 3.38Å; V161-N229 HydrophobicContact CG1-CB 3.63Å; V161-N229 VanDerWaalsContact CG1-OD1 3.3Å; V161-N229 WeakPolarHBondContact CG1-OD1 3.36Å; V161-I230 WeakPolarHBondContact CA-O 3.48Å; V161-L231 HydrophobicContact CG2-CD2 4.16Å
162	E	77.1	Confident	76.8	Confident	87 Å²	87	53.6 Å²	53.6	41%	0.407	29%	0.294	S	S	.	.	S	Bend	trans	-75.2	-14.1	-166	-160	-177.9	144.6	0	0	114.5	I230 R232	E162-I230 PolarHBondContact N-O 3.37Å; E162-R232 IonicContact OE1-NH2 3.63Å; E162-R232 IonicContact OE2-CZ 3.14Å; E162-R232 IonicContact OE2-NE 2.66Å; E162-R232 PolarHBondContact OE2-NE 3.29Å; E162-R232 IonicContact OE2-NH2 2.62Å; E162-R232 PolarHBondContact OE2-NH2 2.77Å
163	K	66.9	Low	77.4	Confident	105 Å²	105	53.5 Å²	53.5	46%	0.457	29%	0.291	S	S	.	.			trans	-147.1	81.9	-174.7	-69.3	-172.1	178.7	179.1	0	114.9	V161 H165 N229	V161-K163 VanDerWaalsContact C-N 3.34Å; V161-K163 PolarHBondContact O-N 3.31Å; K163-H165 PolarHBondContact O-N 3.12Å; K163-N229 PolarHBondContact O-OD1 3.12Å; K163-N229 VanDerWaalsContact O-OD1 3.1Å
164	L	61	Low	77.7	Confident	53 Å²	53	50.1 Å²	50.1	28%	0.277	27%	0.269	S	S	.	.			trans	-78.4	91	163.4	-102.6	79.5	0	0	0	110.8	V161 I170 R197	V161-L164 HydrophobicContact CB-CD1 4.17Å; V161-L164 HydrophobicContact CG1-CD1 3.85Å; L164-I170 HydrophobicContact CD1-CD1 4.11Å; L164-R197 HydrophobicContact CD1-CB 3.92Å; L164-R197 HydrophobicContact CD1-CG 3.9Å; L164-R197 HydrophobicContact CD2-CG 3.86Å
165	H	54.4	Low	77.9	Confident	129 Å²	129	47.7 Å²	47.7	60%	0.597	26%	0.258	S	S	*	.			trans	-91.7	97.9	158.1	-70.6	89.2	0	0	0	108.1	K163 N227	K163-H165 PolarHBondContact O-N 3.12Å; H165-N227 HydrophobicContact CB-CB 4.24Å; H165-N227 PolarHBondContact O-ND2 3.19Å
166	G	54.1	Low	77.9	Confident	51 Å²	51	47.1 Å²	47.1	53%	0.526	25%	0.254	S	S	.	.	S	Bend	trans	121	140.1	-179.6	0	0	0	0	0	113.2	M168	G166-M168 PolarHBondContact O-N 3.39Å
167	S	52.4	Low	77.7	Confident	128 Å²	128	48.9 Å²	48.9	90%	0.895	26%	0.263	S	S	*	.			trans	-80	51.1	-177.5	-173.6	0	0	0	0	112.7
168	M	62.9	Low	77.3	Confident	81 Å²	81	50 Å²	50	40%	0.399	27%	0.271	S	S	.	.			trans	-85.4	127.4	175.6	-172.4	161.9	69	0	0	110.8	G166 I170 F222	G166-M168 PolarHBondContact O-N 3.39Å; M168-I170 PolarHBondContact O-N 3.01Å; M168-F222 HydrophobicContact CE-CD2 4.04Å; M168-F222 HydrophobicContact CE-CE1 4.43Å; M168-F222 HydrophobicContact CE-CE2 3.59Å; M168-F222 HydrophobicContact CE-CZ 3.82Å
169	E	67.6	Low	77.1	Confident	166 Å²	166	47.9 Å²	47.9	78%	0.776	26%	0.261	S	S	*	.			trans	-78.6	99.3	173.6	-62.7	-154.9	120	0	0	111	G171 R197	E169-G171 PolarHBondContact O-N 3.17Å; E169-R197 IonicContact OE1-NH2 3.64Å
170	I	76.9	Confident	77	Confident	4 Å²	4	51 Å²	51	2%	0.021	28%	0.275	C	S	.	.			trans	-81.4	102.1	175.2	-49.6	174.5	0	0	0	109.1	L164 M168 P174 F175 S190 R197 L221 F222	L164-I170 HydrophobicContact CD1-CD1 4.11Å; M168-I170 PolarHBondContact O-N 3.01Å; I170-P174 HydrophobicContact CG2-CB 4.22Å; I170-P174 HydrophobicContact CG2-CG 4.03Å; I170-F175 HydrophobicContact CB-CE2 4.39Å; I170-F175 HydrophobicContact CG2-CD2 4.24Å; I170-F175 HydrophobicContact CG2-CE2 3.49Å; I170-F175 VanDerWaalsContact CG2-CE2 3.49Å; I170-F175 HydrophobicContact CG2-CZ 3.88Å; I170-S190 PolarHBondContact O-OG 3.49Å; I170-S190 VanDerWaalsContact O-OG 3.07Å; I170-R197 HydrophobicContact CB-CG 4.41Å; I170-R197 HydrophobicContact CD1-CB 4.45Å; I170-R197 HydrophobicContact CD1-CG 4.32Å; I170-L221 HydrophobicContact CD1-CD2 4.24Å; I170-L221 HydrophobicContact CG2-CD2 3.92Å; I170-F222 HydrophobicContact CD1-CE2 3.95Å; I170-F222 HydrophobicContact CG1-CE2 4.21Å; I170-F222 HydrophobicContact CG2-CZ 4.4Å
171	G	82.9	Confident	76.8	Confident	18 Å²	18	52 Å²	52	19%	0.186	29%	0.286	C	S	.	.			trans	-71.6	-171.1	172.2	0	0	0	0	0	113.9	E169 L173 P174 F175 S190 N248	E169-G171 PolarHBondContact O-N 3.17Å; G171-L173 PolarHBondContact O-N 3.36Å; G171-P174 WeakPolarHBondContact O-CD 3.27Å; G171-F175 VanDerWaalsContact O-CD2 3.26Å; G171-F175 WeakPolarHBondContact O-CD2 3.38Å; G171-F175 WeakPolarHBondContact O-CE2 3.43Å; G171-S190 VanDerWaalsContact C-OG 3.27Å; G171-N248 CarbonylContact C-O 3.59Å; G171-N248 WeakPolarHBondContact CA-O 3.15Å
172	Y	87	Confident	76.9	Confident	22 Å²	22	52.7 Å²	52.7	9%	0.086	29%	0.289	C	S	.	.	H	α-helix	trans	-64.5	-30.3	176.1	71.7	-96.7	0	0	0	112.7	F175 F176 D247 N248 S249 R251 F253	Y172-F175 WeakPolarHBondContact O-CB 3.43Å; Y172-F175 PolarHBondContact O-N 2.94Å; Y172-F175 VanDerWaalsContact O-N 3.15Å; Y172-F176 HydrophobicContact CD2-CB 4.33Å; Y172-F176 PolarHBondContact O-N 3.06Å; Y172-D247 WeakPolarHBondContact CD1-O 3.35Å; Y172-D247 WeakPolarHBondContact CE1-O 3.26Å; Y172-N248 WeakPolarHBondContact CD1-O 3.48Å; Y172-N248 PolarHBondContact N-O 3.49Å; Y172-S249 WeakPolarHBondContact CB-O 3.29Å; Y172-R251 HydrophobicContact CD1-CB 4.14Å; Y172-R251 HydrophobicContact CD2-CB 4.16Å; Y172-R251 HydrophobicContact CE1-CB 4Å; Y172-R251 HydrophobicContact CE2-CB 4.02Å; Y172-R251 HydrophobicContact CE2-CG 4.49Å; Y172-R251 HydrophobicContact CG-CB 4.25Å; Y172-R251 VanDerWaalsContact CZ-CD 3.48Å; Y172-R251 VanDerWaalsContact OH-CD 3.23Å; Y172-R251 WeakPolarHBondContact OH-CD 3.21Å; Y172-R251 PolarHBondContact OH-NH1 3.2Å; Y172-R251 VanDerWaalsContact OH-NH1 3.08Å; Y172-F253 HydrophobicContact CD2-CZ 4.03Å; Y172-F253 HydrophobicContact CE2-CE1 4.47Å; Y172-F253 AromaticContact CE2-CZ 3.96Å; Y172-F253 HydrophobicContact CE2-CZ 3.96Å
173	L	85.9	Confident	77.2	Confident	27 Å²	27	49.2 Å²	49.2	14%	0.141	28%	0.276	C	S	.	.	H	α-helix	trans	-63.3	-44	-163.9	178	68.8	0	0	0	114.5	G171 F175 F176 M177 W258 H266	G171-L173 PolarHBondContact O-N 3.36Å; L173-F175 VanDerWaalsContact C-N 3.32Å; L173-F175 PolarHBondContact O-N 3.37Å; L173-F176 PolarHBondContact O-N 3.15Å; L173-M177 HydrophobicContact CD1-CE 3.74Å; L173-M177 HydrophobicContact CD1-CG 4.14Å; L173-M177 HydrophobicContact CG-CG 4.48Å; L173-M177 WeakPolarHBondContact O-CB 3.38Å; L173-M177 VanDerWaalsContact O-CG 3.3Å; L173-M177 WeakPolarHBondContact O-CG 3.43Å; L173-M177 PolarHBondContact O-N 3.44Å; L173-W258 HydrophobicContact CD1-CH2 3.63Å; L173-W258 HydrophobicContact CD1-CZ3 3.93Å; L173-H266 HydrophobicContact CD1-CB 4.46Å; L173-H266 HydrophobicContact CD2-CB 3.88Å; L173-H266 WeakPolarHBondContact CD2-ND1 3.42Å
174	P	86	Confident	78.3	Confident	13 Å²	13	50.6 Å²	50.6	8%	0.084	28%	0.284	C	S	.	.	H	α-helix	trans	-60.7	-39.9	173.5	-26	37.8	0	0	0	112.7	I170 G171 M177 S178 L221 F222	I170-P174 HydrophobicContact CG2-CB 4.22Å; I170-P174 HydrophobicContact CG2-CG 4.03Å; G171-P174 WeakPolarHBondContact O-CD 3.27Å; P174-M177 PolarHBondContact O-N 2.81Å; P174-S178 WeakPolarHBondContact O-CB 3.29Å; P174-S178 PolarHBondContact O-N 3.29Å; P174-S178 PolarHBondContact O-OG 3.03Å; P174-L221 HydrophobicContact CB-CD1 4.14Å; P174-L221 HydrophobicContact CB-CD2 4.21Å; P174-L221 HydrophobicContact CB-CG 4.3Å; P174-F222 HydrophobicContact CB-CE1 4.02Å; P174-F222 HydrophobicContact CB-CZ 3.83Å; P174-F222 HydrophobicContact CG-CE1 4.19Å; P174-F222 HydrophobicContact CG-CZ 3.92Å
175	F	88.5	Confident	79.7	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.6	-46.1	175.3	-58.3	-77.1	0	0	0	111.2	I159 V161 I170 G171 Y172 L173 M177 S178 F179 V188 A199 L221 L231	I159-F175 HydrophobicContact CD1-CD1 4.18Å; I159-F175 HydrophobicContact CG2-CD1 4Å; I159-F175 HydrophobicContact CG2-CE1 3.87Å; V161-F175 HydrophobicContact CG2-CE1 3.93Å; V161-F175 HydrophobicContact CG2-CZ 3.95Å; I170-F175 HydrophobicContact CB-CE2 4.39Å; I170-F175 HydrophobicContact CG2-CD2 4.24Å; I170-F175 HydrophobicContact CG2-CE2 3.49Å; I170-F175 VanDerWaalsContact CG2-CE2 3.49Å; I170-F175 HydrophobicContact CG2-CZ 3.88Å; G171-F175 VanDerWaalsContact O-CD2 3.26Å; G171-F175 WeakPolarHBondContact O-CD2 3.38Å; G171-F175 WeakPolarHBondContact O-CE2 3.43Å; Y172-F175 WeakPolarHBondContact O-CB 3.43Å; Y172-F175 PolarHBondContact O-N 2.94Å; Y172-F175 VanDerWaalsContact O-N 3.15Å; L173-F175 VanDerWaalsContact C-N 3.32Å; L173-F175 PolarHBondContact O-N 3.37Å; F175-M177 PolarHBondContact O-N 3.28Å; F175-S178 PolarHBondContact O-N 3.14Å; F175-F179 WeakPolarHBondContact O-CB 3.32Å; F175-F179 VanDerWaalsContact O-CD2 3.22Å; F175-F179 WeakPolarHBondContact O-CD2 3.31Å; F175-F179 PolarHBondContact O-N 3.09Å; F175-F179 VanDerWaalsContact O-N 3.09Å; F175-V188 HydrophobicContact CB-CG1 4.29Å; F175-A199 HydrophobicContact CB-CB 4.42Å; F175-A199 HydrophobicContact CD1-CB 3.85Å; F175-A199 HydrophobicContact CD2-CB 3.79Å; F175-A199 HydrophobicContact CE1-CB 3.97Å; F175-A199 HydrophobicContact CE2-CB 3.91Å; F175-A199 HydrophobicContact CG-CB 3.75Å; F175-A199 HydrophobicContact CZ-CB 4Å; F175-L221 HydrophobicContact CD1-CD1 4.48Å; F175-L221 HydrophobicContact CE1-CD2 4.09Å; F175-L221 HydrophobicContact CZ-CD2 4.26Å; F175-L231 HydrophobicContact CD1-CD2 4.39Å; F175-L231 HydrophobicContact CE1-CD2 4.06Å
176	F	88.7	Confident	81.3	Confident	7 Å²	7	43.8 Å²	43.8	3%	0.031	25%	0.252	C	S	.	.	H	α-helix	trans	-57.1	-49.5	175.5	176.7	-100.5	0	0	0	111.6	Y172 L173 S178 F179 K180 I185 V188 F253 W258	Y172-F176 HydrophobicContact CD2-CB 4.33Å; Y172-F176 PolarHBondContact O-N 3.06Å; L173-F176 PolarHBondContact O-N 3.15Å; F176-S178 PolarHBondContact O-N 3.23Å; F176-F179 PolarHBondContact O-N 2.92Å; F176-K180 HydrophobicContact CE1-CD 3.84Å; F176-K180 HydrophobicContact CZ-CB 4.49Å; F176-K180 HydrophobicContact CZ-CD 3.89Å; F176-K180 HydrophobicContact CZ-CG 4.35Å; F176-K180 WeakPolarHBondContact O-CB 3.46Å; F176-K180 PolarHBondContact O-N 2.89Å; F176-I185 HydrophobicContact CD2-CB 4.27Å; F176-I185 HydrophobicContact CD2-CD1 3.61Å; F176-I185 HydrophobicContact CD2-CG2 4.42Å; F176-I185 HydrophobicContact CE2-CB 4.22Å; F176-I185 HydrophobicContact CE2-CD1 4.04Å; F176-I185 HydrophobicContact CG-CD1 4.41Å; F176-V188 HydrophobicContact CB-CG2 4.47Å; F176-F253 HydrophobicContact CB-CZ 4.27Å; F176-F253 HydrophobicContact CD1-CZ 4.44Å; F176-F253 HydrophobicContact CD2-CD1 4.49Å; F176-F253 HydrophobicContact CD2-CD2 4.13Å; F176-F253 AromaticContact CD2-CE1 3.88Å; F176-F253 HydrophobicContact CD2-CE1 3.88Å; F176-F253 AromaticContact CD2-CE2 3.47Å; F176-F253 HydrophobicContact CD2-CE2 3.47Å; F176-F253 VanDerWaalsContact CD2-CE2 3.47Å; F176-F253 AromaticContact CD2-CZ 3.31Å; F176-F253 HydrophobicContact CD2-CZ 3.31Å; F176-F253 AromaticContact CE2-CD1 3.98Å; F176-F253 HydrophobicContact CE2-CD1 3.98Å; F176-F253 HydrophobicContact CE2-CD2 4.08Å; F176-F253 AromaticContact CE2-CE1 3.71Å; F176-F253 HydrophobicContact CE2-CE1 3.71Å; F176-F253 AromaticContact CE2-CE2 3.84Å; F176-F253 HydrophobicContact CE2-CE2 3.84Å; F176-F253 HydrophobicContact CE2-CG 4.15Å; F176-F253 AromaticContact CE2-CZ 3.64Å; F176-F253 HydrophobicContact CE2-CZ 3.64Å; F176-F253 HydrophobicContact CG-CE1 4.34Å; F176-F253 HydrophobicContact CG-CE2 4.27Å; F176-F253 AromaticContact CG-CZ 3.76Å; F176-F253 HydrophobicContact CG-CZ 3.76Å; F176-F253 HydrophobicContact CZ-CD1 4.37Å; F176-F253 HydrophobicContact CZ-CE1 4.05Å; F176-F253 HydrophobicContact CZ-CZ 4.33Å; F176-W258 HydrophobicContact CD1-CD2 4.34Å; F176-W258 HydrophobicContact CD1-CE3 4.14Å; F176-W258 HydrophobicContact CD1-CZ3 4.24Å; F176-W258 HydrophobicContact CE1-CB 4.34Å; F176-W258 AromaticContact CE1-CD2 3.38Å; F176-W258 HydrophobicContact CE1-CD2 3.38Å; F176-W258 AromaticContact CE1-CE2 3.78Å; F176-W258 AromaticContact CE1-CE3 3.56Å; F176-W258 HydrophobicContact CE1-CE3 3.56Å; F176-W258 AromaticContact CE1-CG 3.74Å; F176-W258 HydrophobicContact CE1-CG 3.74Å; F176-W258 HydrophobicContact CE1-CH2 4.39Å; F176-W258 HydrophobicContact CE1-CZ2 4.27Å; F176-W258 HydrophobicContact CE1-CZ3 4.06Å; F176-W258 HydrophobicContact CZ-CB 3.78Å; F176-W258 AromaticContact CZ-CD2 3.77Å; F176-W258 HydrophobicContact CZ-CD2 3.77Å; F176-W258 HydrophobicContact CZ-CE3 4.02Å; F176-W258 AromaticContact CZ-CG 3.65Å; F176-W258 HydrophobicContact CZ-CG 3.65Å
177	M	85.8	Confident	83	Confident	38 Å²	38	43.6 Å²	43.6	19%	0.187	24%	0.236	C	C	.	.	H	α-helix	trans	-63	-40.8	-178.9	-70.9	-66.8	-178.3	0	0	113.3	L173 P174 F175 F179 W258 E263 H266 L270	L173-M177 HydrophobicContact CD1-CE 3.74Å; L173-M177 HydrophobicContact CD1-CG 4.14Å; L173-M177 HydrophobicContact CG-CG 4.48Å; L173-M177 WeakPolarHBondContact O-CB 3.38Å; L173-M177 VanDerWaalsContact O-CG 3.3Å; L173-M177 WeakPolarHBondContact O-CG 3.43Å; L173-M177 PolarHBondContact O-N 3.44Å; P174-M177 PolarHBondContact O-N 2.81Å; F175-M177 PolarHBondContact O-N 3.28Å; M177-F179 VanDerWaalsContact C-N 3.34Å; M177-W258 HydrophobicContact CE-CH2 3.56Å; M177-W258 HydrophobicContact CE-CZ2 3.34Å; M177-E263 HydrophobicContact CE-CG 3.98Å; M177-H266 HydrophobicContact CE-CB 4.32Å; M177-L270 HydrophobicContact CB-CD1 3.76Å; M177-L270 HydrophobicContact CG-CD1 4.34Å
178	S	84.9	Confident	84.9	Confident	25 Å²	25	37.5 Å²	37.5	18%	0.175	19%	0.193	C	C	.	.	H	α-helix	trans	-73.3	-23.7	179	-64.3	0	0	0	0	113.9	P174 F175 F176	P174-S178 WeakPolarHBondContact O-CB 3.29Å; P174-S178 PolarHBondContact O-N 3.29Å; P174-S178 PolarHBondContact O-OG 3.03Å; F175-S178 PolarHBondContact O-N 3.14Å; F176-S178 PolarHBondContact O-N 3.23Å
179	F	89.3	Confident	86.2	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-106	-23.2	-174.9	-76.8	-106.8	0	0	0	113.6	L157 I159 F175 F176 M177 P181 F182 I185 L201 Y203 A212 M216 L231 T233	L157-F179 HydrophobicContact CD1-CD1 4.3Å; L157-F179 HydrophobicContact CD1-CE1 4.04Å; I159-F179 HydrophobicContact CD1-CD1 4.28Å; I159-F179 HydrophobicContact CD1-CD2 4.19Å; I159-F179 HydrophobicContact CD1-CE1 3.85Å; I159-F179 HydrophobicContact CD1-CE2 3.74Å; I159-F179 HydrophobicContact CD1-CG 4.46Å; I159-F179 HydrophobicContact CD1-CZ 3.56Å; I159-F179 HydrophobicContact CG1-CE1 4.28Å; I159-F179 HydrophobicContact CG1-CZ 3.97Å; I159-F179 HydrophobicContact CG2-CZ 4.42Å; F175-F179 WeakPolarHBondContact O-CB 3.32Å; F175-F179 VanDerWaalsContact O-CD2 3.22Å; F175-F179 WeakPolarHBondContact O-CD2 3.31Å; F175-F179 PolarHBondContact O-N 3.09Å; F175-F179 VanDerWaalsContact O-N 3.09Å; F176-F179 PolarHBondContact O-N 2.92Å; M177-F179 VanDerWaalsContact C-N 3.34Å; F179-P181 VanDerWaalsContact C-N 3.25Å; F179-P181 VanDerWaalsContact O-N 3.1Å; F179-F182 VanDerWaalsContact O-CD2 3.28Å; F179-F182 WeakPolarHBondContact O-CD2 3.45Å; F179-F182 PolarHBondContact O-N 2.95Å; F179-I185 HydrophobicContact CB-CD1 4.04Å; F179-L201 HydrophobicContact CB-CD1 3.44Å; F179-L201 VanDerWaalsContact CB-CD1 3.44Å; F179-L201 HydrophobicContact CD1-CD1 4.07Å; F179-L201 HydrophobicContact CD2-CD1 4.41Å; F179-L201 HydrophobicContact CG-CD1 3.73Å; F179-Y203 WeakPolarHBondContact CB-OH 3.36Å; F179-Y203 PolarHBondContact O-OH 3.5Å; F179-A212 HydrophobicContact CD1-CB 3.98Å; F179-A212 HydrophobicContact CE1-CB 4.3Å; F179-M216 HydrophobicContact CD1-CG 4.31Å; F179-M216 HydrophobicContact CE1-CB 3.91Å; F179-M216 HydrophobicContact CE1-CG 3.86Å; F179-M216 HydrophobicContact CE2-CB 4.38Å; F179-M216 HydrophobicContact CE2-CE 4.09Å; F179-M216 HydrophobicContact CE2-CG 4.26Å; F179-M216 HydrophobicContact CZ-CB 3.66Å; F179-M216 HydrophobicContact CZ-CE 4.47Å; F179-M216 HydrophobicContact CZ-CG 3.84Å; F179-L231 HydrophobicContact CE2-CD1 4.1Å; F179-T233 HydrophobicContact CE1-CG2 4.01Å; F179-T233 HydrophobicContact CZ-CG2 3.72Å
180	K	89	Confident	87.2	Confident	66 Å²	66	27.8 Å²	27.8	29%	0.287	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-47.2	-37.5	175.3	177.1	-177.9	178.3	-179.6	0	114.2	F176 F182 G183 I185 E263	F176-K180 HydrophobicContact CE1-CD 3.84Å; F176-K180 HydrophobicContact CZ-CB 4.49Å; F176-K180 HydrophobicContact CZ-CD 3.89Å; F176-K180 HydrophobicContact CZ-CG 4.35Å; F176-K180 WeakPolarHBondContact O-CB 3.46Å; F176-K180 PolarHBondContact O-N 2.89Å; K180-F182 PolarHBondContact O-N 3.45Å; K180-F182 VanDerWaalsContact O-N 3.14Å; K180-G183 PolarHBondContact O-N 3.21Å; K180-I185 HydrophobicContact CB-CD1 4.24Å; K180-E263 IonicContact NZ-OE1 2.65Å; K180-E263 PolarHBondContact NZ-OE1 2.89Å
181	P	85.8	Confident	87.7	Confident	72 Å²	72	30.1 Å²	30.1	47%	0.468	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-61	-19.1	178.8	-26.9	37.2	0	0	0	115.7	C102 F179	C102-P181 WeakPolarHBondContact CB-O 3.13Å; C102-P181 PolarHBondContact SG-O 2.91Å; F179-P181 VanDerWaalsContact C-N 3.25Å; F179-P181 VanDerWaalsContact O-N 3.1Å
182	F	87.1	Confident	87.8	Confident	15 Å²	15	34.7 Å²	34.7	7%	0.066	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-90.1	-6.1	-179.2	-50.5	-69.1	0	0	0	113.9	Y97 F179 K180 Y203 S208 V211 A212 Q215 M216	Y97-F182 PolarHBondContact OH-O 3.45Å; F179-F182 VanDerWaalsContact O-CD2 3.28Å; F179-F182 WeakPolarHBondContact O-CD2 3.45Å; F179-F182 PolarHBondContact O-N 2.95Å; K180-F182 PolarHBondContact O-N 3.45Å; K180-F182 VanDerWaalsContact O-N 3.14Å; F182-Y203 HydrophobicContact CB-CE1 4.39Å; F182-S208 VanDerWaalsContact O-CB 3.27Å; F182-S208 WeakPolarHBondContact O-CB 3.23Å; F182-S208 PolarHBondContact O-OG 2.77Å; F182-V211 HydrophobicContact CD1-CG1 4.03Å; F182-A212 HydrophobicContact CB-CB 3.88Å; F182-A212 HydrophobicContact CD2-CB 3.56Å; F182-A212 HydrophobicContact CE2-CB 4.3Å; F182-A212 HydrophobicContact CG-CB 3.75Å; F182-Q215 HydrophobicContact CE1-CB 3.93Å; F182-Q215 HydrophobicContact CE1-CG 4.5Å; F182-Q215 HydrophobicContact CZ-CB 4.14Å; F182-M216 HydrophobicContact CD2-CG 4.37Å; F182-M216 HydrophobicContact CE2-CG 3.4Å; F182-M216 VanDerWaalsContact CE2-CG 3.4Å; F182-M216 HydrophobicContact CE2-SD 3.58Å; F182-M216 VanDerWaalsContact CE2-SD 3.58Å; F182-M216 HydrophobicContact CZ-CG 3.77Å; F182-M216 HydrophobicContact CZ-SD 3.63Å
183	G	85	Confident	87.6	Confident	14 Å²	14	38.9 Å²	38.9	14%	0.144	19%	0.191	C	C	.	.	S	Bend	trans	146.3	-178.3	176.8	0	0	0	0	0	113.5	K180 I185	K180-G183 PolarHBondContact O-N 3.21Å; G183-I185 PolarHBondContact O-N 3.46Å; G183-I185 VanDerWaalsContact O-N 3.16Å
184	Q	88.2	Confident	87.3	Confident	133 Å²	133	44.7 Å²	44.7	62%	0.621	22%	0.222	S	C	*	.			trans	-69.6	113.8	-178.7	-177.8	-179.1	8.7	0	0	110.9	S204	Q184-S204 PolarHBondContact O-N 3.43Å; Q184-S204 PolarHBondContact O-OG 3.06Å
185	I	90.6	Very high	86.7	Confident	8 Å²	8	49.6 Å²	49.6	4%	0.041	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	129.5	170.4	-57.9	167.8	0	0	0	108.1	F176 F179 K180 G183 V188 L201 Y203 F253	F176-I185 HydrophobicContact CD2-CB 4.27Å; F176-I185 HydrophobicContact CD2-CD1 3.61Å; F176-I185 HydrophobicContact CD2-CG2 4.42Å; F176-I185 HydrophobicContact CE2-CB 4.22Å; F176-I185 HydrophobicContact CE2-CD1 4.04Å; F176-I185 HydrophobicContact CG-CD1 4.41Å; F179-I185 HydrophobicContact CB-CD1 4.04Å; K180-I185 HydrophobicContact CB-CD1 4.24Å; G183-I185 PolarHBondContact O-N 3.46Å; G183-I185 VanDerWaalsContact O-N 3.16Å; I185-V188 HydrophobicContact CG2-CG2 3.63Å; I185-L201 HydrophobicContact CD1-CD1 3.87Å; I185-L201 HydrophobicContact CD1-CG 4.43Å; I185-L201 HydrophobicContact CG1-CD1 4.32Å; I185-L201 HydrophobicContact CG1-CD2 4.12Å; I185-L201 HydrophobicContact CG1-CG 4.39Å; I185-L201 HydrophobicContact CG2-CD1 4.39Å; I185-L201 HydrophobicContact CG2-CD2 4.15Å; I185-L201 HydrophobicContact CG2-CG 3.89Å; I185-Y203 HydrophobicContact CG1-CD1 4.17Å; I185-Y203 HydrophobicContact CG1-CE1 3.79Å; I185-F253 HydrophobicContact CG2-CD2 4.15Å; I185-F253 HydrophobicContact CG2-CE2 4.37Å
186	L	88.7	Confident	86.3	Confident	31 Å²	31	50.7 Å²	50.7	16%	0.162	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-46.3	174.5	-60.7	-176.9	0	0	0	111.2	E202 F253 I254	L186-E202 HydrophobicContact CB-CB 4.42Å; L186-E202 HydrophobicContact CB-CG 4.22Å; L186-E202 HydrophobicContact CD1-CG 4.2Å; L186-E202 PolarHBondContact N-O 2.93Å; L186-F253 WeakPolarHBondContact O-CA 3.43Å; L186-F253 WeakPolarHBondContact O-CB 3.49Å; L186-F253 PolarHBondContact O-N 3.33Å; L186-I254 HydrophobicContact CB-CD1 4.07Å; L186-I254 HydrophobicContact CB-CG1 4.05Å; L186-I254 HydrophobicContact CD1-CD1 4.24Å; L186-I254 HydrophobicContact CD2-CD1 4.06Å; L186-I254 HydrophobicContact CD2-CG1 3.91Å; L186-I254 HydrophobicContact CG-CD1 4.34Å; L186-I254 HydrophobicContact CG-CG1 4.47Å
187	R	90.1	Very high	86.1	Confident	48 Å²	48	51.6 Å²	51.6	18%	0.181	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	146.3	-173.3	-61.5	-174.1	-174.5	103.8	-2.4	111.6	L201 E202 L241 I243 D252	R187-L201 WeakPolarHBondContact O-CA 3.32Å; R187-E202 HydrophobicContact CB-CB 4.17Å; R187-E202 WeakPolarHBondContact CD-OE2 3.5Å; R187-E202 IonicContact CZ-OE2 2.67Å; R187-E202 PolarHBondContact N-O 3.28Å; R187-E202 VanDerWaalsContact NH1-CD 3.31Å; R187-E202 IonicContact NH1-OE1 3.66Å; R187-E202 PolarHBondContact NH1-OE1 2.91Å; R187-E202 VanDerWaalsContact NH1-OE1 3.14Å; R187-E202 IonicContact NH1-OE2 3.74Å; R187-E202 PolarHBondContact NH1-OE2 3.45Å; R187-E202 PolarHBondContact O-N 3.08Å; R187-L241 HydrophobicContact CB-CB 4.16Å; R187-L241 HydrophobicContact CB-CD1 4.21Å; R187-L241 WeakPolarHBondContact CD-O 3.28Å; R187-L241 VanDerWaalsContact CZ-O 3.28Å; R187-L241 PolarHBondContact NE-O 3.31Å; R187-L241 PolarHBondContact NH1-O 2.92Å; R187-L241 VanDerWaalsContact NH1-O 3.16Å; R187-I243 HydrophobicContact CB-CD1 3.81Å; R187-I243 HydrophobicContact CG-CD1 4.15Å; R187-D252 WeakPolarHBondContact CD-OD2 3.45Å; R187-D252 HydrophobicContact CG-CB 4.36Å; R187-D252 IonicContact CZ-OD2 2.77Å; R187-D252 IonicContact NE-OD1 3.75Å; R187-D252 IonicContact NE-OD2 3.75Å; R187-D252 PolarHBondContact NE-OD2 3.28Å; R187-D252 IonicContact NH2-OD2 3.49Å
188	V	91.4	Very high	86.3	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	137.5	170.2	-178.9	0	0	0	0	109.8	F175 F176 I185 F200 L201 C250 R251 F253	F175-V188 HydrophobicContact CB-CG1 4.29Å; F176-V188 HydrophobicContact CB-CG2 4.47Å; I185-V188 HydrophobicContact CG2-CG2 3.63Å; V188-F200 CarbonylContact C-O 3.5Å; V188-F200 WeakPolarHBondContact CA-O 3.39Å; V188-L201 HydrophobicContact CG2-CB 4.41Å; V188-L201 HydrophobicContact CG2-CD1 4.02Å; V188-L201 HydrophobicContact CG2-CG 3.96Å; V188-C250 CarbonylContact O-C 3.58Å; V188-C250 WeakPolarHBondContact O-CA 3.47Å; V188-C250 WeakPolarHBondContact O-CB 3.2Å; V188-R251 PolarHBondContact N-O 3.36Å; V188-R251 VanDerWaalsContact N-O 3.07Å; V188-R251 PolarHBondContact O-N 3.34Å; V188-F253 HydrophobicContact CB-CE2 4.22Å; V188-F253 HydrophobicContact CG2-CE2 3.83Å
189	I	90.6	Very high	86.6	Confident	39 Å²	39	49.2 Å²	49.2	20%	0.2	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	100.4	173.7	-54	178.5	0	0	0	108.4	F191 A199 F200 L241 I243 S249 C250	I189-F191 HydrophobicContact CG2-CD1 4.48Å; I189-A199 CarbonylContact O-C 3.52Å; I189-A199 WeakPolarHBondContact O-CA 3.28Å; I189-F200 PolarHBondContact N-O 2.84Å; I189-F200 PolarHBondContact O-N 2.79Å; I189-L241 HydrophobicContact CD1-CB 4.04Å; I189-L241 HydrophobicContact CD1-CD1 4.38Å; I189-L241 HydrophobicContact CD1-CD2 4.35Å; I189-L241 HydrophobicContact CD1-CG 4.49Å; I189-L241 HydrophobicContact CG1-CD1 4.36Å; I189-I243 HydrophobicContact CD1-CD1 4.4Å; I189-I243 HydrophobicContact CD1-CG1 3.81Å; I189-I243 HydrophobicContact CG1-CD1 3.87Å; I189-I243 HydrophobicContact CG1-CG1 3.8Å; I189-S249 CarbonylContact C-O 3.6Å; I189-C250 HydrophobicContact CB-CB 4.11Å; I189-C250 HydrophobicContact CG1-CB 3.88Å; I189-C250 HydrophobicContact CG2-CB 4.09Å
190	S	88.5	Confident	86.8	Confident	3 Å²	3	51.1 Å²	51.1	2%	0.021	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	146.7	164.7	90.5	0	0	0	0	111.2	I170 G171 H198 S249	I170-S190 PolarHBondContact O-OG 3.49Å; I170-S190 VanDerWaalsContact O-OG 3.07Å; G171-S190 VanDerWaalsContact C-OG 3.27Å; S190-H198 CarbonylContact C-O 3.54Å; S190-H198 VanDerWaalsContact CA-O 3.31Å; S190-H198 WeakPolarHBondContact CA-O 3.27Å; S190-S249 PolarHBondContact N-O 3.16Å; S190-S249 WeakPolarHBondContact O-CB 3.49Å; S190-S249 PolarHBondContact OG-O 3.08Å
191	F	87.6	Confident	87	Confident	54 Å²	54	48 Å²	48	24%	0.237	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	164.3	179	59.2	-78.6	0	0	0	110.6	I189 K193 H198 F200	I189-F191 HydrophobicContact CG2-CD1 4.48Å; F191-K193 HydrophobicContact CD2-CB 4.14Å; F191-K193 HydrophobicContact CE2-CB 4.04Å; F191-K193 HydrophobicContact CE2-CD 4.23Å; F191-H198 HydrophobicContact CD1-CB 4.17Å; F191-H198 HydrophobicContact CD2-CB 4.05Å; F191-H198 HydrophobicContact CE1-CB 3.66Å; F191-H198 HydrophobicContact CE2-CB 3.56Å; F191-H198 HydrophobicContact CG-CB 4.33Å; F191-H198 HydrophobicContact CZ-CB 3.34Å; F191-H198 PolarHBondContact N-O 3.21Å; F191-H198 PolarHBondContact O-N 2.76Å; F191-H198 VanDerWaalsContact O-O 3.08Å; F191-F200 HydrophobicContact CD1-CD2 4.27Å; F191-F200 HydrophobicContact CD1-CE2 4.42Å; F191-F200 AromaticContact CE1-CD2 3.38Å; F191-F200 HydrophobicContact CE1-CD2 3.38Å; F191-F200 AromaticContact CE1-CE2 3.35Å; F191-F200 HydrophobicContact CE1-CE2 3.35Å; F191-F200 HydrophobicContact CE1-CG 4.19Å; F191-F200 HydrophobicContact CE1-CZ 4.15Å; F191-F200 AromaticContact CZ-CD2 3.95Å; F191-F200 HydrophobicContact CZ-CD2 3.95Å; F191-F200 AromaticContact CZ-CE2 3.4Å; F191-F200 HydrophobicContact CZ-CE2 3.4Å; F191-F200 VanDerWaalsContact CZ-CE2 3.4Å; F191-F200 AromaticContact CZ-CZ 3.88Å; F191-F200 HydrophobicContact CZ-CZ 3.88Å
192	K	84.7	Confident	87.3	Confident	114 Å²	114	45 Å²	45	50%	0.496	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	133	172.9	-170.9	174.1	178.2	175.7	0	108.9	D195	K192-D195 WeakPolarHBondContact CE-O 3.19Å; K192-D195 WeakPolarHBondContact CE-OD1 3.32Å; K192-D195 IonicContact NZ-OD1 2.93Å; K192-D195 PolarHBondContact NZ-OD1 2.76Å
193	K	82.7	Confident	87.5	Confident	109 Å²	109	44.3 Å²	44.3	47%	0.474	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	131.7	176.5	179.3	-178.9	179.1	-179.7	0	108.4	F191 D195 S196	F191-K193 HydrophobicContact CD2-CB 4.14Å; F191-K193 HydrophobicContact CE2-CB 4.04Å; F191-K193 HydrophobicContact CE2-CD 4.23Å; K193-D195 PolarHBondContact O-N 2.87Å; K193-S196 PolarHBondContact N-O 3.3Å; K193-S196 PolarHBondContact O-N 3.36Å; K193-S196 VanDerWaalsContact O-N 3.08Å; K193-S196 VanDerWaalsContact O-O 3.06Å; K193-S196 PolarHBondContact O-OG 2.76Å
194	N	79.1	Confident	87.7	Confident	149 Å²	149	46.5 Å²	46.5	80%	0.797	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.2	42.6	178.6	-57.9	-2.2	0	0	0	113.6	S196	N194-S196 PolarHBondContact O-N 2.96Å
195	D	73.8	Confident	87.6	Confident	117 Å²	117	43.1 Å²	43.1	63%	0.626	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.1	-19.4	-174.1	-147.7	38.9	0	0	0	117.3	K192 K193	K192-D195 WeakPolarHBondContact CE-O 3.19Å; K192-D195 WeakPolarHBondContact CE-OD1 3.32Å; K192-D195 IonicContact NZ-OD1 2.93Å; K192-D195 PolarHBondContact NZ-OD1 2.76Å; K193-D195 PolarHBondContact O-N 2.87Å
196	S	79.7	Confident	87.5	Confident	22 Å²	22	43.3 Å²	43.3	15%	0.154	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	158.6	170.9	65.1	0	0	0	0	112.9	H160 K193 N194 H198	H160-S196 PolarHBondContact CD2-OG 3.06Å; H160-S196 VanDerWaalsContact CD2-OG 3.31Å; H160-S196 VanDerWaalsContact NE2-CB 3.34Å; H160-S196 WeakPolarHBondContact NE2-CB 3.16Å; H160-S196 PolarHBondContact NE2-OG 2.62Å; K193-S196 PolarHBondContact N-O 3.3Å; K193-S196 PolarHBondContact O-N 3.36Å; K193-S196 VanDerWaalsContact O-N 3.08Å; K193-S196 VanDerWaalsContact O-O 3.06Å; K193-S196 PolarHBondContact O-OG 2.76Å; N194-S196 PolarHBondContact O-N 2.96Å; S196-H198 PolarHBondContact OG-NE2 2.72Å
197	R	85.6	Confident	87.6	Confident	27 Å²	27	43.8 Å²	43.8	10%	0.102	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	136	171.8	-76.6	-72.7	-178.4	172.4	-2.1	109.4	V161 L164 E169 I170	V161-R197 HydrophobicContact CB-CB 4.31Å; V161-R197 HydrophobicContact CG2-CB 4.2Å; V161-R197 PolarHBondContact N-O 3.38Å; L164-R197 HydrophobicContact CD1-CB 3.92Å; L164-R197 HydrophobicContact CD1-CG 3.9Å; L164-R197 HydrophobicContact CD2-CG 3.86Å; E169-R197 IonicContact OE1-NH2 3.64Å; I170-R197 HydrophobicContact CB-CG 4.41Å; I170-R197 HydrophobicContact CD1-CB 4.45Å; I170-R197 HydrophobicContact CD1-CG 4.32Å
198	H	90.1	Very high	87.6	Confident	13 Å²	13	41.7 Å²	41.7	6%	0.06	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	158.5	175	-71.2	-101.3	0	0	0	109.4	H158 I159 H160 S190 F191 S196	H158-H198 AromaticContact CD2-ND1 3.99Å; H158-H198 AromaticContact NE2-CE1 3.28Å; H158-H198 PolarHBondContact NE2-CE1 2.84Å; H158-H198 VanDerWaalsContact NE2-CE1 3.28Å; H158-H198 AromaticContact NE2-ND1 3.27Å; H158-H198 PolarHBondContact NE2-ND1 3.31Å; I159-H198 CarbonylContact O-C 3.56Å; I159-H198 WeakPolarHBondContact O-CA 3.41Å; H160-H198 AromaticContact CD2-CD2 3.95Å; H160-H198 AromaticContact CD2-CE1 3.26Å; H160-H198 PolarHBondContact CD2-CE1 3.34Å; H160-H198 AromaticContact CD2-ND1 3.77Å; H160-H198 AromaticContact CD2-NE2 3.4Å; H160-H198 PolarHBondContact CD2-NE2 3.39Å; H160-H198 AromaticContact CG-CE1 3.74Å; S190-H198 CarbonylContact C-O 3.54Å; S190-H198 VanDerWaalsContact CA-O 3.31Å; S190-H198 WeakPolarHBondContact CA-O 3.27Å; F191-H198 HydrophobicContact CD1-CB 4.17Å; F191-H198 HydrophobicContact CD2-CB 4.05Å; F191-H198 HydrophobicContact CE1-CB 3.66Å; F191-H198 HydrophobicContact CE2-CB 3.56Å; F191-H198 HydrophobicContact CG-CB 4.33Å; F191-H198 HydrophobicContact CZ-CB 3.34Å; F191-H198 PolarHBondContact N-O 3.21Å; F191-H198 PolarHBondContact O-N 2.76Å; F191-H198 VanDerWaalsContact O-O 3.08Å; S196-H198 PolarHBondContact OG-NE2 2.72Å
199	A	91	Very high	87.6	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	146.2	163.9	0	0	0	0	0	111.1	I159 F175 I189	I159-A199 HydrophobicContact CB-CB 4.28Å; I159-A199 HydrophobicContact CD1-CB 4.36Å; I159-A199 PolarHBondContact N-O 3.42Å; I159-A199 PolarHBondContact O-N 3.43Å; F175-A199 HydrophobicContact CB-CB 4.42Å; F175-A199 HydrophobicContact CD1-CB 3.85Å; F175-A199 HydrophobicContact CD2-CB 3.79Å; F175-A199 HydrophobicContact CE1-CB 3.97Å; F175-A199 HydrophobicContact CE2-CB 3.91Å; F175-A199 HydrophobicContact CG-CB 3.75Å; F175-A199 HydrophobicContact CZ-CB 4Å; I189-A199 CarbonylContact O-C 3.52Å; I189-A199 WeakPolarHBondContact O-CA 3.28Å
200	F	93.4	Very high	87.6	Confident	39 Å²	39	40 Å²	40	17%	0.171	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	141.8	159.5	-64.2	-65.3	0	0	0	109.4	V156 L157 H158 V188 I189 F191 S236 L241	V156-F200 HydrophobicContact CG1-CB 4.33Å; V156-F200 HydrophobicContact CG1-CD1 4.43Å; L157-F200 VanDerWaalsContact O-CA 3.29Å; L157-F200 WeakPolarHBondContact O-CA 3.48Å; H158-F200 HydrophobicContact CB-CD1 3.96Å; H158-F200 HydrophobicContact CB-CE1 3.74Å; H158-F200 AromaticContact CD2-CD1 3.77Å; H158-F200 AromaticContact CD2-CE1 3.27Å; H158-F200 WeakPolarHBondContact CD2-CE1 3.5Å; H158-F200 AromaticContact CD2-CZ 3.79Å; H158-F200 AromaticContact CG-CE1 3.64Å; V188-F200 CarbonylContact C-O 3.5Å; V188-F200 WeakPolarHBondContact CA-O 3.39Å; I189-F200 PolarHBondContact N-O 2.84Å; I189-F200 PolarHBondContact O-N 2.79Å; F191-F200 HydrophobicContact CD1-CD2 4.27Å; F191-F200 HydrophobicContact CD1-CE2 4.42Å; F191-F200 AromaticContact CE1-CD2 3.38Å; F191-F200 HydrophobicContact CE1-CD2 3.38Å; F191-F200 AromaticContact CE1-CE2 3.35Å; F191-F200 HydrophobicContact CE1-CE2 3.35Å; F191-F200 HydrophobicContact CE1-CG 4.19Å; F191-F200 HydrophobicContact CE1-CZ 4.15Å; F191-F200 AromaticContact CZ-CD2 3.95Å; F191-F200 HydrophobicContact CZ-CD2 3.95Å; F191-F200 AromaticContact CZ-CE2 3.4Å; F191-F200 HydrophobicContact CZ-CE2 3.4Å; F191-F200 VanDerWaalsContact CZ-CE2 3.4Å; F191-F200 AromaticContact CZ-CZ 3.88Å; F191-F200 HydrophobicContact CZ-CZ 3.88Å; F200-S236 VanDerWaalsContact CE1-OG 3.26Å; F200-S236 WeakPolarHBondContact CE1-OG 3.4Å; F200-L241 HydrophobicContact CB-CD1 3.67Å; F200-L241 HydrophobicContact CB-CD2 3.66Å; F200-L241 HydrophobicContact CB-CG 4.33Å; F200-L241 HydrophobicContact CG-CD2 4.15Å
201	L	93	Very high	87.6	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	121.2	-179.4	-179	157.4	0	0	0	109.1	V156 L157 I159 F179 I185 R187 V188 Y203	V156-L201 CarbonylContact C-O 3.58Å; V156-L201 WeakPolarHBondContact CA-O 3.21Å; L157-L201 PolarHBondContact N-O 3.27Å; L157-L201 PolarHBondContact O-N 3.42Å; I159-L201 HydrophobicContact CD1-CB 4.07Å; I159-L201 HydrophobicContact CD1-CD1 4.26Å; F179-L201 HydrophobicContact CB-CD1 3.44Å; F179-L201 VanDerWaalsContact CB-CD1 3.44Å; F179-L201 HydrophobicContact CD1-CD1 4.07Å; F179-L201 HydrophobicContact CD2-CD1 4.41Å; F179-L201 HydrophobicContact CG-CD1 3.73Å; I185-L201 HydrophobicContact CD1-CD1 3.87Å; I185-L201 HydrophobicContact CD1-CG 4.43Å; I185-L201 HydrophobicContact CG1-CD1 4.32Å; I185-L201 HydrophobicContact CG1-CD2 4.12Å; I185-L201 HydrophobicContact CG1-CG 4.39Å; I185-L201 HydrophobicContact CG2-CD1 4.39Å; I185-L201 HydrophobicContact CG2-CD2 4.15Å; I185-L201 HydrophobicContact CG2-CG 3.89Å; R187-L201 WeakPolarHBondContact O-CA 3.32Å; V188-L201 HydrophobicContact CG2-CB 4.41Å; V188-L201 HydrophobicContact CG2-CD1 4.02Å; V188-L201 HydrophobicContact CG2-CG 3.96Å; L201-Y203 HydrophobicContact CD2-CD1 4.42Å; L201-Y203 HydrophobicContact CD2-CD2 3.42Å; L201-Y203 VanDerWaalsContact CD2-CD2 3.42Å; L201-Y203 HydrophobicContact CD2-CE1 4.25Å; L201-Y203 HydrophobicContact CD2-CE2 3.23Å; L201-Y203 HydrophobicContact CD2-CG 4.05Å
202	E	92.4	Very high	87.8	Confident	10 Å²	10	37.3 Å²	37.3	5%	0.047	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	120.9	-179.6	-175.1	177.8	175.6	0	0	109.7	V156 L186 R187 L241	V156-E202 HydrophobicContact CG2-CB 4.13Å; V156-E202 HydrophobicContact CG2-CG 4.01Å; L186-E202 HydrophobicContact CB-CB 4.42Å; L186-E202 HydrophobicContact CB-CG 4.22Å; L186-E202 HydrophobicContact CD1-CG 4.2Å; L186-E202 PolarHBondContact N-O 2.93Å; R187-E202 HydrophobicContact CB-CB 4.17Å; R187-E202 WeakPolarHBondContact CD-OE2 3.5Å; R187-E202 IonicContact CZ-OE2 2.67Å; R187-E202 PolarHBondContact N-O 3.28Å; R187-E202 VanDerWaalsContact NH1-CD 3.31Å; R187-E202 IonicContact NH1-OE1 3.66Å; R187-E202 PolarHBondContact NH1-OE1 2.91Å; R187-E202 VanDerWaalsContact NH1-OE1 3.14Å; R187-E202 IonicContact NH1-OE2 3.74Å; R187-E202 PolarHBondContact NH1-OE2 3.45Å; R187-E202 PolarHBondContact O-N 3.08Å; E202-L241 HydrophobicContact CB-CD1 3.9Å; E202-L241 HydrophobicContact CB-CG 4.12Å; E202-L241 WeakPolarHBondContact OE2-CB 3.22Å; E202-L241 PolarHBondContact OE2-N 3.37Å
203	Y	91.9	Very high	88.1	Confident	1 Å²	1	34.3 Å²	34.3	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	156.5	170.9	-79.3	-78.8	0	0	0	112.1	T155 L157 F179 F182 I185 L201 N205 A209 A212	T155-Y203 WeakPolarHBondContact CB-O 3.35Å; T155-Y203 PolarHBondContact O-N 3.09Å; L157-Y203 HydrophobicContact CD1-CE2 3.93Å; L157-Y203 HydrophobicContact CG-CE2 4.48Å; F179-Y203 WeakPolarHBondContact CB-OH 3.36Å; F179-Y203 PolarHBondContact O-OH 3.5Å; F182-Y203 HydrophobicContact CB-CE1 4.39Å; I185-Y203 HydrophobicContact CG1-CD1 4.17Å; I185-Y203 HydrophobicContact CG1-CE1 3.79Å; L201-Y203 HydrophobicContact CD2-CD1 4.42Å; L201-Y203 HydrophobicContact CD2-CD2 3.42Å; L201-Y203 VanDerWaalsContact CD2-CD2 3.42Å; L201-Y203 HydrophobicContact CD2-CE1 4.25Å; L201-Y203 HydrophobicContact CD2-CE2 3.23Å; L201-Y203 HydrophobicContact CD2-CG 4.05Å; Y203-N205 WeakPolarHBondContact CB-O 3.26Å; Y203-N205 PolarHBondContact O-N 3.39Å; Y203-A209 VanDerWaalsContact CD2-CA 3.43Å; Y203-A209 HydrophobicContact CD2-CB 3.77Å; Y203-A209 HydrophobicContact CG-CB 4.47Å; Y203-A212 HydrophobicContact CE2-CB 3.75Å; Y203-A212 WeakPolarHBondContact OH-CB 3.38Å
204	S	88.5	Confident	88.4	Confident	59 Å²	59	31 Å²	31	41%	0.413	17%	0.167	S	C	.	.	S	Bend	trans	-67	-19	168.8	62.1	0	0	0	0	114.1	Q184	Q184-S204 PolarHBondContact O-N 3.43Å; Q184-S204 PolarHBondContact O-OG 3.06Å
205	N	86.6	Confident	88.6	Confident	63 Å²	63	25.6 Å²	25.6	34%	0.337	14%	0.136	S	C	.	.	S	Bend	trans	-139.8	132.9	-174.7	-172.4	-13.7	0	0	0	111.1	Y203 I207 S208 A209	Y203-N205 WeakPolarHBondContact CB-O 3.26Å; Y203-N205 PolarHBondContact O-N 3.39Å; N205-I207 PolarHBondContact O-N 2.76Å; N205-I207 PolarHBondContact OD1-N 3.4Å; N205-S208 PolarHBondContact O-N 3.37Å; N205-S208 VanDerWaalsContact O-N 3.15Å; N205-A209 PolarHBondContact O-N 3.09Å
206	A	89.2	Confident	89.2	Confident	12 Å²	12	20.8 Å²	20.8	10%	0.099	11%	0.11	C	C	.	.	H	α-helix	trans	-63	-28	177	0	0	0	0	0	113.1	P153 A209 H210	P153-A206 HydrophobicContact CB-CB 4.11Å; A206-A209 PolarHBondContact O-N 2.96Å; A206-H210 PolarHBondContact O-N 3.15Å
207	I	89.4	Confident	89.6	Confident	41 Å²	41	23.6 Å²	23.6	21%	0.21	12%	0.124	C	C	.	.	H	α-helix	trans	-64.4	-44.4	173.7	-58.8	177.6	0	0	0	110.1	P65 F66 Y97 N205 A209 H210 V211	P65-I207 HydrophobicContact CB-CG2 4.23Å; F66-I207 HydrophobicContact CD1-CG2 4.09Å; F66-I207 HydrophobicContact CE1-CG2 3.51Å; F66-I207 HydrophobicContact CZ-CG2 4.08Å; Y97-I207 HydrophobicContact CD2-CG2 3.74Å; Y97-I207 HydrophobicContact CE2-CB 4.39Å; Y97-I207 HydrophobicContact CE2-CG2 3.74Å; N205-I207 PolarHBondContact O-N 2.76Å; N205-I207 PolarHBondContact OD1-N 3.4Å; I207-A209 PolarHBondContact O-N 3.27Å; I207-H210 PolarHBondContact O-N 3.39Å; I207-H210 VanDerWaalsContact O-N 3.16Å; I207-V211 HydrophobicContact CG2-CG2 4.3Å; I207-V211 WeakPolarHBondContact O-CG2 3.17Å; I207-V211 PolarHBondContact O-N 3.36Å
208	S	90.4	Very high	89.5	Confident	3 Å²	3	24.2 Å²	24.2	2%	0.021	14%	0.138	C	C	.	.	H	α-helix	trans	-63	-40.3	176.2	-70.6	0	0	0	0	112.6	Y97 F182 N205 H210 A212	Y97-S208 WeakPolarHBondContact OH-CA 3.47Å; Y97-S208 PolarHBondContact OH-OG 2.83Å; F182-S208 VanDerWaalsContact O-CB 3.27Å; F182-S208 WeakPolarHBondContact O-CB 3.23Å; F182-S208 PolarHBondContact O-OG 2.77Å; N205-S208 PolarHBondContact O-N 3.37Å; N205-S208 VanDerWaalsContact O-N 3.15Å; S208-H210 VanDerWaalsContact C-N 3.35Å; S208-H210 PolarHBondContact O-N 3.17Å; S208-A212 VanDerWaalsContact O-CB 3.25Å; S208-A212 WeakPolarHBondContact O-CB 3.34Å; S208-A212 PolarHBondContact O-N 3.47Å
209	A	91.1	Very high	89.1	Confident	0 Å²	0	26 Å²	26	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59.1	-45.6	172	0	0	0	0	0	111.6	K154 L157 Y203 N205 A206 I207 K213 F235	K154-A209 WeakPolarHBondContact O-CB 3.37Å; L157-A209 HydrophobicContact CD2-CB 4.09Å; L157-A209 WeakPolarHBondContact CD2-O 3.35Å; L157-A209 HydrophobicContact CG-CB 4.19Å; Y203-A209 VanDerWaalsContact CD2-CA 3.43Å; Y203-A209 HydrophobicContact CD2-CB 3.77Å; Y203-A209 HydrophobicContact CG-CB 4.47Å; N205-A209 PolarHBondContact O-N 3.09Å; A206-A209 PolarHBondContact O-N 2.96Å; I207-A209 PolarHBondContact O-N 3.27Å; A209-K213 VanDerWaalsContact O-CB 3.32Å; A209-K213 WeakPolarHBondContact O-CB 3.45Å; A209-K213 PolarHBondContact O-N 2.71Å; A209-F235 HydrophobicContact CB-CE1 4.08Å
210	H	90.6	Very high	88.6	Confident	4 Å²	4	27.9 Å²	27.9	2%	0.019	16%	0.162	C	C	.	.	H	α-helix	trans	-66.5	-47.3	179.2	-162.1	170.1	0	0	0	112.7	P65 F145 A206 I207 S208 A212 K213 L214 F235	P65-H210 HydrophobicContact CB-CB 4.19Å; P65-H210 HydrophobicContact CG-CB 4.37Å; F145-H210 VanDerWaalsContact CB-CE1 3.47Å; F145-H210 WeakPolarHBondContact CB-CE1 3.41Å; F145-H210 AromaticContact CD1-CE1 3.51Å; F145-H210 AromaticContact CD1-ND1 3.1Å; F145-H210 WeakPolarHBondContact CD1-ND1 3.32Å; F145-H210 AromaticContact CD2-CE1 3.66Å; F145-H210 AromaticContact CD2-ND1 3.37Å; F145-H210 WeakPolarHBondContact CD2-ND1 3.49Å; F145-H210 HydrophobicContact CE1-CB 4.25Å; F145-H210 AromaticContact CE1-ND1 3.15Å; F145-H210 WeakPolarHBondContact CE1-ND1 3.5Å; F145-H210 HydrophobicContact CE2-CB 3.86Å; F145-H210 AromaticContact CE2-CG 3.79Å; F145-H210 AromaticContact CE2-ND1 3.43Å; F145-H210 WeakPolarHBondContact CE2-ND1 3.19Å; F145-H210 AromaticContact CG-CE1 3.26Å; F145-H210 WeakPolarHBondContact CG-CE1 3.31Å; F145-H210 AromaticContact CG-ND1 3.17Å; F145-H210 WeakPolarHBondContact CG-ND1 3.44Å; F145-H210 HydrophobicContact CZ-CB 3.64Å; F145-H210 AromaticContact CZ-CG 3.78Å; F145-H210 AromaticContact CZ-ND1 3.29Å; F145-H210 VanDerWaalsContact CZ-ND1 3.29Å; F145-H210 WeakPolarHBondContact CZ-ND1 3.13Å; A206-H210 PolarHBondContact O-N 3.15Å; I207-H210 PolarHBondContact O-N 3.39Å; I207-H210 VanDerWaalsContact O-N 3.16Å; S208-H210 VanDerWaalsContact C-N 3.35Å; S208-H210 PolarHBondContact O-N 3.17Å; H210-A212 VanDerWaalsContact C-N 3.34Å; H210-A212 PolarHBondContact O-N 2.85Å; H210-K213 WeakPolarHBondContact O-CB 3.46Å; H210-K213 PolarHBondContact O-N 2.72Å; H210-L214 PolarHBondContact O-N 3.42Å; H210-F235 HydrophobicContact CB-CZ 3.93Å; H210-F235 AromaticContact CG-CZ 3.98Å
211	V	90	Very high	87.9	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.006	15%	0.154	C	C	.	.	H	α-helix	trans	-57.6	-47.6	176.9	172.8	0	0	0	0	110.6	P65 F66 Y97 Y98 F182 I207 K213 L214 Q215	P65-V211 HydrophobicContact CB-CG2 3.82Å; P65-V211 HydrophobicContact CG-CG2 3.68Å; F66-V211 HydrophobicContact CE2-CG2 4.33Å; F66-V211 HydrophobicContact CZ-CG2 3.96Å; Y97-V211 HydrophobicContact CE1-CB 4.25Å; Y97-V211 HydrophobicContact CE1-CG1 4.03Å; Y97-V211 HydrophobicContact CE1-CG2 3.8Å; Y97-V211 HydrophobicContact CE2-CG2 4.42Å; Y97-V211 WeakPolarHBondContact OH-CB 3.37Å; Y98-V211 HydrophobicContact CE1-CG1 4.29Å; F182-V211 HydrophobicContact CD1-CG1 4.03Å; I207-V211 HydrophobicContact CG2-CG2 4.3Å; I207-V211 WeakPolarHBondContact O-CG2 3.17Å; I207-V211 PolarHBondContact O-N 3.36Å; V211-K213 PolarHBondContact O-N 3.1Å; V211-L214 PolarHBondContact O-N 2.81Å; V211-Q215 HydrophobicContact CG1-CG 4.46Å; V211-Q215 WeakPolarHBondContact O-CG 3.29Å; V211-Q215 PolarHBondContact O-N 3.32Å
212	A	90.2	Very high	87.1	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63	-40.4	177.8	0	0	0	0	0	112.4	L157 F179 F182 Y203 S208 H210 L214 Q215 M216	L157-A212 HydrophobicContact CD1-CB 3.94Å; F179-A212 HydrophobicContact CD1-CB 3.98Å; F179-A212 HydrophobicContact CE1-CB 4.3Å; F182-A212 HydrophobicContact CB-CB 3.88Å; F182-A212 HydrophobicContact CD2-CB 3.56Å; F182-A212 HydrophobicContact CE2-CB 4.3Å; F182-A212 HydrophobicContact CG-CB 3.75Å; Y203-A212 HydrophobicContact CE2-CB 3.75Å; Y203-A212 WeakPolarHBondContact OH-CB 3.38Å; S208-A212 VanDerWaalsContact O-CB 3.25Å; S208-A212 WeakPolarHBondContact O-CB 3.34Å; S208-A212 PolarHBondContact O-N 3.47Å; H210-A212 VanDerWaalsContact C-N 3.34Å; H210-A212 PolarHBondContact O-N 2.85Å; A212-L214 VanDerWaalsContact C-N 3.33Å; A212-L214 PolarHBondContact O-N 3.2Å; A212-Q215 PolarHBondContact O-N 3.07Å; A212-M216 VanDerWaalsContact O-CB 3.26Å; A212-M216 WeakPolarHBondContact O-CB 3.16Å; A212-M216 WeakPolarHBondContact O-CG 3.41Å; A212-M216 PolarHBondContact O-N 2.79Å
213	K	91.2	Very high	85.7	Confident	50 Å²	50	29.5 Å²	29.5	22%	0.217	18%	0.176	C	C	.	.	H	α-helix	trans	-60.5	-38.1	174	169	174.2	170.1	-80	0	112.7	L157 A209 H210 V211 N217 T233 F235	L157-K213 HydrophobicContact CD1-CB 4.4Å; L157-K213 HydrophobicContact CD2-CB 3.9Å; A209-K213 VanDerWaalsContact O-CB 3.32Å; A209-K213 WeakPolarHBondContact O-CB 3.45Å; A209-K213 PolarHBondContact O-N 2.71Å; H210-K213 WeakPolarHBondContact O-CB 3.46Å; H210-K213 PolarHBondContact O-N 2.72Å; V211-K213 PolarHBondContact O-N 3.1Å; K213-N217 WeakPolarHBondContact O-CB 3.37Å; K213-T233 PolarHBondContact O-OG1 2.69Å; K213-F235 HydrophobicContact CD-CD1 4.37Å; K213-F235 HydrophobicContact CD-CD2 3.65Å; K213-F235 HydrophobicContact CD-CE1 4.22Å; K213-F235 HydrophobicContact CD-CE2 3.48Å; K213-F235 VanDerWaalsContact CD-CE2 3.48Å; K213-F235 HydrophobicContact CD-CG 4.09Å; K213-F235 HydrophobicContact CD-CZ 3.77Å
214	L	88.5	Confident	84.2	Confident	41 Å²	41	36.5 Å²	36.5	22%	0.215	21%	0.211	C	C	.	.	H	α-helix	trans	-77.4	-38.6	179.2	-68.2	173.9	0	0	0	112.1	T61 I64 P65 H210 V211 A212	T61-L214 WeakPolarHBondContact O-CD1 3.32Å; I64-L214 HydrophobicContact CB-CD1 3.92Å; I64-L214 HydrophobicContact CD1-CD1 4.42Å; I64-L214 HydrophobicContact CG2-CD1 4.05Å; P65-L214 HydrophobicContact CG-CD1 3.85Å; H210-L214 PolarHBondContact O-N 3.42Å; V211-L214 PolarHBondContact O-N 2.81Å; A212-L214 VanDerWaalsContact C-N 3.33Å; A212-L214 PolarHBondContact O-N 3.2Å
215	Q	84.8	Confident	82.8	Confident	34 Å²	34	37.2 Å²	37.2	16%	0.159	21%	0.208	C	C	.	.	H	α-helix	trans	-84.3	-28.1	-175	-64.7	-167.6	18.8	0	0	114.1	F182 V211 A212 V219	F182-Q215 HydrophobicContact CE1-CB 3.93Å; F182-Q215 HydrophobicContact CE1-CG 4.5Å; F182-Q215 HydrophobicContact CZ-CB 4.14Å; V211-Q215 HydrophobicContact CG1-CG 4.46Å; V211-Q215 WeakPolarHBondContact O-CG 3.29Å; V211-Q215 PolarHBondContact O-N 3.32Å; A212-Q215 PolarHBondContact O-N 3.07Å; Q215-V219 VanDerWaalsContact O-CG2 3.23Å; Q215-V219 WeakPolarHBondContact O-CG2 3.42Å
216	M	86.8	Confident	80.9	Confident	17 Å²	17	39.3 Å²	39.3	8%	0.084	23%	0.227	C	C	.	.	H	α-helix	trans	-95	-11.9	-178.2	-63.1	-58.5	-65.3	0	0	114.7	F179 F182 A212 G218 V219 L231 T233	F179-M216 HydrophobicContact CD1-CG 4.31Å; F179-M216 HydrophobicContact CE1-CB 3.91Å; F179-M216 HydrophobicContact CE1-CG 3.86Å; F179-M216 HydrophobicContact CE2-CB 4.38Å; F179-M216 HydrophobicContact CE2-CE 4.09Å; F179-M216 HydrophobicContact CE2-CG 4.26Å; F179-M216 HydrophobicContact CZ-CB 3.66Å; F179-M216 HydrophobicContact CZ-CE 4.47Å; F179-M216 HydrophobicContact CZ-CG 3.84Å; F182-M216 HydrophobicContact CD2-CG 4.37Å; F182-M216 HydrophobicContact CE2-CG 3.4Å; F182-M216 VanDerWaalsContact CE2-CG 3.4Å; F182-M216 HydrophobicContact CE2-SD 3.58Å; F182-M216 VanDerWaalsContact CE2-SD 3.58Å; F182-M216 HydrophobicContact CZ-CG 3.77Å; F182-M216 HydrophobicContact CZ-SD 3.63Å; A212-M216 VanDerWaalsContact O-CB 3.26Å; A212-M216 WeakPolarHBondContact O-CB 3.16Å; A212-M216 WeakPolarHBondContact O-CG 3.41Å; A212-M216 PolarHBondContact O-N 2.79Å; M216-G218 PolarHBondContact O-N 3.11Å; M216-V219 HydrophobicContact CE-CB 4.34Å; M216-V219 HydrophobicContact CE-CG1 4.13Å; M216-V219 WeakPolarHBondContact O-CB 3.33Å; M216-V219 PolarHBondContact O-N 3.4Å; M216-V219 VanDerWaalsContact O-N 3.12Å; M216-L231 HydrophobicContact CE-CD1 3.58Å; M216-T233 HydrophobicContact CB-CG2 4.09Å
217	N	87.1	Confident	79.3	Confident	81 Å²	81	41.7 Å²	41.7	43%	0.433	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	121.7	179.1	-165	29.4	0	0	0	111.1	K213 V219 R232 T233	K213-N217 WeakPolarHBondContact O-CB 3.37Å; N217-V219 VanDerWaalsContact C-N 3.33Å; N217-R232 WeakPolarHBondContact OD1-CA 3.44Å; N217-T233 WeakPolarHBondContact CB-OG1 3.47Å; N217-T233 PolarHBondContact N-OG1 2.9Å; N217-T233 PolarHBondContact OD1-N 2.84Å
218	G	83.1	Confident	78	Confident	39 Å²	39	45.3 Å²	45.3	40%	0.402	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	-2	-175.5	0	0	0	0	0	114.9	M216 L231	M216-G218 PolarHBondContact O-N 3.11Å; G218-L231 WeakPolarHBondContact CA-O 3.33Å; G218-L231 PolarHBondContact N-O 3.22Å
219	V	82.6	Confident	77.2	Confident	52 Å²	52	45.5 Å²	45.5	32%	0.315	25%	0.254	S	S	.	.			trans	-81.9	136.9	179.6	179.1	0	0	0	0	110.4	Q215 M216 N217 L231	Q215-V219 VanDerWaalsContact O-CG2 3.23Å; Q215-V219 WeakPolarHBondContact O-CG2 3.42Å; M216-V219 HydrophobicContact CE-CB 4.34Å; M216-V219 HydrophobicContact CE-CG1 4.13Å; M216-V219 WeakPolarHBondContact O-CB 3.33Å; M216-V219 PolarHBondContact O-N 3.4Å; M216-V219 VanDerWaalsContact O-N 3.12Å; N217-V219 VanDerWaalsContact C-N 3.33Å; V219-L231 VanDerWaalsContact O-CB 3.3Å; V219-L231 WeakPolarHBondContact O-CB 3.47Å; V219-L231 WeakPolarHBondContact O-CG 3.23Å; V219-L231 PolarHBondContact O-N 3.01Å
220	P	80.2	Confident	76.7	Confident	38 Å²	38	47.5 Å²	47.5	25%	0.247	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-71.2	129.5	172.4	28.8	-33.8	0	0	0	111.3	F222 P223 F228 N229	P220-F222 VanDerWaalsContact C-N 3.26Å; P220-F222 PolarHBondContact O-N 2.91Å; P220-P223 HydrophobicContact CG-CB 4.18Å; P220-F228 HydrophobicContact CB-CB 4.39Å; P220-F228 HydrophobicContact CB-CD1 4.08Å; P220-F228 HydrophobicContact CG-CD1 4.4Å; P220-N229 WeakPolarHBondContact CA-O 3.43Å
221	L	78.8	Confident	76.5	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.01	26%	0.263	C	S	.	.	S	Bend	trans	-59.9	-37.6	175	-175.7	61.5	0	0	0	112.1	I170 P174 F175 P223 N229 L231	I170-L221 HydrophobicContact CD1-CD2 4.24Å; I170-L221 HydrophobicContact CG2-CD2 3.92Å; P174-L221 HydrophobicContact CB-CD1 4.14Å; P174-L221 HydrophobicContact CB-CD2 4.21Å; P174-L221 HydrophobicContact CB-CG 4.3Å; F175-L221 HydrophobicContact CD1-CD1 4.48Å; F175-L221 HydrophobicContact CE1-CD2 4.09Å; F175-L221 HydrophobicContact CZ-CD2 4.26Å; L221-P223 WeakPolarHBondContact O-CD 3.3Å; L221-N229 HydrophobicContact CB-CB 4.21Å; L221-N229 PolarHBondContact N-O 3.42Å; L221-L231 HydrophobicContact CB-CD1 4.11Å; L221-L231 HydrophobicContact CB-CD2 4.03Å; L221-L231 HydrophobicContact CB-CG 4Å; L221-L231 HydrophobicContact CD1-CD1 4.1Å; L221-L231 HydrophobicContact CD1-CD2 4.18Å; L221-L231 HydrophobicContact CD2-CD2 4.43Å; L221-L231 HydrophobicContact CG-CD2 4.44Å
222	F	76.6	Confident	76.4	Confident	8 Å²	8	52 Å²	52	4%	0.035	28%	0.281	C	S	.	.	S	Bend	trans	-119.2	86.1	177.7	-56.6	-71.6	0	0	0	109.5	M168 I170 P174 P220 M224 E225 N229 L270	M168-F222 HydrophobicContact CE-CD2 4.04Å; M168-F222 HydrophobicContact CE-CE1 4.43Å; M168-F222 HydrophobicContact CE-CE2 3.59Å; M168-F222 HydrophobicContact CE-CZ 3.82Å; I170-F222 HydrophobicContact CD1-CE2 3.95Å; I170-F222 HydrophobicContact CG1-CE2 4.21Å; I170-F222 HydrophobicContact CG2-CZ 4.4Å; P174-F222 HydrophobicContact CB-CE1 4.02Å; P174-F222 HydrophobicContact CB-CZ 3.83Å; P174-F222 HydrophobicContact CG-CE1 4.19Å; P174-F222 HydrophobicContact CG-CZ 3.92Å; P220-F222 VanDerWaalsContact C-N 3.26Å; P220-F222 PolarHBondContact O-N 2.91Å; F222-M224 PolarHBondContact O-N 3.44Å; F222-M224 VanDerWaalsContact O-N 3.16Å; F222-E225 HydrophobicContact CB-CB 4.18Å; F222-E225 HydrophobicContact CB-CG 3.96Å; F222-E225 PolarHBondContact O-N 3.46Å; F222-N229 HydrophobicContact CD2-CB 4.1Å; F222-L270 HydrophobicContact CD1-CD2 3.69Å; F222-L270 HydrophobicContact CE1-CD2 3.94Å
223	P	62.9	Low	76.4	Confident	74 Å²	74	52.2 Å²	52.2	48%	0.481	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-9	-174.6	26.9	-35.2	0	0	0	114.7	P220 L221	P220-P223 HydrophobicContact CG-CB 4.18Å; L221-P223 WeakPolarHBondContact O-CD 3.3Å
224	M	59.5	Low	76.4	Confident	148 Å²	148	55.1 Å²	55.1	73%	0.729	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-4.6	-178.7	-59.7	-59.8	173.2	0	0	113.9	F222 P271	F222-M224 PolarHBondContact O-N 3.44Å; F222-M224 VanDerWaalsContact O-N 3.16Å; M224-P271 HydrophobicContact CB-CG 4.49Å; M224-P271 HydrophobicContact CE-CG 4.3Å; M224-P271 HydrophobicContact CG-CG 3.56Å
225	E	58.9	Low	76.5	Confident	73 Å²	73	54.6 Å²	54.6	34%	0.341	29%	0.292	S	S	.	.	S	Bend	trans	-93.6	146.5	179	-68.5	177.3	-174.6	0	0	110.4	F222 N227	F222-E225 HydrophobicContact CB-CB 4.18Å; F222-E225 HydrophobicContact CB-CG 3.96Å; F222-E225 PolarHBondContact O-N 3.46Å; E225-N227 PolarHBondContact O-N 3.15Å; E225-N227 VanDerWaalsContact O-N 3.14Å
226	S	47.3	Very low	76.7	Confident	107 Å²	107	53.6 Å²	53.6	75%	0.748	29%	0.289	S	S	*	.	S	Bend	trans	-62.5	-17.4	173.8	46	0	0	0	0	113.2
227	N	54.7	Low	76.7	Confident	63 Å²	63	65 Å²	65	34%	0.337	33%	0.331	S	S	.	.	S	Bend	trans	-103.1	92.8	179.5	-62.7	-16.7	0	0	0	109.5	H165 E225 N229	H165-N227 HydrophobicContact CB-CB 4.24Å; H165-N227 PolarHBondContact O-ND2 3.19Å; E225-N227 PolarHBondContact O-N 3.15Å; E225-N227 VanDerWaalsContact O-N 3.14Å; N227-N229 PolarHBondContact O-N 3.27Å; N227-N229 PolarHBondContact O-ND2 2.77Å
228	F	62.5	Low	76.5	Confident	116 Å²	116	65.4 Å²	65.4	51%	0.509	33%	0.331	S	S	.	.			trans	-66.8	93.2	178.9	-59	-70.2	0	0	0	111.5	P220 I230	P220-F228 HydrophobicContact CB-CB 4.39Å; P220-F228 HydrophobicContact CB-CD1 4.08Å; P220-F228 HydrophobicContact CG-CD1 4.4Å; F228-I230 HydrophobicContact CB-CG1 4.31Å; F228-I230 PolarHBondContact O-N 3.07Å
229	N	73	Confident	76.3	Confident	7 Å²	7	69.5 Å²	69.5	4%	0.037	34%	0.339	C	S	.	.			trans	-68.7	77.7	168.4	-82	-69.9	0	0	0	109.8	V161 K163 P220 L221 F222 N227 L231	V161-N229 HydrophobicContact CG1-CB 3.63Å; V161-N229 VanDerWaalsContact CG1-OD1 3.3Å; V161-N229 WeakPolarHBondContact CG1-OD1 3.36Å; K163-N229 PolarHBondContact O-OD1 3.12Å; K163-N229 VanDerWaalsContact O-OD1 3.1Å; P220-N229 WeakPolarHBondContact CA-O 3.43Å; L221-N229 HydrophobicContact CB-CB 4.21Å; L221-N229 PolarHBondContact N-O 3.42Å; F222-N229 HydrophobicContact CD2-CB 4.1Å; N227-N229 PolarHBondContact O-N 3.27Å; N227-N229 PolarHBondContact O-ND2 2.77Å; N229-L231 PolarHBondContact O-N 2.88Å
230	I	81	Confident	76.3	Confident	42 Å²	42	70.6 Å²	70.6	22%	0.215	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-66.7	124.7	-177.6	-62.1	173.1	0	0	0	110.1	V161 E162 F228	V161-I230 WeakPolarHBondContact CA-O 3.48Å; E162-I230 PolarHBondContact N-O 3.37Å; F228-I230 HydrophobicContact CB-CG1 4.31Å; F228-I230 PolarHBondContact O-N 3.07Å
231	L	86.5	Confident	76.4	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	133.7	174.3	-63.5	165.1	0	0	0	110.4	I159 H160 V161 F175 F179 M216 G218 V219 L221 N229	I159-L231 HydrophobicContact CG2-CD2 3.56Å; H160-L231 CarbonylContact O-C 3.58Å; V161-L231 HydrophobicContact CG2-CD2 4.16Å; F175-L231 HydrophobicContact CD1-CD2 4.39Å; F175-L231 HydrophobicContact CE1-CD2 4.06Å; F179-L231 HydrophobicContact CE2-CD1 4.1Å; M216-L231 HydrophobicContact CE-CD1 3.58Å; G218-L231 WeakPolarHBondContact CA-O 3.33Å; G218-L231 PolarHBondContact N-O 3.22Å; V219-L231 VanDerWaalsContact O-CB 3.3Å; V219-L231 WeakPolarHBondContact O-CB 3.47Å; V219-L231 WeakPolarHBondContact O-CG 3.23Å; V219-L231 PolarHBondContact O-N 3.01Å; L221-L231 HydrophobicContact CB-CD1 4.11Å; L221-L231 HydrophobicContact CB-CD2 4.03Å; L221-L231 HydrophobicContact CB-CG 4Å; L221-L231 HydrophobicContact CD1-CD1 4.1Å; L221-L231 HydrophobicContact CD1-CD2 4.18Å; L221-L231 HydrophobicContact CD2-CD2 4.43Å; L221-L231 HydrophobicContact CG-CD2 4.44Å; N229-L231 PolarHBondContact O-N 2.88Å
232	R	88.5	Confident	76.4	Confident	101 Å²	101	75.6 Å²	75.6	38%	0.381	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	131.2	163.5	-63.6	-59.3	-171.6	148.5	11.3	108.1	I159 H160 E162 N217	I159-R232 CarbonylContact C-O 3.5Å; I159-R232 VanDerWaalsContact CA-O 3.32Å; I159-R232 WeakPolarHBondContact CA-O 3.32Å; H160-R232 HydrophobicContact CB-CB 4.31Å; H160-R232 PolarHBondContact N-O 3.06Å; H160-R232 PolarHBondContact O-N 3.27Å; E162-R232 IonicContact OE1-NH2 3.63Å; E162-R232 IonicContact OE2-CZ 3.14Å; E162-R232 IonicContact OE2-NE 2.66Å; E162-R232 PolarHBondContact OE2-NE 3.29Å; E162-R232 IonicContact OE2-NH2 2.62Å; E162-R232 PolarHBondContact OE2-NH2 2.77Å; N217-R232 WeakPolarHBondContact OD1-CA 3.44Å
233	T	90.6	Very high	76.4	Confident	3 Å²	3	76.3 Å²	76.3	2%	0.018	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	121.7	-174.2	53.5	0	0	0	0	110.7	H158 I159 F179 K213 M216 N217	H158-T233 WeakPolarHBondContact O-CA 3.49Å; I159-T233 HydrophobicContact CG1-CG2 4.31Å; I159-T233 HydrophobicContact CG2-CG2 4.48Å; F179-T233 HydrophobicContact CE1-CG2 4.01Å; F179-T233 HydrophobicContact CZ-CG2 3.72Å; K213-T233 PolarHBondContact O-OG1 2.69Å; M216-T233 HydrophobicContact CB-CG2 4.09Å; N217-T233 WeakPolarHBondContact CB-OG1 3.47Å; N217-T233 PolarHBondContact N-OG1 2.9Å; N217-T233 PolarHBondContact OD1-N 2.84Å
234	E	90.8	Very high	76.9	Confident	112 Å²	112	80.8 Å²	80.8	52%	0.523	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	163.3	179.3	-64.5	178.9	176.4	0	0	109	L157 H158	L157-E234 CarbonylContact C-O 3.55Å; L157-E234 WeakPolarHBondContact CA-O 3.4Å; H158-E234 IonicContact CE1-OE2 2.81Å; H158-E234 PolarHBondContact CE1-OE2 3.07Å; H158-E234 PolarHBondContact N-O 3.47Å; H158-E234 PolarHBondContact O-N 3.17Å
235	F	91	Very high	77.5	Confident	29 Å²	29	83.7 Å²	83.7	13%	0.127	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	136	167.5	-70.7	-65.3	0	0	0	109.3	F145 K154 L157 A209 H210 K213	F145-F235 AromaticContact CD2-CE2 3.62Å; F145-F235 HydrophobicContact CD2-CE2 3.62Å; F145-F235 AromaticContact CD2-CZ 3.68Å; F145-F235 HydrophobicContact CD2-CZ 3.68Å; F145-F235 HydrophobicContact CE2-CE1 4.09Å; F145-F235 AromaticContact CE2-CE2 3.8Å; F145-F235 HydrophobicContact CE2-CE2 3.8Å; F145-F235 AromaticContact CE2-CZ 3.34Å; F145-F235 HydrophobicContact CE2-CZ 3.34Å; F145-F235 HydrophobicContact CZ-CZ 4.42Å; K154-F235 HydrophobicContact CB-CB 4.49Å; K154-F235 HydrophobicContact CB-CD1 3.74Å; K154-F235 HydrophobicContact CB-CE1 4.13Å; K154-F235 HydrophobicContact CB-CG 4.12Å; K154-F235 HydrophobicContact CD-CB 3.96Å; K154-F235 HydrophobicContact CD-CD1 4.45Å; K154-F235 HydrophobicContact CD-CD2 4.2Å; K154-F235 HydrophobicContact CD-CG 3.97Å; L157-F235 HydrophobicContact CD2-CD1 3.65Å; L157-F235 HydrophobicContact CD2-CE1 3.8Å; A209-F235 HydrophobicContact CB-CE1 4.08Å; H210-F235 HydrophobicContact CB-CZ 3.93Å; H210-F235 AromaticContact CG-CZ 3.98Å; K213-F235 HydrophobicContact CD-CD1 4.37Å; K213-F235 HydrophobicContact CD-CD2 3.65Å; K213-F235 HydrophobicContact CD-CE1 4.22Å; K213-F235 HydrophobicContact CD-CE2 3.48Å; K213-F235 VanDerWaalsContact CD-CE2 3.48Å; K213-F235 HydrophobicContact CD-CG 4.09Å; K213-F235 HydrophobicContact CD-CZ 3.77Å
236	S	89.2	Confident	78.3	Confident	14 Å²	14	83.1 Å²	83.1	10%	0.098	39%	0.385	C	S	.	.			trans	-69.3	160.3	173.3	-169.3	0	0	0	0	110.8	V156 F200 Q238	V156-S236 PolarHBondContact O-N 3.31Å; F200-S236 VanDerWaalsContact CE1-OG 3.26Å; F200-S236 WeakPolarHBondContact CE1-OG 3.4Å; S236-Q238 VanDerWaalsContact C-N 3.28Å; S236-Q238 PolarHBondContact OG-N 2.86Å
237	R	85.1	Confident	79.9	Confident	256 Å²	256	81.7 Å²	81.7	97%	0.966	37%	0.368	S	S	*	.	S	Bend	trans	-82.9	-9.4	166.7	-61	-177.6	-175.2	173.4	0.4	112.3
238	Q	83.3	Confident	81.2	Confident	90 Å²	90	85.2 Å²	85.2	42%	0.421	39%	0.387	S	S	.	.			trans	-85.8	137	174.8	-62.5	175.4	-73.2	0	0	109.7	V156 S236	V156-Q238 WeakPolarHBondContact CB-O 3.25Å; V156-Q238 WeakPolarHBondContact CG2-O 3.49Å; S236-Q238 VanDerWaalsContact C-N 3.28Å; S236-Q238 PolarHBondContact OG-N 2.86Å
239	Q	80.1	Confident	82.1	Confident	124 Å²	124	81.5 Å²	81.5	58%	0.579	38%	0.375	S	S	*	.	S	Bend	trans	-83.1	-30.2	176.4	-70.5	174	-22.3	0	0	112.4	S152 T155 V156	S152-Q239 PolarHBondContact OG-NE2 2.94Å; T155-Q239 PolarHBondContact OG1-O 2.9Å; V156-Q239 WeakPolarHBondContact CG2-O 3.3Å
240	T	81.4	Confident	82.6	Confident	76 Å²	76	82.1 Å²	82.1	47%	0.466	38%	0.38	S	S	.	.	S	Bend	trans	-142.5	163	179.4	54.1	0	0	0	0	109.6
241	L	82.9	Confident	82.8	Confident	2 Å²	2	81.4 Å²	81.4	1%	0.01	38%	0.375	C	S	.	.			trans	-110	139.5	171.6	-58.9	178	0	0	0	110.5	V156 R187 I189 F200 E202	V156-L241 HydrophobicContact CG1-CD1 4.23Å; V156-L241 HydrophobicContact CG1-CD2 3.86Å; V156-L241 HydrophobicContact CG1-CG 4.05Å; V156-L241 HydrophobicContact CG2-CG 4.35Å; R187-L241 HydrophobicContact CB-CB 4.16Å; R187-L241 HydrophobicContact CB-CD1 4.21Å; R187-L241 WeakPolarHBondContact CD-O 3.28Å; R187-L241 VanDerWaalsContact CZ-O 3.28Å; R187-L241 PolarHBondContact NE-O 3.31Å; R187-L241 PolarHBondContact NH1-O 2.92Å; R187-L241 VanDerWaalsContact NH1-O 3.16Å; I189-L241 HydrophobicContact CD1-CB 4.04Å; I189-L241 HydrophobicContact CD1-CD1 4.38Å; I189-L241 HydrophobicContact CD1-CD2 4.35Å; I189-L241 HydrophobicContact CD1-CG 4.49Å; I189-L241 HydrophobicContact CG1-CD1 4.36Å; F200-L241 HydrophobicContact CB-CD1 3.67Å; F200-L241 HydrophobicContact CB-CD2 3.66Å; F200-L241 HydrophobicContact CB-CG 4.33Å; F200-L241 HydrophobicContact CG-CD2 4.15Å; E202-L241 HydrophobicContact CB-CD1 3.9Å; E202-L241 HydrophobicContact CB-CG 4.12Å; E202-L241 WeakPolarHBondContact OE2-CB 3.22Å; E202-L241 PolarHBondContact OE2-N 3.37Å
242	E	78.8	Confident	82.8	Confident	143 Å²	143	82 Å²	82	67%	0.668	38%	0.378	S	S	*	.			trans	-114.6	104.2	178	-67.9	-176.9	169.1	0	0	110.4	H244	E242-H244 PolarHBondContact O-ND1 2.87Å; E242-H244 IonicContact OE2-CE1 2.73Å
243	I	77.1	Confident	82.6	Confident	22 Å²	22	77.8 Å²	77.8	11%	0.113	36%	0.362	C	S	.	.			trans	-95.7	108.2	179.5	-63.9	178.5	0	0	0	108.7	R187 I189 R245 E246 C250 R251 D252	R187-I243 HydrophobicContact CB-CD1 3.81Å; R187-I243 HydrophobicContact CG-CD1 4.15Å; I189-I243 HydrophobicContact CD1-CD1 4.4Å; I189-I243 HydrophobicContact CD1-CG1 3.81Å; I189-I243 HydrophobicContact CG1-CD1 3.87Å; I189-I243 HydrophobicContact CG1-CG1 3.8Å; I243-R245 WeakPolarHBondContact CG2-O 3.46Å; I243-E246 HydrophobicContact CG2-CG 4.27Å; I243-C250 HydrophobicContact CD1-CB 4.21Å; I243-C250 HydrophobicContact CG1-CB 4.49Å; I243-R251 WeakPolarHBondContact CD1-O 3.34Å; I243-D252 HydrophobicContact CB-CB 4.24Å; I243-D252 HydrophobicContact CD1-CB 4.14Å; I243-D252 HydrophobicContact CG2-CB 4.43Å
244	H	71.9	Confident	82.2	Confident	168 Å²	168	82.1 Å²	82.1	78%	0.778	38%	0.384	S	S	*	.	S	Bend	trans	-86.6	-19.3	-177.9	-70.1	71.8	0	0	0	113.2	E242	E242-H244 PolarHBondContact O-ND1 2.87Å; E242-H244 IonicContact OE2-CE1 2.73Å
245	R	71.9	Confident	81.5	Confident	209 Å²	209	83.2 Å²	83.2	79%	0.789	39%	0.39	S	S	*	.	S	Bend	trans	-158.6	133.9	-178.8	-178.8	-178.9	-175.7	-179.2	2.7	107.7	I243 C250	I243-R245 WeakPolarHBondContact CG2-O 3.46Å; R245-C250 PolarHBondContact O-SG 3.4Å
246	E	77.1	Confident	80.8	Confident	62 Å²	62	85.5 Å²	85.5	29%	0.29	40%	0.403	S	S	.	.			trans	-86.7	144.1	172.7	-57.5	-165.7	135.7	0	0	111.7	I243 C250 R251 D252 N256	I243-E246 HydrophobicContact CG2-CG 4.27Å; E246-C250 WeakPolarHBondContact CA-O 3.45Å; E246-R251 WeakPolarHBondContact OE1-CG 3.49Å; E246-D252 PolarHBondContact OE1-N 3.26Å; E246-N256 PolarHBondContact OE2-ND2 2.98Å
247	D	81.2	Confident	80.3	Confident	76 Å²	76	88.4 Å²	88.4	41%	0.406	42%	0.421	S	S	.	.			trans	-154.7	-167.4	175.4	78.2	-19.2	0	0	0	110.9	Y172 S249 C250	Y172-D247 WeakPolarHBondContact CD1-O 3.35Å; Y172-D247 WeakPolarHBondContact CE1-O 3.26Å; D247-S249 PolarHBondContact O-N 3.02Å; D247-S249 WeakPolarHBondContact OD1-CA 2.96Å; D247-S249 WeakPolarHBondContact OD1-CB 3.26Å; D247-S249 PolarHBondContact OD1-N 2.98Å; D247-S249 PolarHBondContact OD1-OG 3.2Å; D247-S249 PolarHBondContact OD2-OG 3.19Å; D247-C250 PolarHBondContact N-O 3.31Å; D247-C250 VanDerWaalsContact O-O 3.05Å; D247-C250 PolarHBondContact OD1-N 3.39Å; D247-C250 PolarHBondContact OD1-SG 3.14Å
248	N	80.4	Confident	79.6	Confident	138 Å²	138	77.9 Å²	77.9	74%	0.738	38%	0.382	S	S	*	.	S	Bend	trans	-67.4	-12.2	174.6	-77.9	-21.3	0	0	0	113.5	G171 Y172	G171-N248 CarbonylContact C-O 3.59Å; G171-N248 WeakPolarHBondContact CA-O 3.15Å; Y172-N248 WeakPolarHBondContact CD1-O 3.48Å; Y172-N248 PolarHBondContact N-O 3.49Å
249	S	81.4	Confident	78.8	Confident	37 Å²	37	78.2 Å²	78.2	26%	0.259	39%	0.387	S	S	.	.	S	Bend	trans	-98.4	-33.6	-178.4	-34.2	0	0	0	0	111.5	Y172 I189 S190 D247	Y172-S249 WeakPolarHBondContact CB-O 3.29Å; I189-S249 CarbonylContact C-O 3.6Å; S190-S249 PolarHBondContact N-O 3.16Å; S190-S249 WeakPolarHBondContact O-CB 3.49Å; S190-S249 PolarHBondContact OG-O 3.08Å; D247-S249 PolarHBondContact O-N 3.02Å; D247-S249 WeakPolarHBondContact OD1-CA 2.96Å; D247-S249 WeakPolarHBondContact OD1-CB 3.26Å; D247-S249 PolarHBondContact OD1-N 2.98Å; D247-S249 PolarHBondContact OD1-OG 3.2Å; D247-S249 PolarHBondContact OD2-OG 3.19Å
250	C	85.5	Confident	77.7	Confident	20 Å²	20	80 Å²	80	14%	0.135	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	144.6	-179.1	59.7	0	0	0	0	115	V188 I189 I243 R245 E246 D247	V188-C250 CarbonylContact O-C 3.58Å; V188-C250 WeakPolarHBondContact O-CA 3.47Å; V188-C250 WeakPolarHBondContact O-CB 3.2Å; I189-C250 HydrophobicContact CB-CB 4.11Å; I189-C250 HydrophobicContact CG1-CB 3.88Å; I189-C250 HydrophobicContact CG2-CB 4.09Å; I243-C250 HydrophobicContact CD1-CB 4.21Å; I243-C250 HydrophobicContact CG1-CB 4.49Å; R245-C250 PolarHBondContact O-SG 3.4Å; E246-C250 WeakPolarHBondContact CA-O 3.45Å; D247-C250 PolarHBondContact N-O 3.31Å; D247-C250 VanDerWaalsContact O-O 3.05Å; D247-C250 PolarHBondContact OD1-N 3.39Å; D247-C250 PolarHBondContact OD1-SG 3.14Å
251	R	84.6	Confident	76.2	Confident	28 Å²	28	79.6 Å²	79.6	11%	0.106	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	137.3	179.5	-175	166	173.9	178.8	-2.2	110.8	Y172 V188 I243 E246 F253 D262	Y172-R251 HydrophobicContact CD1-CB 4.14Å; Y172-R251 HydrophobicContact CD2-CB 4.16Å; Y172-R251 HydrophobicContact CE1-CB 4Å; Y172-R251 HydrophobicContact CE2-CB 4.02Å; Y172-R251 HydrophobicContact CE2-CG 4.49Å; Y172-R251 HydrophobicContact CG-CB 4.25Å; Y172-R251 VanDerWaalsContact CZ-CD 3.48Å; Y172-R251 VanDerWaalsContact OH-CD 3.23Å; Y172-R251 WeakPolarHBondContact OH-CD 3.21Å; Y172-R251 PolarHBondContact OH-NH1 3.2Å; Y172-R251 VanDerWaalsContact OH-NH1 3.08Å; V188-R251 PolarHBondContact N-O 3.36Å; V188-R251 VanDerWaalsContact N-O 3.07Å; V188-R251 PolarHBondContact O-N 3.34Å; I243-R251 WeakPolarHBondContact CD1-O 3.34Å; E246-R251 WeakPolarHBondContact OE1-CG 3.49Å; R251-F253 HydrophobicContact CB-CE1 4.34Å; R251-F253 HydrophobicContact CB-CE2 4.27Å; R251-F253 HydrophobicContact CB-CZ 3.95Å; R251-F253 VanDerWaalsContact CD-CE1 3.49Å; R251-F253 HydrophobicContact CG-CD1 4.17Å; R251-F253 HydrophobicContact CG-CE1 3.76Å; R251-F253 HydrophobicContact CG-CE2 4.41Å; R251-F253 HydrophobicContact CG-CZ 3.9Å; R251-D262 IonicContact CZ-OD2 3.91Å; R251-D262 IonicContact NH1-OD2 3.2Å; R251-D262 PolarHBondContact NH1-OD2 3.32Å; R251-D262 IonicContact NH2-OD2 2.71Å; R251-D262 PolarHBondContact NH2-OD2 3.38Å
252	D	86	Confident	74.8	Confident	12 Å²	12	81 Å²	81	6%	0.064	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	106.9	175.1	-171	-39.7	0	0	0	108.9	R187 I243 E246 I254 Q255 N256	R187-D252 WeakPolarHBondContact CD-OD2 3.45Å; R187-D252 HydrophobicContact CG-CB 4.36Å; R187-D252 IonicContact CZ-OD2 2.77Å; R187-D252 IonicContact NE-OD1 3.75Å; R187-D252 IonicContact NE-OD2 3.75Å; R187-D252 PolarHBondContact NE-OD2 3.28Å; R187-D252 IonicContact NH2-OD2 3.49Å; I243-D252 HydrophobicContact CB-CB 4.24Å; I243-D252 HydrophobicContact CD1-CB 4.14Å; I243-D252 HydrophobicContact CG2-CB 4.43Å; E246-D252 PolarHBondContact OE1-N 3.26Å; D252-I254 VanDerWaalsContact C-N 3.26Å; D252-I254 PolarHBondContact O-N 3.2Å; D252-I254 WeakPolarHBondContact OD1-CA 3.48Å; D252-I254 WeakPolarHBondContact OD1-CB 3.15Å; D252-I254 PolarHBondContact OD1-N 3.1Å; D252-Q255 HydrophobicContact CB-CB 4.17Å; D252-Q255 PolarHBondContact O-N 3.12Å; D252-Q255 PolarHBondContact OD1-N 3.36Å; D252-N256 PolarHBondContact O-N 3.24Å
253	F	84.7	Confident	73.4	Confident	13 Å²	13	76.9 Å²	76.9	6%	0.057	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-3.2	-178.9	-56.9	-77.6	0	0	0	113.3	Y172 F176 I185 L186 V188 R251 P257 W258	Y172-F253 HydrophobicContact CD2-CZ 4.03Å; Y172-F253 HydrophobicContact CE2-CE1 4.47Å; Y172-F253 AromaticContact CE2-CZ 3.96Å; Y172-F253 HydrophobicContact CE2-CZ 3.96Å; F176-F253 HydrophobicContact CB-CZ 4.27Å; F176-F253 HydrophobicContact CD1-CZ 4.44Å; F176-F253 HydrophobicContact CD2-CD1 4.49Å; F176-F253 HydrophobicContact CD2-CD2 4.13Å; F176-F253 AromaticContact CD2-CE1 3.88Å; F176-F253 HydrophobicContact CD2-CE1 3.88Å; F176-F253 AromaticContact CD2-CE2 3.47Å; F176-F253 HydrophobicContact CD2-CE2 3.47Å; F176-F253 VanDerWaalsContact CD2-CE2 3.47Å; F176-F253 AromaticContact CD2-CZ 3.31Å; F176-F253 HydrophobicContact CD2-CZ 3.31Å; F176-F253 AromaticContact CE2-CD1 3.98Å; F176-F253 HydrophobicContact CE2-CD1 3.98Å; F176-F253 HydrophobicContact CE2-CD2 4.08Å; F176-F253 AromaticContact CE2-CE1 3.71Å; F176-F253 HydrophobicContact CE2-CE1 3.71Å; F176-F253 AromaticContact CE2-CE2 3.84Å; F176-F253 HydrophobicContact CE2-CE2 3.84Å; F176-F253 HydrophobicContact CE2-CG 4.15Å; F176-F253 AromaticContact CE2-CZ 3.64Å; F176-F253 HydrophobicContact CE2-CZ 3.64Å; F176-F253 HydrophobicContact CG-CE1 4.34Å; F176-F253 HydrophobicContact CG-CE2 4.27Å; F176-F253 AromaticContact CG-CZ 3.76Å; F176-F253 HydrophobicContact CG-CZ 3.76Å; F176-F253 HydrophobicContact CZ-CD1 4.37Å; F176-F253 HydrophobicContact CZ-CE1 4.05Å; F176-F253 HydrophobicContact CZ-CZ 4.33Å; I185-F253 HydrophobicContact CG2-CD2 4.15Å; I185-F253 HydrophobicContact CG2-CE2 4.37Å; L186-F253 WeakPolarHBondContact O-CA 3.43Å; L186-F253 WeakPolarHBondContact O-CB 3.49Å; L186-F253 PolarHBondContact O-N 3.33Å; V188-F253 HydrophobicContact CB-CE2 4.22Å; V188-F253 HydrophobicContact CG2-CE2 3.83Å; R251-F253 HydrophobicContact CB-CE1 4.34Å; R251-F253 HydrophobicContact CB-CE2 4.27Å; R251-F253 HydrophobicContact CB-CZ 3.95Å; R251-F253 VanDerWaalsContact CD-CE1 3.49Å; R251-F253 HydrophobicContact CG-CD1 4.17Å; R251-F253 HydrophobicContact CG-CE1 3.76Å; R251-F253 HydrophobicContact CG-CE2 4.41Å; R251-F253 HydrophobicContact CG-CZ 3.9Å; F253-P257 WeakPolarHBondContact O-CA 3.26Å; F253-W258 HydrophobicContact CD1-CB 4.2Å; F253-W258 AromaticContact CE1-CE3 3.94Å; F253-W258 HydrophobicContact CE1-CE3 3.94Å
254	I	81	Confident	71.7	Confident	93 Å²	93	79.7 Å²	79.7	48%	0.477	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-46.7	164.6	-49.8	-179.9	0	0	0	109	L186 D252	L186-I254 HydrophobicContact CB-CD1 4.07Å; L186-I254 HydrophobicContact CB-CG1 4.05Å; L186-I254 HydrophobicContact CD1-CD1 4.24Å; L186-I254 HydrophobicContact CD2-CD1 4.06Å; L186-I254 HydrophobicContact CD2-CG1 3.91Å; L186-I254 HydrophobicContact CG-CD1 4.34Å; L186-I254 HydrophobicContact CG-CG1 4.47Å; D252-I254 VanDerWaalsContact C-N 3.26Å; D252-I254 PolarHBondContact O-N 3.2Å; D252-I254 WeakPolarHBondContact OD1-CA 3.48Å; D252-I254 WeakPolarHBondContact OD1-CB 3.15Å; D252-I254 PolarHBondContact OD1-N 3.1Å
255	Q	77	Confident	70.2	Confident	136 Å²	136	77.6 Å²	77.6	64%	0.636	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-44.8	179.9	-171.6	170.6	19.4	0	0	112.1	D252 P257	D252-Q255 HydrophobicContact CB-CB 4.17Å; D252-Q255 PolarHBondContact O-N 3.12Å; D252-Q255 PolarHBondContact OD1-N 3.36Å; Q255-P257 WeakPolarHBondContact O-CD 3.42Å
256	N	77.3	Confident	69	Low	77 Å²	77	71 Å²	71	41%	0.412	38%	0.378	S	S	.	.	S	Bend	trans	-125	78.8	179.6	-77.3	-32.9	0	0	0	111.1	E246 D252	E246-N256 PolarHBondContact OE2-ND2 2.98Å; D252-N256 PolarHBondContact O-N 3.24Å
257	P	77.5	Confident	67.1	Low	74 Å²	74	71.7 Å²	71.7	48%	0.481	38%	0.383	S	S	.	.			trans	-49.2	145.3	178.6	-29.1	35.7	0	0	0	113.8	F253 Q255 N259	F253-P257 WeakPolarHBondContact O-CA 3.26Å; Q255-P257 WeakPolarHBondContact O-CD 3.42Å; P257-N259 PolarHBondContact O-N 3.46Å
258	W	70.9	Confident	65.1	Low	35 Å²	35	72.4 Å²	72.4	13%	0.133	38%	0.384	C	S	.	.			trans	-72	111.5	177.7	-177.4	-89.5	0	0	0	111.1	L173 F176 M177 F253 D262 E263	L173-W258 HydrophobicContact CD1-CH2 3.63Å; L173-W258 HydrophobicContact CD1-CZ3 3.93Å; F176-W258 HydrophobicContact CD1-CD2 4.34Å; F176-W258 HydrophobicContact CD1-CE3 4.14Å; F176-W258 HydrophobicContact CD1-CZ3 4.24Å; F176-W258 HydrophobicContact CE1-CB 4.34Å; F176-W258 AromaticContact CE1-CD2 3.38Å; F176-W258 HydrophobicContact CE1-CD2 3.38Å; F176-W258 AromaticContact CE1-CE2 3.78Å; F176-W258 AromaticContact CE1-CE3 3.56Å; F176-W258 HydrophobicContact CE1-CE3 3.56Å; F176-W258 AromaticContact CE1-CG 3.74Å; F176-W258 HydrophobicContact CE1-CG 3.74Å; F176-W258 HydrophobicContact CE1-CH2 4.39Å; F176-W258 HydrophobicContact CE1-CZ2 4.27Å; F176-W258 HydrophobicContact CE1-CZ3 4.06Å; F176-W258 HydrophobicContact CZ-CB 3.78Å; F176-W258 AromaticContact CZ-CD2 3.77Å; F176-W258 HydrophobicContact CZ-CD2 3.77Å; F176-W258 HydrophobicContact CZ-CE3 4.02Å; F176-W258 AromaticContact CZ-CG 3.65Å; F176-W258 HydrophobicContact CZ-CG 3.65Å; M177-W258 HydrophobicContact CE-CH2 3.56Å; M177-W258 HydrophobicContact CE-CZ2 3.34Å; F253-W258 HydrophobicContact CD1-CB 4.2Å; F253-W258 AromaticContact CE1-CE3 3.94Å; F253-W258 HydrophobicContact CE1-CE3 3.94Å; W258-D262 HydrophobicContact CD2-CB 4.17Å; W258-D262 HydrophobicContact CE3-CB 4.18Å; W258-D262 HydrophobicContact CH2-CB 3.52Å; W258-D262 HydrophobicContact CZ2-CB 3.45Å; W258-D262 VanDerWaalsContact CZ2-CB 3.45Å; W258-D262 HydrophobicContact CZ3-CB 3.9Å; W258-E263 HydrophobicContact CZ2-CB 4.46Å; W258-E263 HydrophobicContact CZ2-CG 3.86Å
259	N	65.6	Low	63.1	Low	98 Å²	98	70.4 Å²	70.4	52%	0.524	37%	0.372	S	S	.	.			trans	-82.3	137.8	171.1	-67.7	-38.2	0	0	0	110.1	P257 S261 D262	P257-N259 PolarHBondContact O-N 3.46Å; N259-S261 VanDerWaalsContact CB-OG 3.27Å; N259-S261 WeakPolarHBondContact CB-OG 3.45Å; N259-S261 PolarHBondContact O-N 3.42Å; N259-D262 VanDerWaalsContact O-CB 3.32Å; N259-D262 WeakPolarHBondContact O-CB 3.3Å; N259-D262 PolarHBondContact O-N 2.76Å
260	E	57.7	Low	60.9	Low	160 Å²	160	70.5 Å²	70.5	75%	0.748	37%	0.37	S	S	*	.	H	α-helix	trans	-61.1	-18.3	177	-64.6	-174	157.9	0	0	113.2	D262 E263	E260-D262 VanDerWaalsContact C-N 3.26Å; E260-D262 PolarHBondContact O-N 3.5Å; E260-E263 WeakPolarHBondContact O-CB 3.45Å; E260-E263 PolarHBondContact O-N 3.2Å
261	S	49.1	Very low	58.2	Low	68 Å²	68	73.2 Å²	73.2	48%	0.476	39%	0.387	S	S	.	.	H	α-helix	trans	-57.9	-35.9	167.8	49.6	0	0	0	0	113.2	N259 E263 S264	N259-S261 VanDerWaalsContact CB-OG 3.27Å; N259-S261 WeakPolarHBondContact CB-OG 3.45Å; N259-S261 PolarHBondContact O-N 3.42Å; S261-E263 VanDerWaalsContact C-N 3.29Å; S261-E263 PolarHBondContact O-N 2.86Å; S261-S264 PolarHBondContact O-N 2.93Å; S261-S264 VanDerWaalsContact O-N 3.1Å; S261-S264 PolarHBondContact O-OG 3.35Å
262	D	53.9	Low	55.6	Low	33 Å²	33	76.6 Å²	76.6	18%	0.176	42%	0.415	C	S	.	.	H	α-helix	trans	-66.8	-32.1	-177.5	-64.1	8.6	0	0	0	110.7	R251 W258 N259 E260 S264 N265 H266	R251-D262 IonicContact CZ-OD2 3.91Å; R251-D262 IonicContact NH1-OD2 3.2Å; R251-D262 PolarHBondContact NH1-OD2 3.32Å; R251-D262 IonicContact NH2-OD2 2.71Å; R251-D262 PolarHBondContact NH2-OD2 3.38Å; W258-D262 HydrophobicContact CD2-CB 4.17Å; W258-D262 HydrophobicContact CE3-CB 4.18Å; W258-D262 HydrophobicContact CH2-CB 3.52Å; W258-D262 HydrophobicContact CZ2-CB 3.45Å; W258-D262 VanDerWaalsContact CZ2-CB 3.45Å; W258-D262 HydrophobicContact CZ3-CB 3.9Å; N259-D262 VanDerWaalsContact O-CB 3.32Å; N259-D262 WeakPolarHBondContact O-CB 3.3Å; N259-D262 PolarHBondContact O-N 2.76Å; E260-D262 VanDerWaalsContact C-N 3.26Å; E260-D262 PolarHBondContact O-N 3.5Å; D262-S264 VanDerWaalsContact C-N 3.32Å; D262-S264 PolarHBondContact O-N 2.77Å; D262-N265 PolarHBondContact O-N 2.97Å; D262-H266 WeakPolarHBondContact O-CB 3.47Å; D262-H266 PolarHBondContact O-CD2 2.72Å; D262-H266 VanDerWaalsContact O-CD2 3.22Å; D262-H266 PolarHBondContact O-N 2.73Å; D262-H266 VanDerWaalsContact O-N 3.11Å
263	E	48.7	Very low	53	Low	56 Å²	56	81.9 Å²	81.9	26%	0.262	45%	0.448	S	S	.	.	H	α-helix	trans	-60.1	-42.1	172.2	-89.8	177.6	-155.6	0	0	111.3	M177 K180 W258 E260 S261 N265 H266 N267	M177-E263 HydrophobicContact CE-CG 3.98Å; K180-E263 IonicContact NZ-OE1 2.65Å; K180-E263 PolarHBondContact NZ-OE1 2.89Å; W258-E263 HydrophobicContact CZ2-CB 4.46Å; W258-E263 HydrophobicContact CZ2-CG 3.86Å; E260-E263 WeakPolarHBondContact O-CB 3.45Å; E260-E263 PolarHBondContact O-N 3.2Å; S261-E263 VanDerWaalsContact C-N 3.29Å; S261-E263 PolarHBondContact O-N 2.86Å; E263-N265 PolarHBondContact O-N 3.11Å; E263-H266 PolarHBondContact O-N 2.87Å; E263-H266 VanDerWaalsContact O-N 3.07Å; E263-N267 WeakPolarHBondContact O-CB 2.99Å; E263-N267 PolarHBondContact O-N 3.4Å; E263-N267 PolarHBondContact O-ND2 3.31Å; E263-N267 PolarHBondContact O-OD1 2.65Å
264	S	42.4	Very low	50.5	Low	81 Å²	81	86.8 Å²	86.8	57%	0.566	48%	0.478	S	S	*	.	H	α-helix	trans	-65	-25.4	-177.2	75.7	0	0	0	0	113.8	S261 D262	S261-S264 PolarHBondContact O-N 2.93Å; S261-S264 VanDerWaalsContact O-N 3.1Å; S261-S264 PolarHBondContact O-OG 3.35Å; D262-S264 VanDerWaalsContact C-N 3.32Å; D262-S264 PolarHBondContact O-N 2.77Å
265	N	41.1	Very low	48.2	Very low	124 Å²	124	90 Å²	90	66%	0.663	50%	0.496	S	S	*	.	H	α-helix	trans	-85.8	-27.7	173.8	-72.4	-18.9	0	0	0	112.7	D262 E263	D262-N265 PolarHBondContact O-N 2.97Å; E263-N265 PolarHBondContact O-N 3.11Å
266	H	46.5	Very low	45.8	Very low	71 Å²	71	86.3 Å²	86.3	33%	0.329	50%	0.495	S	S	.	.	H	α-helix	trans	-105	-11.4	-173.1	-71.6	-54.2	0	0	0	116.1	L173 M177 D262 E263 H268 I269	L173-H266 HydrophobicContact CD1-CB 4.46Å; L173-H266 HydrophobicContact CD2-CB 3.88Å; L173-H266 WeakPolarHBondContact CD2-ND1 3.42Å; M177-H266 HydrophobicContact CE-CB 4.32Å; D262-H266 WeakPolarHBondContact O-CB 3.47Å; D262-H266 PolarHBondContact O-CD2 2.72Å; D262-H266 VanDerWaalsContact O-CD2 3.22Å; D262-H266 PolarHBondContact O-N 2.73Å; D262-H266 VanDerWaalsContact O-N 3.11Å; E263-H266 PolarHBondContact O-N 2.87Å; E263-H266 VanDerWaalsContact O-N 3.07Å; H266-H268 PolarHBondContact O-N 3.02Å; H266-I269 PolarHBondContact O-N 3.18Å
267	N	37	Very low	43.5	Very low	76 Å²	76	88.9 Å²	88.9	41%	0.406	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	25.2	175.6	-82.9	-18.2	0	0	0	115.1	E263	E263-N267 WeakPolarHBondContact O-CB 2.99Å; E263-N267 PolarHBondContact O-N 3.4Å; E263-N267 PolarHBondContact O-ND2 3.31Å; E263-N267 PolarHBondContact O-OD1 2.65Å
268	H	38.6	Very low	41.4	Very low	90 Å²	90	94.5 Å²	94.5	42%	0.417	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-15.5	-173.1	-101.4	-39.8	0	0	0	112.1	H266 R313	H266-H268 PolarHBondContact O-N 3.02Å; H268-R313 PolarHBondContact O-NH2 3.32Å
269	I	39.7	Very low	39.3	Very low	96 Å²	96	99.3 Å²	99.3	49%	0.492	56%	0.559	S	S	.	*	S	Bend	trans	-102.5	-16.7	179.2	-61.4	176.5	0	0	0	112.1	H266	H266-I269 PolarHBondContact O-N 3.18Å
270	L	34.7	Very low	37.5	Very low	39 Å²	39	103.2 Å²	103.2	20%	0.204	57%	0.572	C	S	.	*	S	Bend	trans	-130.2	137.4	172.5	-72.7	167.4	0	0	0	110	M177 F222 S272	M177-L270 HydrophobicContact CB-CD1 3.76Å; M177-L270 HydrophobicContact CG-CD1 4.34Å; F222-L270 HydrophobicContact CD1-CD2 3.69Å; F222-L270 HydrophobicContact CE1-CD2 3.94Å; L270-S272 PolarHBondContact O-N 2.84Å
271	P	28.7	Very low	35.9	Very low	78 Å²	78	104 Å²	104	51%	0.506	58%	0.575	S	S	.	*			trans	-75.1	121.1	175.1	17.5	-10.7	0	0	0	110.2	M224	M224-P271 HydrophobicContact CB-CG 4.49Å; M224-P271 HydrophobicContact CE-CG 4.3Å; M224-P271 HydrophobicContact CG-CG 3.56Å
272	S	29.9	Very low	34.9	Very low	98 Å²	98	104.1 Å²	104.1	69%	0.685	58%	0.58	S	S	*	*			trans	-67.1	138.4	-173.3	55.1	0	0	0	0	113.7	L270	L270-S272 PolarHBondContact O-N 2.84Å
273	V	31.7	Very low	33.7	Very low	124 Å²	124	112.3 Å²	112.3	75%	0.752	61%	0.614	S	S	*	*			trans	-114	118.4	166.4	174.5	0	0	0	0	106.6
274	V	32.3	Very low	32.6	Very low	115 Å²	115	117.1 Å²	117.1	70%	0.697	64%	0.641	S	S	*	*			trans	55	126.3	-178.2	-107	0	0	0	0	115.7
275	N	31.3	Very low	32.1	Very low	160 Å²	160	119 Å²	119	86%	0.856	65%	0.651	S	S	*	*				-167.7	169	60.7	-110.3	-33.9	0	0	0	112.7
276	G	28.3	Very low	31.7	Very low	60 Å²	60	118.4 Å²	118.4	62%	0.619	66%	0.657	S	S	*	*			trans	-97.1	144.4	-179.7	0	0	0	0	0	115.2
277	T	28	Very low	31.2	Very low	131 Å²	131	119.5 Å²	119.5	80%	0.804	67%	0.668	S	S	*	*			trans	50.9	108.5	147	50.1	0	0	0	0	120.4
278	K	32.7	Very low	31.1	Very low	192 Å²	192	124.3 Å²	124.3	84%	0.835	69%	0.685	S	S	*	*				179.8	120.2	105.9	-91.8	152.7	-170	176.1	0	114.6
279	N	28	Very low	31	Very low	135 Å²	135	123 Å²	123	72%	0.722	70%	0.696	S	S	*	*			trans	62.9	120.8	133.2	-71.8	5.3	0	0	0	125.4
280	F	26.5	Very low	31.3	Very low	181 Å²	181	125.3 Å²	125.3	79%	0.794	71%	0.705	S	S	*	*			trans	84.4	99.9	132.4	-81.6	-112	0	0	0	123.4
281	H	25.5	Very low	31.8	Very low	177 Å²	177	129 Å²	129	82%	0.819	72%	0.724	S	S	*	*				77.3	127.4	114	-133.3	-91.3	0	0	0	123.4
282	A	27.7	Very low	32.7	Very low	69 Å²	69	131.8 Å²	131.8	57%	0.57	74%	0.735	S	S	*	*			trans	93	148.5	152.1	0	0	0	0	0	122
283	F	28.7	Very low	34	Very low	206 Å²	206	129.7 Å²	129.7	90%	0.904	72%	0.724	S	S	*	*			trans	88.2	125.9	170.2	-58.5	-76	0	0	0	119.7
284	L	25.4	Very low	35.4	Very low	156 Å²	156	128.7 Å²	128.7	82%	0.817	71%	0.71	S	S	*	*			trans	-138.6	133.3	-176.9	-91.5	167.3	0	0	0	109.2
285	P	31.2	Very low	37.1	Very low	120 Å²	120	125.9 Å²	125.9	78%	0.779	70%	0.695	S	S	*	*			trans	-123.4	119.1	160.4	18.1	2.7	0	0	0	113.7
286	S	32.9	Very low	38.9	Very low	112 Å²	112	126.5 Å²	126.5	78%	0.783	69%	0.693	S	S	*	*			trans	40.1	84.7	152.5	-165.8	0	0	0	0	120.6	K288	S286-K288 PolarHBondContact O-N 2.65Å
287	V	37	Very low	40.9	Very low	95 Å²	95	131 Å²	131	58%	0.576	70%	0.698	S	S	*	*			trans	-76.5	87.1	170.3	-173.5	0	0	0	0	111.1	L291	V287-L291 HydrophobicContact CG1-CD1 3.81Å
288	K	33.8	Very low	42.8	Very low	176 Å²	176	130.5 Å²	130.5	77%	0.765	68%	0.684	S	S	*	*			trans	-126.5	-18.3	176.3	-142.1	-176.7	-177	-172.7	0	116.1	S286	S286-K288 PolarHBondContact O-N 2.65Å
289	G	37.2	Very low	44.7	Very low	62 Å²	62	123.9 Å²	123.9	64%	0.639	66%	0.658	S	S	*	*	S	Bend	trans	-96.4	-20.2	179.4	0	0	0	0	0	115.4
290	E	45.7	Very low	47	Very low	145 Å²	145	121.7 Å²	121.7	68%	0.678	65%	0.653	S	S	*	*	S	Bend	trans	-85.4	-19.7	-171.6	-64.4	-178	148.8	0	0	114.1
291	L	45.2	Very low	49.3	Very low	117 Å²	117	118.4 Å²	118.4	61%	0.613	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-72.8	-29.6	178.1	-89.9	85.1	0	0	0	112.9	V287 A293 F294	V287-L291 HydrophobicContact CG1-CD1 3.81Å; L291-A293 PolarHBondContact O-N 3.18Å; L291-A293 VanDerWaalsContact O-N 3.11Å; L291-F294 PolarHBondContact O-N 3.11Å
292	D	47.6	Very low	51.5	Low	136 Å²	136	113.5 Å²	113.5	73%	0.727	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-64.1	-18.5	-178.6	-67.2	-17.9	0	0	0	112.7	F294	D292-F294 PolarHBondContact O-N 3.04Å
293	A	57.3	Low	53.8	Low	55 Å²	55	114.6 Å²	114.6	46%	0.455	62%	0.623	S	S	.	*	G	3₁₀ helix	trans	-70.3	-14.9	173.3	0	0	0	0	0	113.9	L291 K298	L291-A293 PolarHBondContact O-N 3.18Å; L291-A293 VanDerWaalsContact O-N 3.11Å; A293-K298 WeakPolarHBondContact O-CD 3.48Å
294	F	61.2	Low	56	Low	103 Å²	103	109.2 Å²	109.2	45%	0.452	61%	0.608	S	S	.	*	S	Bend	trans	-115.6	59.9	-179.5	-68.7	-78.3	0	0	0	111.5	L291 D292 L299 L310	L291-F294 PolarHBondContact O-N 3.11Å; D292-F294 PolarHBondContact O-N 3.04Å; F294-L299 HydrophobicContact CB-CD1 4.22Å; F294-L299 HydrophobicContact CB-CD2 4.48Å; F294-L299 HydrophobicContact CB-CG 4.29Å; F294-L299 HydrophobicContact CD1-CD2 3.78Å; F294-L299 HydrophobicContact CD1-CG 4.39Å; F294-L310 HydrophobicContact CE1-CD2 4.19Å; F294-L310 HydrophobicContact CZ-CD1 4.49Å
295	S	67.5	Low	58.1	Low	56 Å²	56	104.9 Å²	104.9	39%	0.392	59%	0.588	S	S	.	*			trans	-59.8	151.7	170	67.1	0	0	0	0	111.5	E297 K298 L299	S295-E297 PolarHBondContact O-N 2.76Å; S295-K298 PolarHBondContact O-N 2.71Å; S295-K298 WeakPolarHBondContact OG-CB 3.37Å; S295-K298 PolarHBondContact OG-N 3.24Å; S295-L299 PolarHBondContact O-N 2.89Å
296	E	69.1	Low	60.2	Low	172 Å²	172	103.3 Å²	103.3	80%	0.804	57%	0.569	S	S	*	*	H	α-helix	trans	-55.4	-38	177.8	-174	176.1	174.7	0	0	112.3	K298 L299 S300	E296-K298 VanDerWaalsContact C-N 3.34Å; E296-K298 PolarHBondContact O-N 2.87Å; E296-L299 PolarHBondContact O-N 3.48Å; E296-S300 VanDerWaalsContact O-CB 3.3Å; E296-S300 WeakPolarHBondContact O-CB 3.17Å; E296-S300 PolarHBondContact O-N 3.44Å; E296-S300 PolarHBondContact O-OG 3.13Å
297	E	70.4	Confident	62.1	Low	156 Å²	156	100.6 Å²	100.6	73%	0.729	55%	0.546	S	S	*	.	H	α-helix	trans	-64	-35.2	174.9	-169.6	175.4	-149	0	0	112.7	S295 S300 T301	S295-E297 PolarHBondContact O-N 2.76Å; E297-S300 WeakPolarHBondContact CA-OG 3.22Å; E297-S300 PolarHBondContact O-OG 3.4Å; E297-T301 WeakPolarHBondContact O-CG2 3.5Å; E297-T301 PolarHBondContact O-OG1 3.44Å
298	K	68.8	Low	64	Low	120 Å²	120	97 Å²	97	52%	0.522	53%	0.525	S	S	.	.	H	α-helix	trans	-83.4	-30.6	178.7	-160.8	176.7	-175.6	-176.6	0	112.7	A293 S295 E296 T301 M302	A293-K298 WeakPolarHBondContact O-CD 3.48Å; S295-K298 PolarHBondContact O-N 2.71Å; S295-K298 WeakPolarHBondContact OG-CB 3.37Å; S295-K298 PolarHBondContact OG-N 3.24Å; E296-K298 VanDerWaalsContact C-N 3.34Å; E296-K298 PolarHBondContact O-N 2.87Å; K298-T301 PolarHBondContact O-OG1 3.48Å; K298-M302 WeakPolarHBondContact O-CG 3.41Å
299	L	72.6	Confident	65.9	Low	52 Å²	52	91.2 Å²	91.2	27%	0.272	50%	0.504	S	S	.	.	H	α-helix	trans	-71.2	-43.3	172.2	-75.8	171.1	0	0	0	111.7	F294 S295 E296 T301 M302 L307 L310	F294-L299 HydrophobicContact CB-CD1 4.22Å; F294-L299 HydrophobicContact CB-CD2 4.48Å; F294-L299 HydrophobicContact CB-CG 4.29Å; F294-L299 HydrophobicContact CD1-CD2 3.78Å; F294-L299 HydrophobicContact CD1-CG 4.39Å; S295-L299 PolarHBondContact O-N 2.89Å; E296-L299 PolarHBondContact O-N 3.48Å; L299-T301 PolarHBondContact O-N 3.15Å; L299-M302 PolarHBondContact O-N 2.92Å; L299-L307 HydrophobicContact CB-CD2 4.49Å; L299-L307 HydrophobicContact CD2-CD2 3.82Å; L299-L310 HydrophobicContact CD2-CD2 3.88Å
300	S	74.9	Confident	68	Low	90 Å²	90	90 Å²	90	63%	0.629	48%	0.483	S	S	*	.	H	α-helix	trans	-68.2	-16.1	-178.6	53.2	0	0	0	0	114.6	E296 E297	E296-S300 VanDerWaalsContact O-CB 3.3Å; E296-S300 WeakPolarHBondContact O-CB 3.17Å; E296-S300 PolarHBondContact O-N 3.44Å; E296-S300 PolarHBondContact O-OG 3.13Å; E297-S300 WeakPolarHBondContact CA-OG 3.22Å; E297-S300 PolarHBondContact O-OG 3.4Å
301	T	76.5	Confident	69.6	Low	112 Å²	112	84.1 Å²	84.1	69%	0.687	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-3.1	175.4	46.3	0	0	0	0	114.2	E297 K298 L299	E297-T301 WeakPolarHBondContact O-CG2 3.5Å; E297-T301 PolarHBondContact O-OG1 3.44Å; K298-T301 PolarHBondContact O-OG1 3.48Å; L299-T301 PolarHBondContact O-N 3.15Å
302	M	71.7	Confident	71.2	Confident	74 Å²	74	81.8 Å²	81.8	37%	0.365	45%	0.447	S	S	.	.	S	Bend	trans	-82.2	154.3	178.5	-61.7	-116.9	89.6	0	0	112.4	K298 L299 F306 L307	K298-M302 WeakPolarHBondContact O-CG 3.41Å; L299-M302 PolarHBondContact O-N 2.92Å; M302-F306 HydrophobicContact CB-CD1 4.32Å; M302-F306 HydrophobicContact CG-CD1 4.49Å; M302-F306 HydrophobicContact SD-CD1 3.59Å; M302-F306 VanDerWaalsContact SD-CD1 3.59Å; M302-F306 HydrophobicContact SD-CE1 3.52Å; M302-F306 VanDerWaalsContact SD-CE1 3.52Å; M302-F306 HydrophobicContact SD-CZ 4.37Å; M302-L307 HydrophobicContact CB-CD1 4.5Å; M302-L307 HydrophobicContact CB-CD2 3.99Å; M302-L307 HydrophobicContact CB-CG 4.02Å
303	D	75.6	Confident	72.7	Confident	91 Å²	91	78.4 Å²	78.4	49%	0.487	42%	0.424	S	S	.	.			trans	-54.5	127.6	171.7	170.7	14.2	0	0	0	111.3	V305 F306 L307	D303-V305 PolarHBondContact O-N 3.4Å; D303-V305 VanDerWaalsContact O-N 3.12Å; D303-V305 PolarHBondContact OD1-N 3.01Å; D303-V305 WeakPolarHBondContact OD2-CB 3.36Å; D303-F306 HydrophobicContact CB-CB 4.12Å; D303-F306 WeakPolarHBondContact O-CA 3.49Å; D303-F306 WeakPolarHBondContact O-CB 3.23Å; D303-F306 PolarHBondContact O-N 3.03Å; D303-L307 PolarHBondContact O-N 3.02Å
304	P	73.8	Confident	73.9	Confident	93 Å²	93	79.8 Å²	79.8	60%	0.604	42%	0.423	S	S	*	.	H	α-helix	trans	-50.9	-31.9	173.1	-29.5	36.4	0	0	0	114.5	S308	P304-S308 WeakPolarHBondContact O-CB 3.38Å; P304-S308 PolarHBondContact O-N 2.75Å
305	V	70.8	Confident	74.9	Confident	65 Å²	65	76 Å²	76	39%	0.394	41%	0.407	S	S	.	.	H	α-helix	trans	-67.2	-46.2	174.2	-174.9	0	0	0	0	110.3	D303 L307 S308 V309	D303-V305 PolarHBondContact O-N 3.4Å; D303-V305 VanDerWaalsContact O-N 3.12Å; D303-V305 PolarHBondContact OD1-N 3.01Å; D303-V305 WeakPolarHBondContact OD2-CB 3.36Å; V305-L307 PolarHBondContact O-N 3.3Å; V305-S308 PolarHBondContact O-N 3.16Å; V305-S308 PolarHBondContact O-OG 3.46Å; V305-V309 WeakPolarHBondContact O-CG2 3.38Å; V305-V309 PolarHBondContact O-N 3.1Å
306	F	74.8	Confident	75.5	Confident	87 Å²	87	79.9 Å²	79.9	38%	0.382	42%	0.417	S	S	.	.	H	α-helix	trans	-59.1	-44.5	174.2	-176	-90	0	0	0	112	M302 D303 S308 V309 L310	M302-F306 HydrophobicContact CB-CD1 4.32Å; M302-F306 HydrophobicContact CG-CD1 4.49Å; M302-F306 HydrophobicContact SD-CD1 3.59Å; M302-F306 VanDerWaalsContact SD-CD1 3.59Å; M302-F306 HydrophobicContact SD-CE1 3.52Å; M302-F306 VanDerWaalsContact SD-CE1 3.52Å; M302-F306 HydrophobicContact SD-CZ 4.37Å; D303-F306 HydrophobicContact CB-CB 4.12Å; D303-F306 WeakPolarHBondContact O-CA 3.49Å; D303-F306 WeakPolarHBondContact O-CB 3.23Å; D303-F306 PolarHBondContact O-N 3.03Å; F306-S308 VanDerWaalsContact C-N 3.32Å; F306-S308 PolarHBondContact O-N 3.39Å; F306-V309 PolarHBondContact O-N 2.86Å; F306-V309 VanDerWaalsContact O-N 3.15Å; F306-L310 WeakPolarHBondContact O-CB 2.88Å; F306-L310 PolarHBondContact O-N 3.18Å
307	L	73.7	Confident	76.2	Confident	55 Å²	55	74.9 Å²	74.9	29%	0.288	40%	0.4	S	S	.	.	H	α-helix	trans	-61	-39.1	175	-67.4	176	0	0	0	112.1	L299 M302 D303 V305 V309 L310 A311	L299-L307 HydrophobicContact CB-CD2 4.49Å; L299-L307 HydrophobicContact CD2-CD2 3.82Å; M302-L307 HydrophobicContact CB-CD1 4.5Å; M302-L307 HydrophobicContact CB-CD2 3.99Å; M302-L307 HydrophobicContact CB-CG 4.02Å; D303-L307 PolarHBondContact O-N 3.02Å; V305-L307 PolarHBondContact O-N 3.3Å; L307-V309 VanDerWaalsContact C-N 3.35Å; L307-V309 PolarHBondContact O-N 2.93Å; L307-L310 PolarHBondContact O-N 3.36Å; L307-A311 WeakPolarHBondContact O-CB 3.39Å; L307-A311 PolarHBondContact O-N 3.38Å
308	S	75.1	Confident	76.7	Confident	20 Å²	20	69 Å²	69	14%	0.14	37%	0.373	C	S	.	.	H	α-helix	trans	-65.6	-35.9	174.5	83.9	0	0	0	0	112.6	P304 V305 F306 N312	P304-S308 WeakPolarHBondContact O-CB 3.38Å; P304-S308 PolarHBondContact O-N 2.75Å; V305-S308 PolarHBondContact O-N 3.16Å; V305-S308 PolarHBondContact O-OG 3.46Å; F306-S308 VanDerWaalsContact C-N 3.32Å; F306-S308 PolarHBondContact O-N 3.39Å; S308-N312 WeakPolarHBondContact O-CB 3.29Å; S308-N312 PolarHBondContact O-N 2.69Å; S308-N312 PolarHBondContact O-ND2 3.47Å
309	V	75.3	Confident	77.5	Confident	54 Å²	54	67.2 Å²	67.2	33%	0.327	37%	0.369	S	S	.	.	H	α-helix	trans	-71.2	-40.6	176.3	171.7	0	0	0	0	110.4	V305 F306 L307 N312 R313	V305-V309 WeakPolarHBondContact O-CG2 3.38Å; V305-V309 PolarHBondContact O-N 3.1Å; F306-V309 PolarHBondContact O-N 2.86Å; F306-V309 VanDerWaalsContact O-N 3.15Å; L307-V309 VanDerWaalsContact C-N 3.35Å; L307-V309 PolarHBondContact O-N 2.93Å; V309-N312 WeakPolarHBondContact O-CB 3.46Å; V309-N312 PolarHBondContact O-N 3.12Å; V309-R313 VanDerWaalsContact O-CG 3.29Å; V309-R313 WeakPolarHBondContact O-CG 3.45Å; V309-R313 PolarHBondContact O-N 2.81Å
310	L	79.6	Confident	77.9	Confident	38 Å²	38	72.3 Å²	72.3	20%	0.199	39%	0.389	C	S	.	.	H	α-helix	trans	-60.6	-49.4	173.6	-173.7	68.6	0	0	0	111.1	F294 L299 F306 L307 N312 R313 L314	F294-L310 HydrophobicContact CE1-CD2 4.19Å; F294-L310 HydrophobicContact CZ-CD1 4.49Å; L299-L310 HydrophobicContact CD2-CD2 3.88Å; F306-L310 WeakPolarHBondContact O-CB 2.88Å; F306-L310 PolarHBondContact O-N 3.18Å; L307-L310 PolarHBondContact O-N 3.36Å; L310-N312 VanDerWaalsContact C-N 3.35Å; L310-N312 PolarHBondContact O-N 2.84Å; L310-R313 PolarHBondContact O-N 3.09Å; L310-R313 VanDerWaalsContact O-N 3.15Å; L310-L314 WeakPolarHBondContact O-CG 3.43Å; L310-L314 PolarHBondContact O-N 3.23Å; L310-L314 VanDerWaalsContact O-N 3.11Å
311	A	79.4	Confident	78.3	Confident	21 Å²	21	70.9 Å²	70.9	17%	0.174	38%	0.376	C	S	.	.	H	α-helix	trans	-55.6	-47	175	0	0	0	0	0	112	L307 R313 L314 I315 L340	L307-A311 WeakPolarHBondContact O-CB 3.39Å; L307-A311 PolarHBondContact O-N 3.38Å; A311-R313 PolarHBondContact O-N 3.49Å; A311-L314 PolarHBondContact O-N 3.26Å; A311-I315 PolarHBondContact O-N 3Å; A311-L340 HydrophobicContact CB-CD2 4.05Å
312	N	79.3	Confident	78.5	Confident	68 Å²	68	65.6 Å²	65.6	36%	0.364	34%	0.344	S	S	.	.	H	α-helix	trans	-57.5	-45.2	174.5	-92.2	-67.8	0	0	0	113.4	S308 V309 L310 L314 I315 T344	S308-N312 WeakPolarHBondContact O-CB 3.29Å; S308-N312 PolarHBondContact O-N 2.69Å; S308-N312 PolarHBondContact O-ND2 3.47Å; V309-N312 WeakPolarHBondContact O-CB 3.46Å; V309-N312 PolarHBondContact O-N 3.12Å; L310-N312 VanDerWaalsContact C-N 3.35Å; L310-N312 PolarHBondContact O-N 2.84Å; N312-L314 PolarHBondContact O-N 3.47Å; N312-I315 PolarHBondContact O-N 3.45Å; N312-T344 WeakPolarHBondContact ND2-CG2 3.47Å; N312-T344 PolarHBondContact ND2-OG1 2.94Å; N312-T344 WeakPolarHBondContact OD1-CG2 3.49Å
313	R	80.2	Confident	79	Confident	65 Å²	65	66.6 Å²	66.6	25%	0.245	36%	0.358	C	S	.	.	H	α-helix	trans	-63.6	-30.4	179.6	-72.9	178.4	-169.7	177.6	3.5	112	H268 V309 L310 A311 P317	H268-R313 PolarHBondContact O-NH2 3.32Å; V309-R313 VanDerWaalsContact O-CG 3.29Å; V309-R313 WeakPolarHBondContact O-CG 3.45Å; V309-R313 PolarHBondContact O-N 2.81Å; L310-R313 PolarHBondContact O-N 3.09Å; L310-R313 VanDerWaalsContact O-N 3.15Å; A311-R313 PolarHBondContact O-N 3.49Å; R313-P317 WeakPolarHBondContact O-CD 3.44Å; R313-P317 WeakPolarHBondContact O-CG 3.16Å
314	L	81.9	Confident	79.1	Confident	84 Å²	84	66.7 Å²	66.7	44%	0.44	37%	0.366	S	S	.	.	H	α-helix	trans	-73.8	-24.7	177.4	-68.3	171.6	0	0	0	114.1	L310 A311 N312 K316 P317 L318 L340	L310-L314 WeakPolarHBondContact O-CG 3.43Å; L310-L314 PolarHBondContact O-N 3.23Å; L310-L314 VanDerWaalsContact O-N 3.11Å; A311-L314 PolarHBondContact O-N 3.26Å; N312-L314 PolarHBondContact O-N 3.47Å; L314-K316 PolarHBondContact O-N 2.96Å; L314-P317 WeakPolarHBondContact O-CD 3.48Å; L314-L318 HydrophobicContact CB-CD1 4.34Å; L314-L318 WeakPolarHBondContact O-CB 3.39Å; L314-L318 WeakPolarHBondContact O-CD1 3.19Å; L314-L318 VanDerWaalsContact O-CG 3.23Å; L314-L318 WeakPolarHBondContact O-CG 3.19Å; L314-L318 PolarHBondContact O-N 2.95Å; L314-L340 HydrophobicContact CB-CD1 4.06Å
315	I	82.8	Confident	79.4	Confident	22 Å²	22	65.2 Å²	65.2	11%	0.113	35%	0.353	C	S	.	.	H	α-helix	trans	-57.5	-48.1	-178.2	-61.7	169.8	0	0	0	111.6	A311 N312 L319 A337 L340	A311-I315 PolarHBondContact O-N 3Å; N312-I315 PolarHBondContact O-N 3.45Å; I315-L319 HydrophobicContact CG2-CD1 3.96Å; I315-L319 WeakPolarHBondContact O-CG 3.27Å; I315-L319 PolarHBondContact O-N 2.94Å; I315-A337 HydrophobicContact CG2-CB 4.33Å; I315-L340 HydrophobicContact CD1-CB 4.33Å; I315-L340 HydrophobicContact CG1-CB 3.81Å
316	K	79.7	Confident	79.5	Confident	138 Å²	138	67.3 Å²	67.3	60%	0.6	37%	0.37	S	S	*	.	H	α-helix	trans	-68	-48.2	-177.2	-74	176.9	-179.1	174.9	0	113.1	L314 L319 K320	L314-K316 PolarHBondContact O-N 2.96Å; K316-L319 PolarHBondContact O-N 3.36Å; K316-K320 WeakPolarHBondContact O-CB 3.48Å; K316-K320 PolarHBondContact O-N 2.94Å
317	P	82.5	Confident	79.8	Confident	67 Å²	67	65.1 Å²	65.1	44%	0.435	37%	0.372	S	S	.	.	H	α-helix	trans	-54.3	-47.7	170.5	-28.2	35.5	0	0	0	113.3	R313 L314 L319 K320 V321	R313-P317 WeakPolarHBondContact O-CD 3.44Å; R313-P317 WeakPolarHBondContact O-CG 3.16Å; L314-P317 WeakPolarHBondContact O-CD 3.48Å; P317-L319 PolarHBondContact O-N 3.47Å; P317-K320 WeakPolarHBondContact O-CB 3.32Å; P317-K320 PolarHBondContact O-N 3.39Å; P317-K320 VanDerWaalsContact O-N 3.15Å; P317-V321 WeakPolarHBondContact O-CG2 3.46Å; P317-V321 PolarHBondContact O-N 2.82Å
318	L	82.1	Confident	79.9	Confident	34 Å²	34	67.9 Å²	67.9	18%	0.178	39%	0.393	C	S	.	.	H	α-helix	trans	-59.9	-45.8	179.2	-72.4	169.1	0	0	0	111.7	L314 K320 V321 A322 L333 Q336 A337 L340	L314-L318 HydrophobicContact CB-CD1 4.34Å; L314-L318 WeakPolarHBondContact O-CB 3.39Å; L314-L318 WeakPolarHBondContact O-CD1 3.19Å; L314-L318 VanDerWaalsContact O-CG 3.23Å; L314-L318 WeakPolarHBondContact O-CG 3.19Å; L314-L318 PolarHBondContact O-N 2.95Å; L318-K320 PolarHBondContact O-N 3.36Å; L318-V321 PolarHBondContact O-N 3.43Å; L318-A322 WeakPolarHBondContact O-CB 2.9Å; L318-A322 PolarHBondContact O-N 3.05Å; L318-L333 HydrophobicContact CD2-CD2 3.64Å; L318-Q336 HydrophobicContact CD1-CB 4.31Å; L318-A337 HydrophobicContact CB-CB 3.98Å; L318-A337 HydrophobicContact CD1-CB 4.48Å; L318-L340 HydrophobicContact CD1-CD1 3.6Å
319	L	84.4	Confident	80	Confident	82 Å²	82	73.1 Å²	73.1	43%	0.429	42%	0.415	S	S	.	.	H	α-helix	trans	-64.9	-36.4	175.4	-69.6	174.2	0	0	0	112.8	I315 K316 P317 A322 S323 R334 A337	I315-L319 HydrophobicContact CG2-CD1 3.96Å; I315-L319 WeakPolarHBondContact O-CG 3.27Å; I315-L319 PolarHBondContact O-N 2.94Å; K316-L319 PolarHBondContact O-N 3.36Å; P317-L319 PolarHBondContact O-N 3.47Å; L319-A322 PolarHBondContact O-N 3.26Å; L319-S323 PolarHBondContact O-N 3.33Å; L319-S323 VanDerWaalsContact O-N 3.11Å; L319-R334 HydrophobicContact CD2-CG 4.29Å; L319-A337 HydrophobicContact CD2-CB 3.73Å; L319-A337 HydrophobicContact CG-CB 3.72Å
320	K	82.6	Confident	80.2	Confident	159 Å²	159	70.6 Å²	70.6	69%	0.691	40%	0.4	S	S	*	.	H	α-helix	trans	-65.2	-48.6	176.6	-171.4	177.6	178.2	-173.9	0	111	K316 P317 L318 A322 S323 S324	K316-K320 WeakPolarHBondContact O-CB 3.48Å; K316-K320 PolarHBondContact O-N 2.94Å; P317-K320 WeakPolarHBondContact O-CB 3.32Å; P317-K320 PolarHBondContact O-N 3.39Å; P317-K320 VanDerWaalsContact O-N 3.15Å; L318-K320 PolarHBondContact O-N 3.36Å; K320-A322 VanDerWaalsContact C-N 3.32Å; K320-A322 PolarHBondContact O-N 3.49Å; K320-S323 WeakPolarHBondContact O-CB 3.4Å; K320-S323 PolarHBondContact O-N 3.22Å; K320-S323 PolarHBondContact O-OG 3.37Å; K320-S324 PolarHBondContact O-N 3.02Å
321	V	81.6	Confident	80.2	Confident	59 Å²	59	73.7 Å²	73.7	36%	0.358	42%	0.417	S	S	.	.	H	α-helix	trans	-64.7	-37.1	175.7	179.5	0	0	0	0	111.1	P317 L318 S323 S324 I325 L333	P317-V321 WeakPolarHBondContact O-CG2 3.46Å; P317-V321 PolarHBondContact O-N 2.82Å; L318-V321 PolarHBondContact O-N 3.43Å; V321-S323 PolarHBondContact O-N 2.88Å; V321-S324 WeakPolarHBondContact CA-OG 3.47Å; V321-S324 PolarHBondContact O-N 2.76Å; V321-S324 VanDerWaalsContact O-N 3.14Å; V321-S324 PolarHBondContact O-OG 2.94Å; V321-I325 HydrophobicContact CG1-CD1 3.63Å; V321-I325 HydrophobicContact CG1-CG1 4.34Å; V321-I325 PolarHBondContact O-N 3.4Å; V321-L333 HydrophobicContact CB-CD1 4.29Å; V321-L333 HydrophobicContact CG1-CD1 3.75Å
322	A	81.6	Confident	80.3	Confident	1 Å²	1	77.8 Å²	77.8	1%	0.008	44%	0.435	C	S	.	.	H	α-helix	trans	-68.8	-8.1	173.2	0	0	0	0	0	114.6	L318 L319 K320 L333 R334	L318-A322 WeakPolarHBondContact O-CB 2.9Å; L318-A322 PolarHBondContact O-N 3.05Å; L319-A322 PolarHBondContact O-N 3.26Å; K320-A322 VanDerWaalsContact C-N 3.32Å; K320-A322 PolarHBondContact O-N 3.49Å; A322-L333 HydrophobicContact CB-CB 3.7Å; A322-L333 HydrophobicContact CB-CD1 4.38Å; A322-R334 HydrophobicContact CB-CG 3.75Å; A322-R334 PolarHBondContact O-NH2 3.47Å
323	S	81.6	Confident	80.5	Confident	95 Å²	95	76 Å²	76	66%	0.664	43%	0.426	S	S	*	.	H	α-helix	trans	-96.2	-20.3	171.7	76.3	0	0	0	0	113	L319 K320 V321	L319-S323 PolarHBondContact O-N 3.33Å; L319-S323 VanDerWaalsContact O-N 3.11Å; K320-S323 WeakPolarHBondContact O-CB 3.4Å; K320-S323 PolarHBondContact O-N 3.22Å; K320-S323 PolarHBondContact O-OG 3.37Å; V321-S323 PolarHBondContact O-N 2.88Å
324	S	78.7	Confident	80.7	Confident	94 Å²	94	77.7 Å²	77.7	66%	0.657	43%	0.432	S	S	*	.	H	α-helix	trans	-94.5	-8	177.2	56.2	0	0	0	0	114.5	K320 V321	K320-S324 PolarHBondContact O-N 3.02Å; V321-S324 WeakPolarHBondContact CA-OG 3.47Å; V321-S324 PolarHBondContact O-N 2.76Å; V321-S324 VanDerWaalsContact O-N 3.14Å; V321-S324 PolarHBondContact O-OG 2.94Å
325	I	78.9	Confident	80.8	Confident	62 Å²	62	76.1 Å²	76.1	32%	0.318	43%	0.431	S	S	.	.			trans	-117.7	145.1	179.6	-56.6	177.4	0	0	0	109.4	V321 Q329 A330 L333	V321-I325 HydrophobicContact CG1-CD1 3.63Å; V321-I325 HydrophobicContact CG1-CG1 4.34Å; V321-I325 PolarHBondContact O-N 3.4Å; I325-Q329 HydrophobicContact CG2-CB 4.23Å; I325-A330 WeakPolarHBondContact O-CB 3.44Å; I325-L333 HydrophobicContact CD1-CD1 4.43Å
326	S	74.6	Confident	80.8	Confident	108 Å²	108	79.4 Å²	79.4	76%	0.755	45%	0.446	S	S	*	.			trans	-107	160.1	174.1	60.2	0	0	0	0	112.1
327	G	79.5	Confident	81.1	Confident	41 Å²	41	72.9 Å²	72.9	42%	0.423	42%	0.418	S	S	.	.	S	Bend	trans	85.4	-161.8	175.1	0	0	0	0	0	115.6	Q329 A330	G327-Q329 VanDerWaalsContact C-N 3.3Å; G327-Q329 PolarHBondContact O-N 3.44Å; G327-A330 PolarHBondContact O-N 3.13Å; G327-A330 VanDerWaalsContact O-N 3.13Å
328	P	77.2	Confident	81	Confident	113 Å²	113	74.1 Å²	74.1	73%	0.734	42%	0.424	S	S	*	.	H	α-helix	trans	-58.9	-35.7	-169.6	-26.1	34.8	0	0	0	114.4	A330 N331 L332	P328-A330 VanDerWaalsContact C-N 3.32Å; P328-A330 PolarHBondContact O-N 3.02Å; P328-N331 PolarHBondContact O-N 3.02Å; P328-N331 VanDerWaalsContact O-N 3.13Å; P328-L332 PolarHBondContact O-N 3.14Å
329	Q	75.7	Confident	81	Confident	131 Å²	131	75.7 Å²	75.7	61%	0.612	44%	0.435	S	S	*	.	H	α-helix	trans	-60.1	-40.7	178.4	-67.4	172.9	-12.5	0	0	111.9	I325 G327 N331 L332 L333	I325-Q329 HydrophobicContact CG2-CB 4.23Å; G327-Q329 VanDerWaalsContact C-N 3.3Å; G327-Q329 PolarHBondContact O-N 3.44Å; Q329-N331 VanDerWaalsContact C-N 3.32Å; Q329-N331 PolarHBondContact O-N 3.49Å; Q329-L332 PolarHBondContact O-N 3.43Å; Q329-L333 WeakPolarHBondContact O-CG 3.34Å; Q329-L333 PolarHBondContact O-N 3.38Å
330	A	79.3	Confident	81	Confident	1 Å²	1	73.6 Å²	73.6	1%	0.008	43%	0.425	C	S	.	.	H	α-helix	trans	-66.4	-33.7	176.8	0	0	0	0	0	112.6	I325 G327 P328 R334	I325-A330 WeakPolarHBondContact O-CB 3.44Å; G327-A330 PolarHBondContact O-N 3.13Å; G327-A330 VanDerWaalsContact O-N 3.13Å; P328-A330 VanDerWaalsContact C-N 3.32Å; P328-A330 PolarHBondContact O-N 3.02Å; A330-R334 WeakPolarHBondContact O-CG 3.33Å; A330-R334 PolarHBondContact O-N 2.9Å; A330-R334 VanDerWaalsContact O-N 3.14Å
331	N	79.6	Confident	80.8	Confident	102 Å²	102	68.7 Å²	68.7	55%	0.545	41%	0.41	S	S	.	.	H	α-helix	trans	-70.2	-39.9	175	-67.1	-14.2	0	0	0	111.4	P328 Q329 R334 A335	P328-N331 PolarHBondContact O-N 3.02Å; P328-N331 VanDerWaalsContact O-N 3.13Å; Q329-N331 VanDerWaalsContact C-N 3.32Å; Q329-N331 PolarHBondContact O-N 3.49Å; N331-R334 PolarHBondContact O-N 3.26Å; N331-R334 PolarHBondContact OD1-NH1 2.96Å; N331-A335 WeakPolarHBondContact O-CB 3.49Å; N331-A335 PolarHBondContact O-N 3.44Å
332	L	83	Confident	80.5	Confident	107 Å²	107	68.6 Å²	68.6	56%	0.56	41%	0.412	S	S	*	.	H	α-helix	trans	-61.8	-47	175.2	-177.6	64.4	0	0	0	111.9	P328 Q329 R334 A335 Q336	P328-L332 PolarHBondContact O-N 3.14Å; Q329-L332 PolarHBondContact O-N 3.43Å; L332-R334 VanDerWaalsContact C-N 3.34Å; L332-R334 PolarHBondContact O-N 3.21Å; L332-A335 WeakPolarHBondContact O-CB 3.45Å; L332-A335 PolarHBondContact O-N 3.41Å; L332-Q336 WeakPolarHBondContact O-CG 3.41Å; L332-Q336 PolarHBondContact O-N 3.36Å
333	L	83.2	Confident	79.9	Confident	31 Å²	31	71.2 Å²	71.2	16%	0.162	43%	0.426	C	S	.	.	H	α-helix	trans	-62.9	-37.8	178.1	-69.4	170	0	0	0	112.3	L318 V321 A322 I325 Q329 A337	L318-L333 HydrophobicContact CD2-CD2 3.64Å; V321-L333 HydrophobicContact CB-CD1 4.29Å; V321-L333 HydrophobicContact CG1-CD1 3.75Å; A322-L333 HydrophobicContact CB-CB 3.7Å; A322-L333 HydrophobicContact CB-CD1 4.38Å; I325-L333 HydrophobicContact CD1-CD1 4.43Å; Q329-L333 WeakPolarHBondContact O-CG 3.34Å; Q329-L333 PolarHBondContact O-N 3.38Å; L333-A337 WeakPolarHBondContact O-CB 3.46Å; L333-A337 PolarHBondContact O-N 2.88Å
334	R	83.9	Confident	79.1	Confident	101 Å²	101	67.9 Å²	67.9	38%	0.381	40%	0.401	S	S	.	.	H	α-helix	trans	-65.4	-44.3	172.2	-70.8	176.9	-151	118.8	4.5	111.7	L319 A322 A330 N331 L332 Q336 A337 T338	L319-R334 HydrophobicContact CD2-CG 4.29Å; A322-R334 HydrophobicContact CB-CG 3.75Å; A322-R334 PolarHBondContact O-NH2 3.47Å; A330-R334 WeakPolarHBondContact O-CG 3.33Å; A330-R334 PolarHBondContact O-N 2.9Å; A330-R334 VanDerWaalsContact O-N 3.14Å; N331-R334 PolarHBondContact O-N 3.26Å; N331-R334 PolarHBondContact OD1-NH1 2.96Å; L332-R334 VanDerWaalsContact C-N 3.34Å; L332-R334 PolarHBondContact O-N 3.21Å; R334-Q336 PolarHBondContact O-N 3.11Å; R334-A337 PolarHBondContact O-N 3.45Å; R334-T338 PolarHBondContact O-N 3.15Å; R334-T338 PolarHBondContact O-OG1 3.15Å
335	A	84	Confident	78.2	Confident	51 Å²	51	66.4 Å²	66.4	42%	0.421	39%	0.391	S	S	.	.	H	α-helix	trans	-59.7	-45.5	176.9	0	0	0	0	0	111.6	N331 L332 A337 T338 T339	N331-A335 WeakPolarHBondContact O-CB 3.49Å; N331-A335 PolarHBondContact O-N 3.44Å; L332-A335 WeakPolarHBondContact O-CB 3.45Å; L332-A335 PolarHBondContact O-N 3.41Å; A335-A337 PolarHBondContact O-N 3.39Å; A335-T338 PolarHBondContact O-N 2.99Å; A335-T339 PolarHBondContact O-N 3.39Å; A335-T339 PolarHBondContact O-OG1 2.92Å; A335-T339 VanDerWaalsContact O-OG1 3.09Å
336	Q	83.5	Confident	77	Confident	90 Å²	90	68.1 Å²	68.1	42%	0.421	40%	0.401	S	S	.	.	H	α-helix	trans	-58.6	-47.2	174.3	-73.4	177	-35.7	0	0	112.1	L318 L332 R334 T338 T339 L340	L318-Q336 HydrophobicContact CD1-CB 4.31Å; L332-Q336 WeakPolarHBondContact O-CG 3.41Å; L332-Q336 PolarHBondContact O-N 3.36Å; R334-Q336 PolarHBondContact O-N 3.11Å; Q336-T338 VanDerWaalsContact C-N 3.32Å; Q336-T338 PolarHBondContact O-N 2.85Å; Q336-T339 PolarHBondContact O-N 3.14Å; Q336-L340 WeakPolarHBondContact O-CG 3.45Å; Q336-L340 PolarHBondContact O-N 3.24Å
337	A	84.7	Confident	75.9	Confident	2 Å²	2	67.2 Å²	67.2	2%	0.017	39%	0.386	C	S	.	.	H	α-helix	trans	-62.1	-37.8	176.7	0	0	0	0	0	112.8	I315 L318 L319 L333 R334 A335 S341	I315-A337 HydrophobicContact CG2-CB 4.33Å; L318-A337 HydrophobicContact CB-CB 3.98Å; L318-A337 HydrophobicContact CD1-CB 4.48Å; L319-A337 HydrophobicContact CD2-CB 3.73Å; L319-A337 HydrophobicContact CG-CB 3.72Å; L333-A337 WeakPolarHBondContact O-CB 3.46Å; L333-A337 PolarHBondContact O-N 2.88Å; R334-A337 PolarHBondContact O-N 3.45Å; A335-A337 PolarHBondContact O-N 3.39Å; A337-S341 WeakPolarHBondContact O-CB 3.36Å; A337-S341 PolarHBondContact O-N 2.91Å
338	T	82	Confident	74.3	Confident	92 Å²	92	69.8 Å²	69.8	56%	0.564	40%	0.398	S	S	*	.	H	α-helix	trans	-66.5	-42.7	174.9	-59	0	0	0	0	111.7	R334 A335 Q336 S341 S342	R334-T338 PolarHBondContact O-N 3.15Å; R334-T338 PolarHBondContact O-OG1 3.15Å; A335-T338 PolarHBondContact O-N 2.99Å; Q336-T338 VanDerWaalsContact C-N 3.32Å; Q336-T338 PolarHBondContact O-N 2.85Å; T338-S341 WeakPolarHBondContact O-CB 3.06Å; T338-S341 PolarHBondContact O-N 3.44Å; T338-S342 PolarHBondContact O-N 3.5Å; T338-S342 PolarHBondContact O-OG 2.97Å
339	T	82.2	Confident	72.7	Confident	67 Å²	67	71.3 Å²	71.3	41%	0.411	40%	0.395	S	S	.	.	H	α-helix	trans	-64.9	-41.5	176.3	-57.8	0	0	0	0	112.2	A335 Q336 S341 S342 L343	A335-T339 PolarHBondContact O-N 3.39Å; A335-T339 PolarHBondContact O-OG1 2.92Å; A335-T339 VanDerWaalsContact O-OG1 3.09Å; Q336-T339 PolarHBondContact O-N 3.14Å; T339-S341 VanDerWaalsContact C-N 3.3Å; T339-S341 PolarHBondContact O-N 2.96Å; T339-S342 PolarHBondContact O-N 3.25Å; T339-S342 PolarHBondContact O-OG 3.46Å; T339-L343 HydrophobicContact CG2-CD1 3.93Å; T339-L343 HydrophobicContact CG2-CG 4.41Å; T339-L343 WeakPolarHBondContact O-CB 3.42Å; T339-L343 VanDerWaalsContact O-CG 3.25Å; T339-L343 WeakPolarHBondContact O-CG 3.43Å; T339-L343 PolarHBondContact O-N 2.78Å
340	L	82.9	Confident	71	Confident	39 Å²	39	71.7 Å²	71.7	20%	0.204	40%	0.401	C	S	.	.	H	α-helix	trans	-64.8	-35.5	173.6	-68.5	173.2	0	0	0	112	A311 L314 I315 L318 Q336 T344	A311-L340 HydrophobicContact CB-CD2 4.05Å; L314-L340 HydrophobicContact CB-CD1 4.06Å; I315-L340 HydrophobicContact CD1-CB 4.33Å; I315-L340 HydrophobicContact CG1-CB 3.81Å; L318-L340 HydrophobicContact CD1-CD1 3.6Å; Q336-L340 WeakPolarHBondContact O-CG 3.45Å; Q336-L340 PolarHBondContact O-N 3.24Å; L340-T344 WeakPolarHBondContact O-CB 3.26Å; L340-T344 PolarHBondContact O-N 3.18Å; L340-T344 PolarHBondContact O-OG1 2.97Å
341	S	78.9	Confident	69.2	Low	55 Å²	55	81.4 Å²	81.4	39%	0.385	44%	0.438	S	S	.	.	H	α-helix	trans	-66.3	-42.8	174.2	-169.3	0	0	0	0	112.4	A337 T338 T339 T344 S345	A337-S341 WeakPolarHBondContact O-CB 3.36Å; A337-S341 PolarHBondContact O-N 2.91Å; T338-S341 WeakPolarHBondContact O-CB 3.06Å; T338-S341 PolarHBondContact O-N 3.44Å; T339-S341 VanDerWaalsContact C-N 3.3Å; T339-S341 PolarHBondContact O-N 2.96Å; S341-T344 PolarHBondContact O-N 2.89Å; S341-S345 PolarHBondContact O-N 3.27Å; S341-S345 PolarHBondContact O-OG 3.03Å
342	S	75.8	Confident	67	Low	58 Å²	58	82.7 Å²	82.7	41%	0.406	45%	0.445	S	S	.	.	H	α-helix	trans	-71.5	-39.1	178.5	58.4	0	0	0	0	112.2	T338 T339 T344 S345 L346	T338-S342 PolarHBondContact O-N 3.5Å; T338-S342 PolarHBondContact O-OG 2.97Å; T339-S342 PolarHBondContact O-N 3.25Å; T339-S342 PolarHBondContact O-OG 3.46Å; S342-T344 VanDerWaalsContact C-N 3.3Å; S342-T344 PolarHBondContact O-N 2.73Å; S342-S345 PolarHBondContact O-N 2.8Å; S342-L346 WeakPolarHBondContact O-CG 3.44Å; S342-L346 PolarHBondContact O-N 3.19Å
343	L	69.6	Low	64.9	Low	56 Å²	56	86.8 Å²	86.8	29%	0.293	46%	0.461	S	S	.	.	H	α-helix	trans	-60.9	-38.7	172.7	-74.1	169.1	0	0	0	112	T339 L346 I347 W358	T339-L343 HydrophobicContact CG2-CD1 3.93Å; T339-L343 HydrophobicContact CG2-CG 4.41Å; T339-L343 WeakPolarHBondContact O-CB 3.42Å; T339-L343 VanDerWaalsContact O-CG 3.25Å; T339-L343 WeakPolarHBondContact O-CG 3.43Å; T339-L343 PolarHBondContact O-N 2.78Å; L343-L346 PolarHBondContact O-N 2.89Å; L343-I347 WeakPolarHBondContact O-CB 3.47Å; L343-I347 WeakPolarHBondContact O-CD1 3.39Å; L343-I347 VanDerWaalsContact O-CG1 3.26Å; L343-I347 WeakPolarHBondContact O-CG1 3.3Å; L343-I347 PolarHBondContact O-N 3.19Å; L343-W358 HydrophobicContact CD2-CH2 4.06Å
344	T	63.8	Low	62.4	Low	24 Å²	24	92.5 Å²	92.5	15%	0.147	49%	0.491	C	S	.	.	H	α-helix	trans	-61.3	-46	173.8	-64	0	0	0	0	111.8	N312 L340 S341 S342 L346 I347 S348	N312-T344 WeakPolarHBondContact ND2-CG2 3.47Å; N312-T344 PolarHBondContact ND2-OG1 2.94Å; N312-T344 WeakPolarHBondContact OD1-CG2 3.49Å; L340-T344 WeakPolarHBondContact O-CB 3.26Å; L340-T344 PolarHBondContact O-N 3.18Å; L340-T344 PolarHBondContact O-OG1 2.97Å; S341-T344 PolarHBondContact O-N 2.89Å; S342-T344 VanDerWaalsContact C-N 3.3Å; S342-T344 PolarHBondContact O-N 2.73Å; T344-L346 VanDerWaalsContact C-N 3.31Å; T344-L346 PolarHBondContact O-N 3.48Å; T344-I347 PolarHBondContact O-N 2.86Å; T344-S348 WeakPolarHBondContact O-CB 3.35Å; T344-S348 PolarHBondContact O-N 3.48Å
345	S	59.1	Low	59.9	Low	64 Å²	64	92.8 Å²	92.8	45%	0.448	51%	0.509	S	S	.	.	H	α-helix	trans	-58.6	-45.1	176.7	-63.5	0	0	0	0	111.3	S341 S342 S348 E349	S341-S345 PolarHBondContact O-N 3.27Å; S341-S345 PolarHBondContact O-OG 3.03Å; S342-S345 PolarHBondContact O-N 2.8Å; S345-S348 PolarHBondContact O-N 3.16Å; S345-E349 WeakPolarHBondContact O-CG 3.38Å; S345-E349 PolarHBondContact O-N 3.31Å; S345-E349 VanDerWaalsContact O-N 3.1Å
346	L	53.6	Low	57.5	Low	98 Å²	98	98 Å²	98	51%	0.513	53%	0.529	S	S	.	.	H	α-helix	trans	-62.7	-45.6	177.1	-70	163.4	0	0	0	112.6	S342 L343 T344 S348 E349 N350	S342-L346 WeakPolarHBondContact O-CG 3.44Å; S342-L346 PolarHBondContact O-N 3.19Å; L343-L346 PolarHBondContact O-N 2.89Å; T344-L346 VanDerWaalsContact C-N 3.31Å; T344-L346 PolarHBondContact O-N 3.48Å; L346-S348 VanDerWaalsContact C-N 3.26Å; L346-S348 PolarHBondContact O-N 2.81Å; L346-E349 PolarHBondContact O-N 2.92Å; L346-N350 WeakPolarHBondContact O-CB 3.01Å; L346-N350 PolarHBondContact O-N 2.79Å
347	I	52.9	Low	55	Low	88 Å²	88	99.1 Å²	99.1	45%	0.451	54%	0.544	S	S	.	.	H	α-helix	trans	-65.3	-31.7	178.4	-66.7	162.9	0	0	0	111.4	L343 T344 E349	L343-I347 WeakPolarHBondContact O-CB 3.47Å; L343-I347 WeakPolarHBondContact O-CD1 3.39Å; L343-I347 VanDerWaalsContact O-CG1 3.26Å; L343-I347 WeakPolarHBondContact O-CG1 3.3Å; L343-I347 PolarHBondContact O-N 3.19Å; T344-I347 PolarHBondContact O-N 2.86Å; I347-E349 VanDerWaalsContact C-N 3.32Å
348	S	45.4	Very low	52.2	Low	96 Å²	96	109.5 Å²	109.5	67%	0.671	58%	0.583	S	S	*	*	H	α-helix	trans	-75.2	-18.4	173.7	-167.4	0	0	0	0	113.8	T344 S345 L346	T344-S348 WeakPolarHBondContact O-CB 3.35Å; T344-S348 PolarHBondContact O-N 3.48Å; S345-S348 PolarHBondContact O-N 3.16Å; L346-S348 VanDerWaalsContact C-N 3.26Å; L346-S348 PolarHBondContact O-N 2.81Å
349	E	44.3	Very low	50	Low	145 Å²	145	110.4 Å²	110.4	68%	0.678	59%	0.59	S	S	*	*	H	α-helix	trans	-93.5	-31.8	178.4	-74.8	174.1	164.9	0	0	112.3	S345 L346 I347 R351	S345-E349 WeakPolarHBondContact O-CG 3.38Å; S345-E349 PolarHBondContact O-N 3.31Å; S345-E349 VanDerWaalsContact O-N 3.1Å; L346-E349 PolarHBondContact O-N 2.92Å; I347-E349 VanDerWaalsContact C-N 3.32Å; E349-R351 PolarHBondContact O-N 2.84Å
350	N	40.4	Very low	47.6	Very low	139 Å²	139	115 Å²	115	74%	0.743	61%	0.611	S	S	*	*			trans	-90.8	37.7	-167.9	-124.3	29.8	0	0	0	115.7	L346 N352	L346-N350 WeakPolarHBondContact O-CB 3.01Å; L346-N350 PolarHBondContact O-N 2.79Å; N350-N352 PolarHBondContact O-N 3.31Å
351	R	40.4	Very low	45.2	Very low	204 Å²	204	120.3 Å²	120.3	77%	0.77	64%	0.638	S	S	*	*			trans	-78.8	6.1	177.4	-96	-172.9	172.6	-172.2	-2.8	115.4	E349	E349-R351 PolarHBondContact O-N 2.84Å
352	N	34.2	Very low	42.9	Very low	130 Å²	130	122.6 Å²	122.6	70%	0.695	65%	0.652	S	S	*	*	S	Bend	trans	-126.1	141.7	177.9	-67.6	-31.1	0	0	0	111	N350	N350-N352 PolarHBondContact O-N 3.31Å
353	H	38	Very low	40.6	Very low	193 Å²	193	126.9 Å²	126.9	89%	0.894	67%	0.67	S	S	*	*			trans	81.9	122	175.4	-71.4	-78.1	0	0	0	119.4
354	D	30.4	Very low	38.7	Very low	150 Å²	150	132.6 Å²	132.6	80%	0.802	70%	0.7	S	S	*	*			trans	-63.6	157.1	165.7	-62.3	-71.8	0	0	0	113.1
355	S	31.9	Very low	37	Very low	107 Å²	107	137.2 Å²	137.2	75%	0.748	73%	0.73	S	S	*	*			trans	64.1	107.2	164.7	68.1	0	0	0	0	117.5
356	L	33.4	Very low	35.4	Very low	161 Å²	161	139 Å²	139	84%	0.843	75%	0.749	S	S	*	*				175.2	158.1	107	-88.1	169.2	0	0	0	110.8
357	P	30.5	Very low	34.3	Very low	114 Å²	114	143.9 Å²	143.9	74%	0.74	77%	0.766	S	S	*	*			trans	-85.6	150.8	-167.4	33.8	-35.5	0	0	0	114.5
358	W	26.5	Very low	33.1	Very low	220 Å²	220	148.7 Å²	148.7	83%	0.833	79%	0.787	S	S	*	*			trans	-60.8	151.7	163.8	-75.5	43.8	0	0	0	109.9	L343	L343-W358 HydrophobicContact CD2-CH2 4.06Å
359	P	36.5	Very low	32.2	Very low	110 Å²	110	150.9 Å²	150.9	71%	0.714	80%	0.796	S	S	*	*				-157.6	-178.4	68.5	41.5	-19	0	0	0	119
360	L	31.5	Very low	31.4	Very low	163 Å²	163	148.5 Å²	148.5	85%	0.853	80%	0.796	S	S	*	*			trans	84.1	116.8	159.7	-54.6	175.9	0	0	0	120.2
361	I	31.2	Very low	30.8	Very low	151 Å²	151	150 Å²	150	77%	0.774	80%	0.798	S	S	*	*			trans	-89	146.6	159.7	-42.3	167.4	0	0	0	107.2
362	P	30.6	Very low	30.3	Very low	104 Å²	104	147.3 Å²	147.3	68%	0.675	80%	0.798	S	S	*	*				-152.7	155.2	101.6	36	-17.1	0	0	0	117.3
363	N	28.3	Very low	30	Very low	148 Å²	148	146.7 Å²	146.7	79%	0.791	80%	0.799	S	S	*	*			trans	61.9	120.4	151.7	-62.2	-17.6	0	0	0	121.4
364	L	29.9	Very low	29.3	Very low	175 Å²	175	141.1 Å²	141.1	92%	0.916	79%	0.794	S	S	*	*				-150.6	154.1	128.2	-126.2	87.2	0	0	0	109.3
365	P	28.4	Very low	29.5	Very low	121 Å²	121	142 Å²	142	79%	0.786	79%	0.793	S	S	*	*			trans	-94.7	169	-157.3	37.5	-37.5	0	0	0	115.8
366	A	26.2	Very low	29.5	Very low	101 Å²	101	141.8 Å²	141.8	84%	0.835	79%	0.792	S	S	*	*			trans	-67.5	139.3	-176	0	0	0	0	0	115.3
367	K	29.1	Very low	30	Very low	201 Å²	201	139 Å²	139	87%	0.874	78%	0.781	S	S	*	*			trans	-152.5	161.5	147.9	-114.2	174.2	-178.9	179.8	0	109.4
368	E	29	Very low	31	Very low	190 Å²	190	137.1 Å²	137.1	89%	0.888	77%	0.769	S	S	*	*			trans	74.4	58.2	177.7	-57	-175.1	178.3	0	0	116.6
369	T	26.2	Very low	32.9	Very low	142 Å²	142	133.7 Å²	133.7	87%	0.871	76%	0.76	S	S	*	*			trans	-74.3	115.1	151.7	47.1	0	0	0	0	111.3
370	S	26.1	Very low	35.2	Very low	95 Å²	95	128.8 Å²	128.8	66%	0.664	73%	0.728	S	S	*	*			trans	-165.4	131	150.7	54.5	0	0	0	0	113.5
371	H	28.6	Very low	38	Very low	170 Å²	170	122.4 Å²	122.4	79%	0.787	70%	0.697	S	S	*	*			trans	88.3	136.8	164.8	-55	-69.7	0	0	0	120.9
372	L	29.4	Very low	40.9	Very low	147 Å²	147	115.2 Å²	115.2	77%	0.77	66%	0.66	S	S	*	*			trans	79.6	84.1	163.6	-57.3	150.9	0	0	0	116
373	T	27.4	Very low	43.8	Very low	117 Å²	117	110.3 Å²	110.3	72%	0.718	63%	0.628	S	S	*	*				40.1	108.7	76.2	72.2	0	0	0	0	113.7
374	G	24.7	Very low	46.8	Very low	77 Å²	77	106 Å²	106	79%	0.794	60%	0.602	S	S	*	*			trans	-79.6	148.4	-165.7	0	0	0	0	0	115.6
375	H	34.1	Very low	49.9	Very low	168 Å²	168	97.7 Å²	97.7	78%	0.778	56%	0.559	S	S	*	*			trans	-135.2	155.9	175.5	-73.7	-11.9	0	0	0	111.3
376	S	31.1	Very low	52.9	Low	103 Å²	103	93.4 Å²	93.4	72%	0.72	53%	0.531	S	S	*	.			trans	-54	157.9	163.8	49.9	0	0	0	0	110.7	P378	S376-P378 WeakPolarHBondContact O-CD 3.42Å
377	V	44.6	Very low	55.9	Low	103 Å²	103	91.4 Å²	91.4	62%	0.624	51%	0.507	S	S	*	.			trans	-55.1	111.5	175.2	-172.6	0	0	0	0	107.9	F379	V377-F379 PolarHBondContact O-N 2.82Å
378	P	50.9	Low	58.8	Low	74 Å²	74	82 Å²	82	48%	0.481	47%	0.466	S	S	.	.			trans	-73.3	128.7	-170.7	27.4	-32	0	0	0	109.2	S376 S380	S376-P378 WeakPolarHBondContact O-CD 3.42Å; P378-S380 PolarHBondContact O-N 3.43Å
379	F	68	Low	61.6	Low	148 Å²	148	74.1 Å²	74.1	65%	0.649	43%	0.43	S	S	*	.			trans	-65.9	84.2	169.2	-81.7	-88.3	0	0	0	109.2	V377 A428 L432	V377-F379 PolarHBondContact O-N 2.82Å; F379-A428 HydrophobicContact CB-CB 3.92Å; F379-A428 HydrophobicContact CD1-CB 4.41Å; F379-L432 HydrophobicContact CE1-CD2 4.46Å
380	S	84	Confident	64.6	Low	6 Å²	6	71 Å²	71	4%	0.042	41%	0.41	C	S	.	.			trans	-88	132.9	179.7	-176.9	0	0	0	0	111	P378 V382 A431 S453 N455	P378-S380 PolarHBondContact O-N 3.43Å; S380-V382 PolarHBondContact O-N 3.37Å; S380-V382 PolarHBondContact OG-N 2.91Å; S380-V382 VanDerWaalsContact OG-N 3.16Å; S380-V382 PolarHBondContact OG-O 3.32Å; S380-A431 WeakPolarHBondContact O-CB 3.35Å; S380-S453 WeakPolarHBondContact CB-O 3.21Å; S380-S453 PolarHBondContact OG-O 2.97Å; S380-N455 PolarHBondContact OG-O 2.85Å
381	P	90.3	Very high	67.4	Low	30 Å²	30	74.5 Å²	74.5	20%	0.195	42%	0.416	C	S	.	.	S	Bend	trans	-76.8	3.5	169.6	35.2	-36	0	0	0	112.6	F425 P456	P381-F425 PolarHBondContact O-N 2.75Å; P381-P456 VanDerWaalsContact CG-O 3.26Å; P381-P456 WeakPolarHBondContact CG-O 3.35Å
382	V	91.3	Very high	70.2	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	121.4	-179.6	-174.2	0	0	0	0	110.5	S380 L422 V423 Q424 S453 N455 V458	S380-V382 PolarHBondContact O-N 3.37Å; S380-V382 PolarHBondContact OG-N 2.91Å; S380-V382 VanDerWaalsContact OG-N 3.16Å; S380-V382 PolarHBondContact OG-O 3.32Å; V382-L422 HydrophobicContact CG1-CB 4.03Å; V382-L422 HydrophobicContact CG1-CD2 3.81Å; V382-L422 HydrophobicContact CG1-CG 4.48Å; V382-V423 CarbonylContact C-O 3.57Å; V382-V423 WeakPolarHBondContact CA-O 3.42Å; V382-Q424 HydrophobicContact CG2-CB 4.13Å; V382-Q424 HydrophobicContact CG2-CG 4.13Å; V382-S453 WeakPolarHBondContact O-CB 3.45Å; V382-S453 PolarHBondContact O-N 3.31Å; V382-N455 WeakPolarHBondContact CB-O 3.37Å; V382-N455 WeakPolarHBondContact CG2-O 3.25Å; V382-V458 HydrophobicContact CG1-CG2 3.81Å; V382-V458 HydrophobicContact CG2-CG2 4.28Å
383	A	92.5	Very high	73	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	137.6	166.1	0	0	0	0	0	110.1	F402 L422 V423 F425 V435	A383-F402 HydrophobicContact CB-CE1 4.29Å; A383-L422 CarbonylContact O-C 3.51Å; A383-L422 WeakPolarHBondContact O-CA 3.49Å; A383-V423 HydrophobicContact CB-CB 4.48Å; A383-V423 PolarHBondContact N-O 3.15Å; A383-V423 PolarHBondContact O-N 3.42Å; A383-F425 HydrophobicContact CB-CE2 4.43Å; A383-V435 HydrophobicContact CB-CG2 3.77Å
384	F	91.8	Very high	75.9	Confident	59 Å²	59	64.7 Å²	64.7	26%	0.259	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	130.5	164.8	175.4	-101.5	0	0	0	108.8	T420 L422 C450 V451	F384-T420 HydrophobicContact CE2-CG2 4.35Å; F384-T420 HydrophobicContact CZ-CG2 3.84Å; F384-L422 HydrophobicContact CB-CD2 4.06Å; F384-L422 HydrophobicContact CD2-CD2 3.87Å; F384-L422 HydrophobicContact CD2-CG 4.47Å; F384-L422 HydrophobicContact CG-CD2 4.48Å; F384-C450 WeakPolarHBondContact O-CA 3.45Å; F384-V451 HydrophobicContact CB-CG2 4.09Å; F384-V451 HydrophobicContact CD1-CG2 3.84Å; F384-V451 HydrophobicContact CG-CG2 4.46Å; F384-V451 PolarHBondContact N-O 2.85Å; F384-V451 PolarHBondContact O-N 3.36Å
385	V	93.2	Very high	79	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	133.4	-177.7	-164.7	0	0	0	0	108.4	L388 F402 T420 A421 V423 I448 H449	V385-L388 HydrophobicContact CG1-CD2 3.72Å; V385-L388 HydrophobicContact CG1-CG 4.31Å; V385-F402 HydrophobicContact CB-CZ 4.47Å; V385-F402 HydrophobicContact CG1-CZ 4.21Å; V385-F402 HydrophobicContact CG2-CE1 3.9Å; V385-F402 HydrophobicContact CG2-CE2 4.11Å; V385-F402 HydrophobicContact CG2-CZ 3.39Å; V385-T420 CarbonylContact O-C 3.56Å; V385-T420 WeakPolarHBondContact O-CA 3.33Å; V385-T420 WeakPolarHBondContact O-CB 3.32Å; V385-A421 PolarHBondContact N-O 3.43Å; V385-A421 PolarHBondContact O-N 2.97Å; V385-V423 HydrophobicContact CG2-CG2 4.09Å; V385-I448 HydrophobicContact CG1-CB 4.34Å; V385-I448 HydrophobicContact CG1-CD1 4.46Å; V385-H449 CarbonylContact C-O 3Å; V385-H449 VanDerWaalsContact CA-O 3.31Å; V385-H449 WeakPolarHBondContact CA-O 3.33Å
386	S	91.3	Very high	81.7	Confident	30 Å²	30	55.8 Å²	55.8	21%	0.21	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	170.6	177.5	66.1	0	0	0	0	112.6	L388 S419 H449	S386-L388 VanDerWaalsContact C-N 3.34Å; S386-S419 CarbonylContact C-O 3.37Å; S386-H449 PolarHBondContact N-O 3.41Å; S386-H449 PolarHBondContact O-N 3.11Å
387	N	90	Very high	84.5	Confident	60 Å²	60	51.4 Å²	51.4	32%	0.321	27%	0.27	S	S	.	.	S	Bend	trans	61.8	33.6	-174	-160.4	30	0	0	0	114.7	S419 K446 I447	N387-S419 PolarHBondContact N-O 2.75Å; N387-K446 WeakPolarHBondContact O-CB 3.49Å; N387-K446 VanDerWaalsContact O-CD 3.25Å; N387-K446 WeakPolarHBondContact O-CD 3.19Å; N387-I447 WeakPolarHBondContact CB-O 3.21Å; N387-I447 PolarHBondContact ND2-O 2.95Å
388	L	90.6	Very high	86.9	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.01	24%	0.24	C	C	.	.			trans	-68.3	151.2	175.2	-59.7	176.3	0	0	0	112.2	V385 S386 T390 V393 L398 S419 A421 K446 I448	V385-L388 HydrophobicContact CG1-CD2 3.72Å; V385-L388 HydrophobicContact CG1-CG 4.31Å; S386-L388 VanDerWaalsContact C-N 3.34Å; L388-T390 PolarHBondContact O-N 3.38Å; L388-V393 HydrophobicContact CB-CB 4.5Å; L388-V393 HydrophobicContact CB-CG2 4.44Å; L388-V393 HydrophobicContact CD1-CG1 4.25Å; L388-V393 HydrophobicContact CD2-CG1 4.29Å; L388-L398 HydrophobicContact CD1-CD1 4.08Å; L388-L398 HydrophobicContact CD1-CD2 4.46Å; L388-L398 HydrophobicContact CD2-CD2 4.12Å; L388-S419 PolarHBondContact N-O 2.6Å; L388-A421 HydrophobicContact CD1-CB 3.7Å; L388-K446 PolarHBondContact O-NZ 3.36Å; L388-I448 HydrophobicContact CD2-CB 4.47Å; L388-I448 HydrophobicContact CD2-CG2 3.85Å
389	N	88.3	Confident	88.9	Confident	26 Å²	26	43.4 Å²	43.4	14%	0.139	22%	0.219	C	C	.	.			trans	-78.8	114.3	166.7	-177.6	-35.2	0	0	0	109	E391 K392 V393 Y444 K446	N389-E391 VanDerWaalsContact C-N 3.25Å; N389-E391 PolarHBondContact O-N 3.1Å; N389-E391 PolarHBondContact OD1-N 3.36Å; N389-K392 PolarHBondContact OD1-N 2.93Å; N389-V393 HydrophobicContact CB-CG2 4.25Å; N389-V393 VanDerWaalsContact O-CB 3.26Å; N389-V393 WeakPolarHBondContact O-CB 3.42Å; N389-V393 WeakPolarHBondContact O-CG2 3.2Å; N389-V393 PolarHBondContact O-N 3.48Å; N389-Y444 PolarHBondContact ND2-O 2.96Å; N389-K446 HydrophobicContact CB-CD 4.41Å
390	T	87.4	Confident	90.1	Very high	75 Å²	75	37.6 Å²	37.6	46%	0.46	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-12.2	-173	44.9	0	0	0	0	115.1	L388 R418	L388-T390 PolarHBondContact O-N 3.38Å; T390-R418 HydrophobicContact CG2-CB 3.71Å
391	E	86	Confident	90.6	Very high	169 Å²	169	37.3 Å²	37.3	79%	0.79	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-33.3	-177.9	-61.9	174.5	-179.6	0	0	112	N389	N389-E391 VanDerWaalsContact C-N 3.25Å; N389-E391 PolarHBondContact O-N 3.1Å; N389-E391 PolarHBondContact OD1-N 3.36Å
392	K	86.5	Confident	90.7	Very high	125 Å²	125	35.9 Å²	35.9	54%	0.543	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-20.1	-175.1	-66.6	-172.9	173.1	-173.2	0	114.9	N389 Y444	N389-K392 PolarHBondContact OD1-N 2.93Å; K392-Y444 HydrophobicContact CB-CD1 4.49Å; K392-Y444 HydrophobicContact CB-CD2 3.39Å; K392-Y444 HydrophobicContact CB-CE2 3.83Å; K392-Y444 HydrophobicContact CB-CG 3.77Å; K392-Y444 HydrophobicContact CD-CD1 4.07Å; K392-Y444 HydrophobicContact CD-CD2 4.41Å; K392-Y444 HydrophobicContact CD-CG 3.91Å; K392-Y444 HydrophobicContact CG-CG 4.49Å
393	V	88.5	Confident	90.8	Very high	8 Å²	8	36.4 Å²	36.4	5%	0.048	19%	0.188	C	C	.	.			trans	-93	113.3	-177.8	-177.5	0	0	0	0	111.5	L388 N389 T397 L398 L443 Y444	L388-V393 HydrophobicContact CB-CB 4.5Å; L388-V393 HydrophobicContact CB-CG2 4.44Å; L388-V393 HydrophobicContact CD1-CG1 4.25Å; L388-V393 HydrophobicContact CD2-CG1 4.29Å; N389-V393 HydrophobicContact CB-CG2 4.25Å; N389-V393 VanDerWaalsContact O-CB 3.26Å; N389-V393 WeakPolarHBondContact O-CB 3.42Å; N389-V393 WeakPolarHBondContact O-CG2 3.2Å; N389-V393 PolarHBondContact O-N 3.48Å; V393-T397 HydrophobicContact CG1-CG2 4.32Å; V393-L398 HydrophobicContact CG1-CD1 4.16Å; V393-L398 HydrophobicContact CG1-CD2 3.9Å; V393-L398 HydrophobicContact CG1-CG 3.75Å; V393-L443 HydrophobicContact CG2-CD2 3.88Å; V393-L443 HydrophobicContact CG2-CG 4.36Å; V393-Y444 HydrophobicContact CG2-CD2 3.86Å; V393-Y444 HydrophobicContact CG2-CE2 4.3Å
394	N	89.1	Confident	90.7	Very high	95 Å²	95	36.9 Å²	36.9	51%	0.508	19%	0.191	S	C	.	.			trans	-104.8	167.2	172.3	-68.3	-46.4	0	0	0	111	D396 T397 L398	N394-D396 PolarHBondContact O-N 3.45Å; N394-T397 PolarHBondContact N-OG1 3Å; N394-T397 WeakPolarHBondContact O-CB 3.2Å; N394-T397 PolarHBondContact O-N 3Å; N394-T397 VanDerWaalsContact O-N 3.09Å; N394-T397 PolarHBondContact O-OG1 3.41Å; N394-L398 PolarHBondContact O-N 3.21Å
395	P	89.5	Confident	90.7	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.013	18%	0.179	C	C	.	.	H	α-helix	trans	-58.9	-33.8	174.5	-25.1	35.6	0	0	0	112.8	L398 F399 V411 I413 K477 C480 Y482	P395-L398 PolarHBondContact O-N 2.88Å; P395-F399 WeakPolarHBondContact O-CB 3.5Å; P395-F399 PolarHBondContact O-N 3.19Å; P395-V411 HydrophobicContact CB-CB 4.1Å; P395-V411 HydrophobicContact CB-CG1 3.89Å; P395-I413 HydrophobicContact CG-CD1 3.99Å; P395-I413 HydrophobicContact CG-CG1 4.32Å; P395-K477 WeakPolarHBondContact CD-O 3.45Å; P395-K477 WeakPolarHBondContact CG-O 3.41Å; P395-C480 HydrophobicContact CB-CB 4.1Å; P395-Y482 VanDerWaalsContact C-OH 3.29Å; P395-Y482 PolarHBondContact O-OH 3.45Å
396	D	89.7	Confident	90.5	Very high	56 Å²	56	34.1 Å²	34.1	30%	0.299	18%	0.179	S	C	.	.	H	α-helix	trans	-65.2	-37.4	176.4	-63.9	-42.4	0	0	0	111.6	N394 F399 I400 K477 Y482	N394-D396 PolarHBondContact O-N 3.45Å; D396-F399 PolarHBondContact O-N 3.47Å; D396-I400 WeakPolarHBondContact O-CG1 3.37Å; D396-I400 PolarHBondContact O-N 2.87Å; D396-K477 IonicContact OD1-NZ 3.87Å; D396-K477 IonicContact OD2-NZ 2.77Å; D396-K477 PolarHBondContact OD2-NZ 3.48Å; D396-Y482 WeakPolarHBondContact CA-OH 3.42Å; D396-Y482 PolarHBondContact N-OH 3.02Å; D396-Y482 WeakPolarHBondContact OD1-CE1 3.37Å; D396-Y482 PolarHBondContact OD1-OH 2.97Å
397	T	92	Very high	90.5	Very high	12 Å²	12	33 Å²	33	7%	0.074	17%	0.171	C	C	.	.	H	α-helix	trans	-57.5	-50.2	172	-48	0	0	0	0	111.2	V393 N394 I400 L401 Y444 I562	V393-T397 HydrophobicContact CG1-CG2 4.32Å; N394-T397 PolarHBondContact N-OG1 3Å; N394-T397 WeakPolarHBondContact O-CB 3.2Å; N394-T397 PolarHBondContact O-N 3Å; N394-T397 VanDerWaalsContact O-N 3.09Å; N394-T397 PolarHBondContact O-OG1 3.41Å; T397-I400 PolarHBondContact O-N 3.46Å; T397-L401 WeakPolarHBondContact O-CB 3.4Å; T397-L401 PolarHBondContact O-N 2.81Å; T397-L401 VanDerWaalsContact O-N 3.09Å; T397-Y444 HydrophobicContact CG2-CE2 3.91Å; T397-I562 HydrophobicContact CG2-CD1 3.92Å; T397-I562 HydrophobicContact CG2-CG2 3.99Å
398	L	93.2	Very high	90.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-68.4	-40.1	179.9	-65.8	174	0	0	0	111.3	L388 V393 N394 P395 I400 L401 F402 V411 I413 A421 V423	L388-L398 HydrophobicContact CD1-CD1 4.08Å; L388-L398 HydrophobicContact CD1-CD2 4.46Å; L388-L398 HydrophobicContact CD2-CD2 4.12Å; V393-L398 HydrophobicContact CG1-CD1 4.16Å; V393-L398 HydrophobicContact CG1-CD2 3.9Å; V393-L398 HydrophobicContact CG1-CG 3.75Å; N394-L398 PolarHBondContact O-N 3.21Å; P395-L398 PolarHBondContact O-N 2.88Å; L398-I400 VanDerWaalsContact C-N 3.34Å; L398-I400 PolarHBondContact O-N 2.96Å; L398-L401 PolarHBondContact O-N 3.01Å; L398-F402 HydrophobicContact CB-CD2 4.46Å; L398-F402 HydrophobicContact CD2-CD2 4.34Å; L398-F402 HydrophobicContact CD2-CE2 3.92Å; L398-F402 VanDerWaalsContact O-CB 3.3Å; L398-F402 WeakPolarHBondContact O-CB 3.38Å; L398-F402 WeakPolarHBondContact O-CD2 3.43Å; L398-F402 PolarHBondContact O-N 3.01Å; L398-V411 HydrophobicContact CB-CG1 3.95Å; L398-V411 HydrophobicContact CB-CG2 4.49Å; L398-V411 HydrophobicContact CD1-CG1 3.75Å; L398-V411 HydrophobicContact CG-CG1 4.49Å; L398-I413 HydrophobicContact CD1-CG1 4.28Å; L398-A421 HydrophobicContact CD1-CB 3.54Å; L398-V423 HydrophobicContact CB-CG2 4.49Å
399	F	93.7	Very high	90.6	Very high	8 Å²	8	32.2 Å²	32.2	4%	0.035	17%	0.165	C	C	.	.	H	α-helix	trans	-57.4	-45.4	175.6	168.8	-99.2	0	0	0	111.9	P395 D396 G403 V408 V411 Y482 H485 L487 H488	P395-F399 WeakPolarHBondContact O-CB 3.5Å; P395-F399 PolarHBondContact O-N 3.19Å; D396-F399 PolarHBondContact O-N 3.47Å; F399-G403 VanDerWaalsContact O-CA 3.26Å; F399-G403 WeakPolarHBondContact O-CA 3.39Å; F399-G403 PolarHBondContact O-N 3.26Å; F399-V408 HydrophobicContact CD2-CB 3.84Å; F399-V408 HydrophobicContact CD2-CG1 4.03Å; F399-V408 HydrophobicContact CE2-CB 4.19Å; F399-V411 HydrophobicContact CB-CG2 4.29Å; F399-Y482 HydrophobicContact CB-CD1 4.31Å; F399-Y482 HydrophobicContact CB-CD2 4.15Å; F399-Y482 HydrophobicContact CB-CE1 3.96Å; F399-Y482 HydrophobicContact CB-CE2 3.77Å; F399-Y482 HydrophobicContact CB-CG 4.4Å; F399-Y482 HydrophobicContact CD1-CD1 4.01Å; F399-Y482 HydrophobicContact CD1-CE1 4.01Å; F399-Y482 AromaticContact CD2-CD1 3.54Å; F399-Y482 HydrophobicContact CD2-CD1 3.54Å; F399-Y482 AromaticContact CD2-CD2 3.63Å; F399-Y482 HydrophobicContact CD2-CD2 3.63Å; F399-Y482 HydrophobicContact CD2-CE1 4.07Å; F399-Y482 HydrophobicContact CD2-CE2 4.14Å; F399-Y482 AromaticContact CD2-CG 3.3Å; F399-Y482 HydrophobicContact CD2-CG 3.3Å; F399-Y482 HydrophobicContact CE1-CD1 4.3Å; F399-Y482 AromaticContact CE2-CD1 3.86Å; F399-Y482 HydrophobicContact CE2-CD1 3.86Å; F399-Y482 HydrophobicContact CE2-CD2 4.43Å; F399-Y482 AromaticContact CE2-CG 3.7Å; F399-Y482 HydrophobicContact CE2-CG 3.7Å; F399-Y482 AromaticContact CG-CD1 3.65Å; F399-Y482 HydrophobicContact CG-CD1 3.65Å; F399-Y482 HydrophobicContact CG-CD2 4.05Å; F399-Y482 AromaticContact CG-CE1 3.7Å; F399-Y482 HydrophobicContact CG-CE1 3.7Å; F399-Y482 HydrophobicContact CG-CE2 4.1Å; F399-Y482 AromaticContact CG-CG 3.83Å; F399-Y482 HydrophobicContact CG-CG 3.83Å; F399-Y482 AromaticContact CG-CZ 3.94Å; F399-Y482 HydrophobicContact CZ-CD1 4.25Å; F399-H485 AromaticContact CE1-CE1 3.85Å; F399-H485 AromaticContact CE1-ND1 3.34Å; F399-H485 VanDerWaalsContact CE1-ND1 3.34Å; F399-H485 WeakPolarHBondContact CE1-ND1 3.34Å; F399-H485 HydrophobicContact CE2-CB 4.39Å; F399-H485 HydrophobicContact CZ-CB 4.09Å; F399-H485 AromaticContact CZ-CG 3.93Å; F399-H485 AromaticContact CZ-ND1 3.21Å; F399-H485 WeakPolarHBondContact CZ-ND1 3.41Å; F399-L487 HydrophobicContact CE1-CB 3.95Å; F399-L487 HydrophobicContact CE1-CD1 4.21Å; F399-L487 HydrophobicContact CZ-CB 4.09Å; F399-H488 AromaticContact CE2-CD2 3.96Å; F399-H488 AromaticContact CE2-NE2 3.91Å
400	I	92.7	Very high	90.6	Very high	27 Å²	27	33.9 Å²	33.9	14%	0.138	17%	0.169	C	C	.	.	H	α-helix	trans	-66.8	-50	178.3	-68.8	169.5	0	0	0	111.1	D396 T397 L398 G403 L561 I562 H565	D396-I400 WeakPolarHBondContact O-CG1 3.37Å; D396-I400 PolarHBondContact O-N 2.87Å; T397-I400 PolarHBondContact O-N 3.46Å; L398-I400 VanDerWaalsContact C-N 3.34Å; L398-I400 PolarHBondContact O-N 2.96Å; I400-G403 PolarHBondContact O-N 3.09Å; I400-L561 HydrophobicContact CG2-CD2 4.18Å; I400-I562 HydrophobicContact CG2-CG1 4.5Å; I400-H565 HydrophobicContact CG2-CB 3.91Å
401	L	94	Very high	90.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.5	-49.5	-176.1	178.4	60.7	0	0	0	112.5	T397 L398 G403 V404 L438 I441 L443 I448 V558 I562	T397-L401 WeakPolarHBondContact O-CB 3.4Å; T397-L401 PolarHBondContact O-N 2.81Å; T397-L401 VanDerWaalsContact O-N 3.09Å; L398-L401 PolarHBondContact O-N 3.01Å; L401-G403 VanDerWaalsContact C-N 3.29Å; L401-G403 PolarHBondContact O-N 2.9Å; L401-V404 PolarHBondContact O-N 3.24Å; L401-L438 HydrophobicContact CD1-CD2 3.92Å; L401-L438 HydrophobicContact CG-CD1 4.32Å; L401-L438 HydrophobicContact CG-CD2 4.12Å; L401-I441 HydrophobicContact CD1-CD1 4.33Å; L401-I441 HydrophobicContact CD2-CD1 4.29Å; L401-L443 HydrophobicContact CD2-CD2 4.13Å; L401-I448 HydrophobicContact CD2-CD1 4.29Å; L401-V558 HydrophobicContact CD1-CG1 4.17Å; L401-I562 HydrophobicContact CB-CD1 4.39Å; L401-I562 HydrophobicContact CB-CG1 4.34Å
402	F	94.1	Very high	91	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-73	-25.9	177.4	-75.3	-107.4	0	0	0	111.5	A383 V385 L398 V404 Y405 G406 V408 V423 F425 A434 L438	A383-F402 HydrophobicContact CB-CE1 4.29Å; V385-F402 HydrophobicContact CB-CZ 4.47Å; V385-F402 HydrophobicContact CG1-CZ 4.21Å; V385-F402 HydrophobicContact CG2-CE1 3.9Å; V385-F402 HydrophobicContact CG2-CE2 4.11Å; V385-F402 HydrophobicContact CG2-CZ 3.39Å; L398-F402 HydrophobicContact CB-CD2 4.46Å; L398-F402 HydrophobicContact CD2-CD2 4.34Å; L398-F402 HydrophobicContact CD2-CE2 3.92Å; L398-F402 VanDerWaalsContact O-CB 3.3Å; L398-F402 WeakPolarHBondContact O-CB 3.38Å; L398-F402 WeakPolarHBondContact O-CD2 3.43Å; L398-F402 PolarHBondContact O-N 3.01Å; F402-V404 PolarHBondContact O-N 3.23Å; F402-V404 VanDerWaalsContact O-N 3.14Å; F402-Y405 PolarHBondContact O-N 2.98Å; F402-G406 PolarHBondContact O-N 3.45Å; F402-V408 HydrophobicContact CB-CG2 3.77Å; F402-V423 HydrophobicContact CB-CG1 3.98Å; F402-V423 HydrophobicContact CD1-CB 4.28Å; F402-V423 HydrophobicContact CD1-CG1 4Å; F402-V423 HydrophobicContact CD1-CG2 4.35Å; F402-V423 HydrophobicContact CD2-CG2 4.45Å; F402-V423 HydrophobicContact CE1-CG2 4.49Å; F402-V423 HydrophobicContact CG-CG1 4.02Å; F402-V423 HydrophobicContact CG-CG2 4.35Å; F402-F425 HydrophobicContact CB-CE1 4.45Å; F402-F425 HydrophobicContact CB-CZ 3.79Å; F402-F425 AromaticContact CD1-CE2 3.94Å; F402-F425 HydrophobicContact CD1-CE2 3.94Å; F402-F425 AromaticContact CD1-CZ 3.79Å; F402-F425 HydrophobicContact CD1-CZ 3.79Å; F402-F425 HydrophobicContact CG-CZ 4.3Å; F402-A434 HydrophobicContact CD1-CB 3.99Å; F402-A434 HydrophobicContact CE1-CB 4.44Å; F402-L438 HydrophobicContact CD1-CD1 3.73Å; F402-L438 HydrophobicContact CD2-CD1 3.87Å; F402-L438 HydrophobicContact CE1-CD1 3.72Å; F402-L438 HydrophobicContact CE2-CD1 3.85Å; F402-L438 HydrophobicContact CG-CD1 3.8Å; F402-L438 HydrophobicContact CZ-CD1 3.76Å
403	G	91.9	Very high	91.2	Very high	10 Å²	10	19.6 Å²	19.6	10%	0.103	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-16.1	173.7	0	0	0	0	0	115.3	F399 I400 L401 Y405 G406 R489	F399-G403 VanDerWaalsContact O-CA 3.26Å; F399-G403 WeakPolarHBondContact O-CA 3.39Å; F399-G403 PolarHBondContact O-N 3.26Å; I400-G403 PolarHBondContact O-N 3.09Å; L401-G403 VanDerWaalsContact C-N 3.29Å; L401-G403 PolarHBondContact O-N 2.9Å; G403-Y405 VanDerWaalsContact C-N 3.3Å; G403-G406 WeakPolarHBondContact CA-O 3.14Å; G403-R489 WeakPolarHBondContact O-CD 3.13Å
404	V	91.3	Very high	91	Very high	11 Å²	11	21.6 Å²	21.6	7%	0.067	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-24	171.9	-175.4	0	0	0	0	111.9	L401 F402 F490 L561 F579	L401-V404 PolarHBondContact O-N 3.24Å; F402-V404 PolarHBondContact O-N 3.23Å; F402-V404 VanDerWaalsContact O-N 3.14Å; V404-F490 WeakPolarHBondContact O-CZ 3.38Å; V404-L561 HydrophobicContact CG2-CD1 4.09Å; V404-L561 HydrophobicContact CG2-CD2 3.82Å; V404-F579 HydrophobicContact CG1-CD2 4.12Å
405	Y	91.3	Very high	90.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-18.1	-171.5	-65.6	-78.8	0	0	0	114.3	F402 G403 R433 A434 F437 L438 I501 C502 P504 F579	F402-Y405 PolarHBondContact O-N 2.98Å; G403-Y405 VanDerWaalsContact C-N 3.3Å; Y405-R433 PolarHBondContact O-NH2 3.14Å; Y405-A434 HydrophobicContact CG-CB 4.34Å; Y405-F437 HydrophobicContact CD1-CB 4.06Å; Y405-F437 AromaticContact CD1-CD2 3.6Å; Y405-F437 HydrophobicContact CD1-CD2 3.6Å; Y405-F437 HydrophobicContact CD1-CE2 4.49Å; Y405-F437 HydrophobicContact CD1-CG 4.24Å; Y405-F437 HydrophobicContact CE1-CB 3.47Å; Y405-F437 VanDerWaalsContact CE1-CB 3.47Å; Y405-F437 AromaticContact CE1-CD2 3.43Å; Y405-F437 HydrophobicContact CE1-CD2 3.43Å; Y405-F437 VanDerWaalsContact CE1-CD2 3.43Å; Y405-F437 HydrophobicContact CE1-CE2 4.35Å; Y405-F437 AromaticContact CE1-CG 3.69Å; Y405-F437 HydrophobicContact CE1-CG 3.69Å; Y405-L438 HydrophobicContact CD2-CD1 3.85Å; Y405-L438 HydrophobicContact CD2-CD2 4.3Å; Y405-L438 HydrophobicContact CD2-CG 4.03Å; Y405-L438 HydrophobicContact CE2-CD1 4.08Å; Y405-L438 HydrophobicContact CE2-CD2 3.68Å; Y405-L438 HydrophobicContact CE2-CG 3.84Å; Y405-I501 HydrophobicContact CD1-CG2 3.62Å; Y405-I501 HydrophobicContact CE1-CG2 3.84Å; Y405-C502 WeakPolarHBondContact CE1-O 3.34Å; Y405-C502 PolarHBondContact OH-O 2.55Å; Y405-P504 VanDerWaalsContact OH-CD 3.32Å; Y405-P504 WeakPolarHBondContact OH-CD 3.46Å; Y405-P504 WeakPolarHBondContact OH-CG 3.34Å; Y405-F579 HydrophobicContact CE2-CE2 4.33Å; Y405-F579 WeakPolarHBondContact OH-CD2 3.45Å
406	G	89.9	Confident	89.9	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	-174.8	172.5	177.1	0	0	0	0	0	112	F402 G403 V408 Q430 F490	F402-G406 PolarHBondContact O-N 3.45Å; G403-G406 WeakPolarHBondContact CA-O 3.14Å; G406-V408 PolarHBondContact O-N 3.42Å; G406-Q430 VanDerWaalsContact CA-OE1 3.26Å; G406-F490 VanDerWaalsContact CA-CD2 3.47Å
407	D	90.9	Very high	89.6	Confident	8 Å²	8	34.3 Å²	34.3	4%	0.043	17%	0.166	C	C	.	.			trans	-82.3	107.4	174.4	-70.9	-20	0	0	0	108.9	T426 H488 R489 F490 K491	D407-T426 HydrophobicContact CB-CG2 3.91Å; D407-T426 WeakPolarHBondContact O-CG2 3.36Å; D407-T426 PolarHBondContact O-N 3.27Å; D407-H488 HydrophobicContact CB-CB 4.28Å; D407-H488 VanDerWaalsContact OD1-CA 3.29Å; D407-H488 WeakPolarHBondContact OD1-CA 3.49Å; D407-H488 VanDerWaalsContact OD1-CB 3.28Å; D407-H488 WeakPolarHBondContact OD1-CB 3.3Å; D407-H488 IonicContact OD1-CD2 2.71Å; D407-H488 IonicContact OD1-CG 3.59Å; D407-R489 PolarHBondContact OD1-N 2.94Å; D407-F490 PolarHBondContact OD1-N 3.28Å; D407-F490 WeakPolarHBondContact OD2-CA 3.46Å; D407-F490 WeakPolarHBondContact OD2-CB 3.18Å; D407-F490 PolarHBondContact OD2-N 3.36Å; D407-K491 PolarHBondContact OD2-N 2.91Å
408	V	92.6	Very high	89.3	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	122.7	177.9	175	0	0	0	0	109.6	F399 F402 G406 V411 V423 Q424 F425 H488	F399-V408 HydrophobicContact CD2-CB 3.84Å; F399-V408 HydrophobicContact CD2-CG1 4.03Å; F399-V408 HydrophobicContact CE2-CB 4.19Å; F402-V408 HydrophobicContact CB-CG2 3.77Å; G406-V408 PolarHBondContact O-N 3.42Å; V408-V411 HydrophobicContact CG1-CG2 3.71Å; V408-V423 HydrophobicContact CB-CG1 4.48Å; V408-V423 HydrophobicContact CG1-CG1 3.76Å; V408-V423 HydrophobicContact CG2-CG1 3.89Å; V408-Q424 CarbonylContact C-O 3.55Å; V408-F425 HydrophobicContact CG2-CD1 4.14Å; V408-F425 HydrophobicContact CG2-CE1 3.75Å; V408-F425 HydrophobicContact CG2-CZ 4.11Å; V408-H488 PolarHBondContact O-NE2 2.83Å
409	Q	90.1	Very high	89	Confident	45 Å²	45	43.3 Å²	43.3	21%	0.21	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	-45.7	173.9	-68.7	-176	-15.8	0	0	112.2	Q424 T426 D481 Y482 T483	Q409-Q424 HydrophobicContact CB-CG 4.3Å; Q409-Q424 PolarHBondContact N-O 3.43Å; Q409-T426 HydrophobicContact CG-CG2 3.72Å; Q409-D481 VanDerWaalsContact O-OD1 3.1Å; Q409-Y482 CarbonylContact O-C 3.51Å; Q409-Y482 WeakPolarHBondContact O-CA 3.43Å; Q409-Y482 PolarHBondContact O-N 3.01Å; Q409-T483 PolarHBondContact O-N 3.29Å
410	R	88.9	Confident	88.9	Confident	60 Å²	60	43.5 Å²	43.5	23%	0.226	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	146.3	-175	-61.1	-174.1	175.6	92.4	17.3	111.7	V423 Q424 V458 C480 D481	R410-V423 WeakPolarHBondContact O-CA 3.26Å; R410-Q424 HydrophobicContact CB-CB 4.12Å; R410-Q424 PolarHBondContact N-O 2.86Å; R410-Q424 PolarHBondContact O-N 2.74Å; R410-V458 HydrophobicContact CB-CB 4.18Å; R410-V458 HydrophobicContact CB-CG1 4.23Å; R410-C480 WeakPolarHBondContact CA-O 3.26Å; R410-D481 HydrophobicContact CG-CB 4.41Å; R410-D481 IonicContact CZ-OD2 3.33Å; R410-D481 IonicContact NE-OD2 2.77Å; R410-D481 PolarHBondContact NE-OD2 2.72Å; R410-D481 IonicContact NH2-OD2 3.42Å; R410-D481 PolarHBondContact NH2-OD2 3.17Å
411	V	92	Very high	88.9	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	133.8	170.3	-178	0	0	0	0	109	P395 L398 F399 V408 L422 V423 T479 C480 Y482	P395-V411 HydrophobicContact CB-CB 4.1Å; P395-V411 HydrophobicContact CB-CG1 3.89Å; L398-V411 HydrophobicContact CB-CG1 3.95Å; L398-V411 HydrophobicContact CB-CG2 4.49Å; L398-V411 HydrophobicContact CD1-CG1 3.75Å; L398-V411 HydrophobicContact CG-CG1 4.49Å; F399-V411 HydrophobicContact CB-CG2 4.29Å; V408-V411 HydrophobicContact CG1-CG2 3.71Å; V411-L422 WeakPolarHBondContact CA-O 3.32Å; V411-V423 HydrophobicContact CG1-CG2 4.43Å; V411-V423 HydrophobicContact CG2-CG1 4.44Å; V411-V423 HydrophobicContact CG2-CG2 4.47Å; V411-T479 CarbonylContact O-C 3.59Å; V411-T479 WeakPolarHBondContact O-CA 3.28Å; V411-C480 PolarHBondContact N-O 2.92Å; V411-C480 PolarHBondContact O-N 3.42Å; V411-Y482 HydrophobicContact CB-CE2 4.01Å; V411-Y482 HydrophobicContact CG2-CD2 4.14Å; V411-Y482 HydrophobicContact CG2-CE2 3.77Å
412	K	89.8	Confident	88.8	Confident	50 Å²	50	42.9 Å²	42.9	22%	0.217	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	107.6	177.4	179.9	164.7	-165.5	174.2	0	110.5	A421 L422 V458 N459 T479	K412-A421 CarbonylContact O-C 3.46Å; K412-A421 WeakPolarHBondContact O-CA 3.29Å; K412-L422 PolarHBondContact N-O 2.94Å; K412-L422 PolarHBondContact O-N 3.42Å; K412-V458 HydrophobicContact CB-CG1 3.49Å; K412-V458 VanDerWaalsContact CB-CG1 3.49Å; K412-V458 HydrophobicContact CD-CG1 3.89Å; K412-V458 HydrophobicContact CG-CG1 4.34Å; K412-N459 PolarHBondContact NZ-O 2.96Å; K412-T479 HydrophobicContact CB-CG2 4.06Å; K412-T479 HydrophobicContact CD-CG2 4.23Å; K412-T479 HydrophobicContact CG-CG2 4.19Å; K412-T479 WeakPolarHBondContact CG-OG1 3.49Å
413	I	89.7	Confident	88.8	Confident	19 Å²	19	42.9 Å²	42.9	10%	0.097	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	131.5	166.6	-59.8	178.6	0	0	0	107.5	P395 L398 H415 A421 T478	P395-I413 HydrophobicContact CG-CD1 3.99Å; P395-I413 HydrophobicContact CG-CG1 4.32Å; L398-I413 HydrophobicContact CD1-CG1 4.28Å; I413-H415 PolarHBondContact O-N 3.47Å; I413-A421 HydrophobicContact CG1-CB 4.15Å; I413-T478 PolarHBondContact N-O 3.43Å
414	L	84.9	Confident	88.8	Confident	50 Å²	50	43 Å²	43	26%	0.262	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	122.8	-175.3	-79.4	74.3	0	0	0	110.1	N416 K417 R418 T420 L422	L414-N416 VanDerWaalsContact C-N 3.28Å; L414-N416 PolarHBondContact O-N 2.87Å; L414-K417 CarbonylContact O-C 3.25Å; L414-K417 PolarHBondContact O-N 2.93Å; L414-K417 VanDerWaalsContact O-N 3.14Å; L414-K417 VanDerWaalsContact O-O 3.13Å; L414-R418 WeakPolarHBondContact O-CA 3.37Å; L414-R418 PolarHBondContact O-N 3.12Å; L414-R418 VanDerWaalsContact O-N 3.11Å; L414-T420 PolarHBondContact N-O 2.93Å; L414-L422 HydrophobicContact CD1-CD1 4.4Å; L414-L422 HydrophobicContact CD1-CG 4.17Å
415	H	77.7	Confident	88.9	Confident	151 Å²	151	42.5 Å²	42.5	70%	0.699	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-40.5	178.2	60.7	-97.4	0	0	0	112.7	I413	I413-H415 PolarHBondContact O-N 3.47Å
416	N	77.4	Confident	88.8	Confident	135 Å²	135	45.6 Å²	45.6	72%	0.722	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-26.6	-178.8	-169.3	10.2	0	0	0	112.7	L414	L414-N416 VanDerWaalsContact C-N 3.28Å; L414-N416 PolarHBondContact O-N 2.87Å
417	K	83.9	Confident	88.7	Confident	134 Å²	134	48.7 Å²	48.7	58%	0.583	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-139.1	80.7	177.5	-70.3	-170.6	177.3	-174.2	0	108.6	L414 S419 T420	L414-K417 CarbonylContact O-C 3.25Å; L414-K417 PolarHBondContact O-N 2.93Å; L414-K417 VanDerWaalsContact O-N 3.14Å; L414-K417 VanDerWaalsContact O-O 3.13Å; K417-S419 PolarHBondContact O-N 2.81Å; K417-T420 HydrophobicContact CB-CG2 4.18Å; K417-T420 PolarHBondContact O-N 2.86Å; K417-T420 PolarHBondContact O-OG1 3.42Å; K417-T420 VanDerWaalsContact O-OG1 3.05Å
418	R	85	Confident	88.6	Confident	160 Å²	160	48.9 Å²	48.9	60%	0.604	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-58.8	-18.4	-177.5	-66.3	-172.9	178.3	-167	-2.5	113.7	T390 L414 T420	T390-R418 HydrophobicContact CG2-CB 3.71Å; L414-R418 WeakPolarHBondContact O-CA 3.37Å; L414-R418 PolarHBondContact O-N 3.12Å; L414-R418 VanDerWaalsContact O-N 3.11Å; R418-T420 PolarHBondContact O-N 3.26Å
419	S	87.1	Confident	88.4	Confident	42 Å²	42	53 Å²	53	29%	0.294	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	3.2	171.1	58.2	0	0	0	0	114.3	S386 N387 L388 K417	S386-S419 CarbonylContact C-O 3.37Å; N387-S419 PolarHBondContact N-O 2.75Å; L388-S419 PolarHBondContact N-O 2.6Å; K417-S419 PolarHBondContact O-N 2.81Å
420	T	90.8	Very high	88.4	Confident	11 Å²	11	51.8 Å²	51.8	7%	0.067	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	148.9	178.8	73.3	0	0	0	0	112.7	F384 V385 L414 K417 R418	F384-T420 HydrophobicContact CE2-CG2 4.35Å; F384-T420 HydrophobicContact CZ-CG2 3.84Å; V385-T420 CarbonylContact O-C 3.56Å; V385-T420 WeakPolarHBondContact O-CA 3.33Å; V385-T420 WeakPolarHBondContact O-CB 3.32Å; L414-T420 PolarHBondContact N-O 2.93Å; K417-T420 HydrophobicContact CB-CG2 4.18Å; K417-T420 PolarHBondContact O-N 2.86Å; K417-T420 PolarHBondContact O-OG1 3.42Å; K417-T420 VanDerWaalsContact O-OG1 3.05Å; R418-T420 PolarHBondContact O-N 3.26Å
421	A	93.2	Very high	88.5	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	159.7	180	0	0	0	0	0	112.3	V385 L388 L398 K412 I413	V385-A421 PolarHBondContact N-O 3.43Å; V385-A421 PolarHBondContact O-N 2.97Å; L388-A421 HydrophobicContact CD1-CB 3.7Å; L398-A421 HydrophobicContact CD1-CB 3.54Å; K412-A421 CarbonylContact O-C 3.46Å; K412-A421 WeakPolarHBondContact O-CA 3.29Å; I413-A421 HydrophobicContact CG1-CB 4.15Å
422	L	92.1	Very high	88.4	Confident	15 Å²	15	51.6 Å²	51.6	8%	0.079	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	132.5	167.4	-67	164.8	0	0	0	109.3	V382 A383 F384 V411 K412 L414 S453 V458	V382-L422 HydrophobicContact CG1-CB 4.03Å; V382-L422 HydrophobicContact CG1-CD2 3.81Å; V382-L422 HydrophobicContact CG1-CG 4.48Å; A383-L422 CarbonylContact O-C 3.51Å; A383-L422 WeakPolarHBondContact O-CA 3.49Å; F384-L422 HydrophobicContact CB-CD2 4.06Å; F384-L422 HydrophobicContact CD2-CD2 3.87Å; F384-L422 HydrophobicContact CD2-CG 4.47Å; F384-L422 HydrophobicContact CG-CD2 4.48Å; V411-L422 WeakPolarHBondContact CA-O 3.32Å; K412-L422 PolarHBondContact N-O 2.94Å; K412-L422 PolarHBondContact O-N 3.42Å; L414-L422 HydrophobicContact CD1-CD1 4.4Å; L414-L422 HydrophobicContact CD1-CG 4.17Å; L422-S453 WeakPolarHBondContact CD2-OG 3.43Å; L422-V458 HydrophobicContact CB-CG2 3.68Å
423	V	94	Very high	88.4	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	110.7	178.6	-178.6	0	0	0	0	108.4	V382 A383 V385 L398 F402 V408 R410 V411 F425	V382-V423 CarbonylContact C-O 3.57Å; V382-V423 WeakPolarHBondContact CA-O 3.42Å; A383-V423 HydrophobicContact CB-CB 4.48Å; A383-V423 PolarHBondContact N-O 3.15Å; A383-V423 PolarHBondContact O-N 3.42Å; V385-V423 HydrophobicContact CG2-CG2 4.09Å; L398-V423 HydrophobicContact CB-CG2 4.49Å; F402-V423 HydrophobicContact CB-CG1 3.98Å; F402-V423 HydrophobicContact CD1-CB 4.28Å; F402-V423 HydrophobicContact CD1-CG1 4Å; F402-V423 HydrophobicContact CD1-CG2 4.35Å; F402-V423 HydrophobicContact CD2-CG2 4.45Å; F402-V423 HydrophobicContact CE1-CG2 4.49Å; F402-V423 HydrophobicContact CG-CG1 4.02Å; F402-V423 HydrophobicContact CG-CG2 4.35Å; V408-V423 HydrophobicContact CB-CG1 4.48Å; V408-V423 HydrophobicContact CG1-CG1 3.76Å; V408-V423 HydrophobicContact CG2-CG1 3.89Å; R410-V423 WeakPolarHBondContact O-CA 3.26Å; V411-V423 HydrophobicContact CG1-CG2 4.43Å; V411-V423 HydrophobicContact CG2-CG1 4.44Å; V411-V423 HydrophobicContact CG2-CG2 4.47Å; V423-F425 HydrophobicContact CG1-CD2 4.41Å; V423-F425 HydrophobicContact CG1-CE2 3.95Å; V423-F425 HydrophobicContact CG1-CZ 4.37Å
424	Q	92.7	Very high	88.5	Confident	12 Å²	12	51.4 Å²	51.4	6%	0.056	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	126.8	176.4	-177.7	172.2	-10.9	0	0	110.1	V382 V408 Q409 R410 V458	V382-Q424 HydrophobicContact CG2-CB 4.13Å; V382-Q424 HydrophobicContact CG2-CG 4.13Å; V408-Q424 CarbonylContact C-O 3.55Å; Q409-Q424 HydrophobicContact CB-CG 4.3Å; Q409-Q424 PolarHBondContact N-O 3.43Å; R410-Q424 HydrophobicContact CB-CB 4.12Å; R410-Q424 PolarHBondContact N-O 2.86Å; R410-Q424 PolarHBondContact O-N 2.74Å; Q424-V458 HydrophobicContact CB-CB 4.26Å; Q424-V458 HydrophobicContact CB-CG2 3.85Å
425	F	93.2	Very high	88.9	Confident	1 Å²	1	49.6 Å²	49.6	0%	0.004	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	168.4	171.7	-74.7	-89.2	0	0	0	112.1	P381 A383 F402 V408 V423 D427 Q430 A431 A434	P381-F425 PolarHBondContact O-N 2.75Å; A383-F425 HydrophobicContact CB-CE2 4.43Å; F402-F425 HydrophobicContact CB-CE1 4.45Å; F402-F425 HydrophobicContact CB-CZ 3.79Å; F402-F425 AromaticContact CD1-CE2 3.94Å; F402-F425 HydrophobicContact CD1-CE2 3.94Å; F402-F425 AromaticContact CD1-CZ 3.79Å; F402-F425 HydrophobicContact CD1-CZ 3.79Å; F402-F425 HydrophobicContact CG-CZ 4.3Å; V408-F425 HydrophobicContact CG2-CD1 4.14Å; V408-F425 HydrophobicContact CG2-CE1 3.75Å; V408-F425 HydrophobicContact CG2-CZ 4.11Å; V423-F425 HydrophobicContact CG1-CD2 4.41Å; V423-F425 HydrophobicContact CG1-CE2 3.95Å; V423-F425 HydrophobicContact CG1-CZ 4.37Å; F425-D427 VanDerWaalsContact C-N 3.27Å; F425-Q430 HydrophobicContact CB-CB 3.98Å; F425-Q430 HydrophobicContact CD1-CB 3.73Å; F425-Q430 HydrophobicContact CE1-CB 4.44Å; F425-Q430 HydrophobicContact CG-CB 4Å; F425-A431 HydrophobicContact CB-CB 4.35Å; F425-A431 VanDerWaalsContact CD2-CA 3.48Å; F425-A431 HydrophobicContact CD2-CB 3.66Å; F425-A431 HydrophobicContact CE2-CB 4.32Å; F425-A431 HydrophobicContact CG-CB 4.26Å; F425-A434 HydrophobicContact CE1-CB 4.25Å; F425-A434 HydrophobicContact CE2-CB 3.73Å; F425-A434 HydrophobicContact CZ-CB 3.33Å
426	T	89.5	Confident	89.5	Confident	65 Å²	65	47.7 Å²	47.7	40%	0.399	24%	0.239	S	C	.	.	S	Bend	trans	-67.5	-24.2	169.1	53.3	0	0	0	0	113.9	D407 Q409 Q430	D407-T426 HydrophobicContact CB-CG2 3.91Å; D407-T426 WeakPolarHBondContact O-CG2 3.36Å; D407-T426 PolarHBondContact O-N 3.27Å; Q409-T426 HydrophobicContact CG-CG2 3.72Å; T426-Q430 PolarHBondContact OG1-NE2 2.75Å; T426-Q430 PolarHBondContact OG1-OE1 2.74Å
427	D	86.4	Confident	90.2	Very high	64 Å²	64	44.7 Å²	44.7	34%	0.342	22%	0.219	S	C	.	.	S	Bend	trans	-147.6	152.3	-176.3	173.2	46	0	0	0	112.3	F425 N429 Q430 A431	F425-D427 VanDerWaalsContact C-N 3.27Å; D427-N429 PolarHBondContact O-N 3.26Å; D427-N429 WeakPolarHBondContact OD2-CB 2.97Å; D427-N429 PolarHBondContact OD2-N 3.33Å; D427-N429 VanDerWaalsContact OD2-N 3.09Å; D427-N429 PolarHBondContact OD2-ND2 2.84Å; D427-Q430 HydrophobicContact CB-CG 4.16Å; D427-Q430 WeakPolarHBondContact O-CB 3Å; D427-Q430 PolarHBondContact O-N 2.79Å; D427-A431 PolarHBondContact O-N 3.16Å
428	A	88.8	Confident	90.6	Very high	13 Å²	13	38.3 Å²	38.3	11%	0.107	19%	0.192	C	C	.	.	H	α-helix	trans	-66.1	-33.2	178.8	0	0	0	0	0	113.2	F379 Q430 A431 L432	F379-A428 HydrophobicContact CB-CB 3.92Å; F379-A428 HydrophobicContact CD1-CB 4.41Å; A428-Q430 VanDerWaalsContact C-N 3.3Å; A428-Q430 PolarHBondContact O-N 2.95Å; A428-A431 PolarHBondContact O-N 3.2Å; A428-L432 WeakPolarHBondContact O-CB 3.4Å; A428-L432 PolarHBondContact O-N 3.13Å
429	N	88.3	Confident	90.9	Very high	85 Å²	85	34.7 Å²	34.7	46%	0.455	18%	0.184	S	C	.	.	H	α-helix	trans	-68.9	-32.8	175.9	-53.7	-78.6	0	0	0	111.3	D427 L432 R433	D427-N429 PolarHBondContact O-N 3.26Å; D427-N429 WeakPolarHBondContact OD2-CB 2.97Å; D427-N429 PolarHBondContact OD2-N 3.33Å; D427-N429 VanDerWaalsContact OD2-N 3.09Å; D427-N429 PolarHBondContact OD2-ND2 2.84Å; N429-L432 PolarHBondContact O-N 2.83Å; N429-R433 WeakPolarHBondContact O-CB 3.4Å; N429-R433 VanDerWaalsContact O-CG 3.27Å; N429-R433 WeakPolarHBondContact O-CG 3.45Å; N429-R433 PolarHBondContact O-N 2.95Å
430	Q	91.1	Very high	91	Very high	21 Å²	21	34.6 Å²	34.6	10%	0.098	19%	0.19	C	C	.	.	H	α-helix	trans	-65.3	-44.8	174.3	-65.3	-179.2	19.1	0	0	111.4	G406 F425 T426 D427 A428 R433 A434	G406-Q430 VanDerWaalsContact CA-OE1 3.26Å; F425-Q430 HydrophobicContact CB-CB 3.98Å; F425-Q430 HydrophobicContact CD1-CB 3.73Å; F425-Q430 HydrophobicContact CE1-CB 4.44Å; F425-Q430 HydrophobicContact CG-CB 4Å; T426-Q430 PolarHBondContact OG1-NE2 2.75Å; T426-Q430 PolarHBondContact OG1-OE1 2.74Å; D427-Q430 HydrophobicContact CB-CG 4.16Å; D427-Q430 WeakPolarHBondContact O-CB 3Å; D427-Q430 PolarHBondContact O-N 2.79Å; A428-Q430 VanDerWaalsContact C-N 3.3Å; A428-Q430 PolarHBondContact O-N 2.95Å; Q430-R433 PolarHBondContact O-N 2.8Å; Q430-A434 WeakPolarHBondContact O-CB 3.22Å; Q430-A434 PolarHBondContact O-N 3.45Å
431	A	90.8	Very high	91	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.8	-45.7	174.5	0	0	0	0	0	112.2	S380 F425 D427 A428 A434 V435 L452	S380-A431 WeakPolarHBondContact O-CB 3.35Å; F425-A431 HydrophobicContact CB-CB 4.35Å; F425-A431 VanDerWaalsContact CD2-CA 3.48Å; F425-A431 HydrophobicContact CD2-CB 3.66Å; F425-A431 HydrophobicContact CE2-CB 4.32Å; F425-A431 HydrophobicContact CG-CB 4.26Å; D427-A431 PolarHBondContact O-N 3.16Å; A428-A431 PolarHBondContact O-N 3.2Å; A431-A434 PolarHBondContact O-N 3.33Å; A431-V435 WeakPolarHBondContact O-CB 3.3Å; A431-V435 WeakPolarHBondContact O-CG2 3.15Å; A431-V435 PolarHBondContact O-N 2.87Å; A431-L452 HydrophobicContact CB-CD2 4.04Å
432	L	90.5	Very high	91	Very high	55 Å²	55	35.8 Å²	35.8	29%	0.288	20%	0.197	S	C	.	.	H	α-helix	trans	-60.7	-45.3	176.5	177.9	62	0	0	0	112.2	F379 A428 N429 V435 N436 L452	F379-L432 HydrophobicContact CE1-CD2 4.46Å; A428-L432 WeakPolarHBondContact O-CB 3.4Å; A428-L432 PolarHBondContact O-N 3.13Å; N429-L432 PolarHBondContact O-N 2.83Å; L432-V435 PolarHBondContact O-N 3.5Å; L432-N436 WeakPolarHBondContact O-CB 3.42Å; L432-N436 PolarHBondContact O-N 2.84Å; L432-N436 PolarHBondContact O-OD1 2.97Å; L432-L452 HydrophobicContact CD1-CD1 4.15Å
433	R	89.7	Confident	90.9	Very high	65 Å²	65	35.1 Å²	35.1	25%	0.245	19%	0.193	C	C	.	.	H	α-helix	trans	-61.2	-44.7	175.6	-72.4	-174.8	-42.4	-155.7	9.3	112	Y405 N429 Q430 N436 F437 I501	Y405-R433 PolarHBondContact O-NH2 3.14Å; N429-R433 WeakPolarHBondContact O-CB 3.4Å; N429-R433 VanDerWaalsContact O-CG 3.27Å; N429-R433 WeakPolarHBondContact O-CG 3.45Å; N429-R433 PolarHBondContact O-N 2.95Å; Q430-R433 PolarHBondContact O-N 2.8Å; R433-N436 PolarHBondContact O-N 2.94Å; R433-F437 WeakPolarHBondContact O-CD2 3.47Å; R433-F437 PolarHBondContact O-N 2.91Å; R433-F437 VanDerWaalsContact O-N 3.1Å; R433-I501 VanDerWaalsContact CZ-CD1 3.45Å
434	A	92.3	Very high	90.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.6	-45.6	178.6	0	0	0	0	0	111.4	F402 Y405 F425 Q430 A431 N436 F437 L438	F402-A434 HydrophobicContact CD1-CB 3.99Å; F402-A434 HydrophobicContact CE1-CB 4.44Å; Y405-A434 HydrophobicContact CG-CB 4.34Å; F425-A434 HydrophobicContact CE1-CB 4.25Å; F425-A434 HydrophobicContact CE2-CB 3.73Å; F425-A434 HydrophobicContact CZ-CB 3.33Å; Q430-A434 WeakPolarHBondContact O-CB 3.22Å; Q430-A434 PolarHBondContact O-N 3.45Å; A431-A434 PolarHBondContact O-N 3.33Å; A434-N436 PolarHBondContact O-N 2.83Å; A434-F437 PolarHBondContact O-N 2.94Å; A434-L438 HydrophobicContact CB-CD1 4.43Å; A434-L438 WeakPolarHBondContact O-CB 3.27Å; A434-L438 WeakPolarHBondContact O-CG 3.44Å; A434-L438 PolarHBondContact O-N 2.92Å
435	V	92.1	Very high	90.4	Very high	13 Å²	13	39.8 Å²	39.8	8%	0.079	23%	0.231	C	C	.	.	H	α-helix	trans	-58	-47.6	174.9	163.9	0	0	0	0	111.4	A383 A431 L432 F437 N439 C450 L452	A383-V435 HydrophobicContact CB-CG2 3.77Å; A431-V435 WeakPolarHBondContact O-CB 3.3Å; A431-V435 WeakPolarHBondContact O-CG2 3.15Å; A431-V435 PolarHBondContact O-N 2.87Å; L432-V435 PolarHBondContact O-N 3.5Å; V435-F437 VanDerWaalsContact C-N 3.32Å; V435-F437 PolarHBondContact O-N 3.28Å; V435-N439 WeakPolarHBondContact O-CB 3.32Å; V435-N439 PolarHBondContact O-N 2.9Å; V435-N439 VanDerWaalsContact O-N 3.11Å; V435-C450 HydrophobicContact CB-CB 4.48Å; V435-C450 HydrophobicContact CG2-CB 4.25Å; V435-L452 HydrophobicContact CG2-CD2 4.14Å
436	N	90.4	Very high	90.1	Very high	111 Å²	111	43 Å²	43	59%	0.594	25%	0.245	S	C	*	.	H	α-helix	trans	-65	-31.7	-178.1	-69.6	-6.1	0	0	0	113.6	L432 R433 A434	L432-N436 WeakPolarHBondContact O-CB 3.42Å; L432-N436 PolarHBondContact O-N 2.84Å; L432-N436 PolarHBondContact O-OD1 2.97Å; R433-N436 PolarHBondContact O-N 2.94Å; A434-N436 PolarHBondContact O-N 2.83Å
437	F	91.5	Very high	90.1	Very high	72 Å²	72	43.5 Å²	43.5	32%	0.316	25%	0.245	S	C	.	.	H	α-helix	trans	-96.7	-24.7	-177.7	-71.8	-52.6	0	0	0	114.7	Y405 R433 A434 V435 I501 A503 P504	Y405-F437 HydrophobicContact CD1-CB 4.06Å; Y405-F437 AromaticContact CD1-CD2 3.6Å; Y405-F437 HydrophobicContact CD1-CD2 3.6Å; Y405-F437 HydrophobicContact CD1-CE2 4.49Å; Y405-F437 HydrophobicContact CD1-CG 4.24Å; Y405-F437 HydrophobicContact CE1-CB 3.47Å; Y405-F437 VanDerWaalsContact CE1-CB 3.47Å; Y405-F437 AromaticContact CE1-CD2 3.43Å; Y405-F437 HydrophobicContact CE1-CD2 3.43Å; Y405-F437 VanDerWaalsContact CE1-CD2 3.43Å; Y405-F437 HydrophobicContact CE1-CE2 4.35Å; Y405-F437 AromaticContact CE1-CG 3.69Å; Y405-F437 HydrophobicContact CE1-CG 3.69Å; R433-F437 WeakPolarHBondContact O-CD2 3.47Å; R433-F437 PolarHBondContact O-N 2.91Å; R433-F437 VanDerWaalsContact O-N 3.1Å; A434-F437 PolarHBondContact O-N 2.94Å; V435-F437 VanDerWaalsContact C-N 3.32Å; V435-F437 PolarHBondContact O-N 3.28Å; F437-I501 HydrophobicContact CD2-CG2 4.42Å; F437-I501 HydrophobicContact CE2-CG2 4.12Å; F437-A503 HydrophobicContact CD1-CB 3.72Å; F437-A503 HydrophobicContact CE1-CB 4.02Å; F437-P504 WeakPolarHBondContact O-CD 3.36Å; F437-P504 WeakPolarHBondContact O-CG 3.32Å
438	L	92.6	Very high	90.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-102.8	-8.8	-177.5	-63.6	173.6	0	0	0	113.8	L401 F402 Y405 A434 G440 I441 P504	L401-L438 HydrophobicContact CD1-CD2 3.92Å; L401-L438 HydrophobicContact CG-CD1 4.32Å; L401-L438 HydrophobicContact CG-CD2 4.12Å; F402-L438 HydrophobicContact CD1-CD1 3.73Å; F402-L438 HydrophobicContact CD2-CD1 3.87Å; F402-L438 HydrophobicContact CE1-CD1 3.72Å; F402-L438 HydrophobicContact CE2-CD1 3.85Å; F402-L438 HydrophobicContact CG-CD1 3.8Å; F402-L438 HydrophobicContact CZ-CD1 3.76Å; Y405-L438 HydrophobicContact CD2-CD1 3.85Å; Y405-L438 HydrophobicContact CD2-CD2 4.3Å; Y405-L438 HydrophobicContact CD2-CG 4.03Å; Y405-L438 HydrophobicContact CE2-CD1 4.08Å; Y405-L438 HydrophobicContact CE2-CD2 3.68Å; Y405-L438 HydrophobicContact CE2-CG 3.84Å; A434-L438 HydrophobicContact CB-CD1 4.43Å; A434-L438 WeakPolarHBondContact O-CB 3.27Å; A434-L438 WeakPolarHBondContact O-CG 3.44Å; A434-L438 PolarHBondContact O-N 2.92Å; L438-G440 PolarHBondContact O-N 3.25Å; L438-I441 HydrophobicContact CD2-CD1 3.61Å; L438-P504 HydrophobicContact CD2-CG 4.14Å
439	N	91.1	Very high	90.4	Very high	84 Å²	84	43.9 Å²	43.9	45%	0.449	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	120.5	174.3	-175.6	46.7	0	0	0	110.9	V435 H449 C450	V435-N439 WeakPolarHBondContact O-CB 3.32Å; V435-N439 PolarHBondContact O-N 2.9Å; V435-N439 VanDerWaalsContact O-N 3.11Å; N439-H449 WeakPolarHBondContact OD1-CA 3.2Å; N439-C450 HydrophobicContact CB-CB 4.02Å; N439-C450 PolarHBondContact OD1-N 2.97Å; N439-C450 PolarHBondContact OD1-O 3Å
440	G	89.6	Confident	90.5	Very high	39 Å²	39	39.9 Å²	39.9	40%	0.402	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.8	13.2	177.4	0	0	0	0	0	115.5	L438 I448	L438-G440 PolarHBondContact O-N 3.25Å; G440-I448 WeakPolarHBondContact CA-O 3.44Å; G440-I448 PolarHBondContact N-O 3.49Å
441	I	92.3	Very high	90.4	Very high	10 Å²	10	42.5 Å²	42.5	5%	0.051	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	148.2	179	74	160.4	0	0	0	112.6	L401 L438 I447 I448 P504 V558	L401-I441 HydrophobicContact CD1-CD1 4.33Å; L401-I441 HydrophobicContact CD2-CD1 4.29Å; L438-I441 HydrophobicContact CD2-CD1 3.61Å; I441-I447 WeakPolarHBondContact O-CA 3.36Å; I441-I448 HydrophobicContact CD1-CD1 4.08Å; I441-I448 HydrophobicContact CG1-CD1 3.66Å; I441-I448 HydrophobicContact CG1-CG1 3.68Å; I441-I448 PolarHBondContact O-N 2.9Å; I441-P504 HydrophobicContact CG2-CG 4.12Å; I441-V558 HydrophobicContact CD1-CG1 4.41Å; I441-V558 HydrophobicContact CD1-CG2 4.13Å
442	P	91.2	Very high	90.3	Very high	26 Å²	26	44.7 Å²	44.7	17%	0.169	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	133.7	169.9	31.5	-34.2	0	0	0	111.5	K446 I447 L554 E555	P442-K446 CarbonylContact C-O 3.59Å; P442-K446 WeakPolarHBondContact CA-O 3.47Å; P442-I447 HydrophobicContact CB-CD1 3.97Å; P442-L554 HydrophobicContact CG-CB 4.35Å; P442-L554 HydrophobicContact CG-CD2 4.38Å; P442-L554 HydrophobicContact CG-CG 4.36Å; P442-E555 HydrophobicContact CB-CB 3.99Å; P442-E555 HydrophobicContact CB-CG 4.14Å; P442-E555 HydrophobicContact CG-CB 3.97Å
443	L	91.4	Very high	90.1	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	110.2	173	179.1	66.7	0	0	0	109	V393 L401 G445 K446 I448 V558 I562	V393-L443 HydrophobicContact CG2-CD2 3.88Å; V393-L443 HydrophobicContact CG2-CG 4.36Å; L401-L443 HydrophobicContact CD2-CD2 4.13Å; L443-G445 PolarHBondContact O-N 3.12Å; L443-K446 PolarHBondContact N-O 2.77Å; L443-K446 PolarHBondContact O-N 2.94Å; L443-I448 HydrophobicContact CB-CG2 3.87Å; L443-I448 HydrophobicContact CD2-CG2 4.09Å; L443-V558 HydrophobicContact CD1-CG1 3.73Å; L443-I562 HydrophobicContact CD1-CD1 3.58Å
444	Y	90.3	Very high	89.5	Confident	44 Å²	44	48.7 Å²	48.7	17%	0.173	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	52.7	176.2	-53.9	-42.1	0	0	0	114	N389 K392 V393 T397 K446 E555	N389-Y444 PolarHBondContact ND2-O 2.96Å; K392-Y444 HydrophobicContact CB-CD1 4.49Å; K392-Y444 HydrophobicContact CB-CD2 3.39Å; K392-Y444 HydrophobicContact CB-CE2 3.83Å; K392-Y444 HydrophobicContact CB-CG 3.77Å; K392-Y444 HydrophobicContact CD-CD1 4.07Å; K392-Y444 HydrophobicContact CD-CD2 4.41Å; K392-Y444 HydrophobicContact CD-CG 3.91Å; K392-Y444 HydrophobicContact CG-CG 4.49Å; V393-Y444 HydrophobicContact CG2-CD2 3.86Å; V393-Y444 HydrophobicContact CG2-CE2 4.3Å; T397-Y444 HydrophobicContact CG2-CE2 3.91Å; Y444-K446 VanDerWaalsContact C-N 3.31Å; Y444-K446 PolarHBondContact O-N 2.88Å; Y444-E555 WeakPolarHBondContact CA-OE1 3.19Å; Y444-E555 PolarHBondContact N-OE1 2.84Å
445	G	85.1	Confident	88.7	Confident	66 Å²	66	52.5 Å²	52.5	68%	0.68	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	6	177.5	0	0	0	0	0	115	L443 E555	L443-G445 PolarHBondContact O-N 3.12Å; G445-E555 PolarHBondContact N-OE1 3.4Å
446	K	86.6	Confident	87.9	Confident	69 Å²	69	56 Å²	56	30%	0.3	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	144.3	178.8	-67	-167.8	176.4	-169.9	0	112.6	N387 L388 N389 P442 L443 Y444	N387-K446 WeakPolarHBondContact O-CB 3.49Å; N387-K446 VanDerWaalsContact O-CD 3.25Å; N387-K446 WeakPolarHBondContact O-CD 3.19Å; L388-K446 PolarHBondContact O-NZ 3.36Å; N389-K446 HydrophobicContact CB-CD 4.41Å; P442-K446 CarbonylContact C-O 3.59Å; P442-K446 WeakPolarHBondContact CA-O 3.47Å; L443-K446 PolarHBondContact N-O 2.77Å; L443-K446 PolarHBondContact O-N 2.94Å; Y444-K446 VanDerWaalsContact C-N 3.31Å; Y444-K446 PolarHBondContact O-N 2.88Å
447	I	90	Very high	87.5	Confident	76 Å²	76	54 Å²	54	39%	0.39	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	114.4	170.9	-56	-57.3	0	0	0	108.8	N387 I441 P442	N387-I447 WeakPolarHBondContact CB-O 3.21Å; N387-I447 PolarHBondContact ND2-O 2.95Å; I441-I447 WeakPolarHBondContact O-CA 3.36Å; P442-I447 HydrophobicContact CB-CD1 3.97Å
448	I	91.7	Very high	86.9	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	141.6	179	72.2	179.5	0	0	0	110.5	V385 L388 L401 G440 I441 L443	V385-I448 HydrophobicContact CG1-CB 4.34Å; V385-I448 HydrophobicContact CG1-CD1 4.46Å; L388-I448 HydrophobicContact CD2-CB 4.47Å; L388-I448 HydrophobicContact CD2-CG2 3.85Å; L401-I448 HydrophobicContact CD2-CD1 4.29Å; G440-I448 WeakPolarHBondContact CA-O 3.44Å; G440-I448 PolarHBondContact N-O 3.49Å; I441-I448 HydrophobicContact CD1-CD1 4.08Å; I441-I448 HydrophobicContact CG1-CD1 3.66Å; I441-I448 HydrophobicContact CG1-CG1 3.68Å; I441-I448 PolarHBondContact O-N 2.9Å; L443-I448 HydrophobicContact CB-CG2 3.87Å; L443-I448 HydrophobicContact CD2-CG2 4.09Å
449	H	89.2	Confident	86.1	Confident	84 Å²	84	56.2 Å²	56.2	39%	0.389	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	131	173.6	-60	-71.4	0	0	0	109.8	V385 S386 N439	V385-H449 CarbonylContact C-O 3Å; V385-H449 VanDerWaalsContact CA-O 3.31Å; V385-H449 WeakPolarHBondContact CA-O 3.33Å; S386-H449 PolarHBondContact N-O 3.41Å; S386-H449 PolarHBondContact O-N 3.11Å; N439-H449 WeakPolarHBondContact OD1-CA 3.2Å
450	C	91.1	Very high	84.9	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.007	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	130.4	-178.6	-60.2	0	0	0	0	109.3	F384 V435 N439	F384-C450 WeakPolarHBondContact O-CA 3.45Å; V435-C450 HydrophobicContact CB-CB 4.48Å; V435-C450 HydrophobicContact CG2-CB 4.25Å; N439-C450 HydrophobicContact CB-CB 4.02Å; N439-C450 PolarHBondContact OD1-N 2.97Å; N439-C450 PolarHBondContact OD1-O 3Å
451	V	89.1	Confident	83.5	Confident	76 Å²	76	57 Å²	57	46%	0.461	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	158	174.1	-64.2	0	0	0	0	110.2	F384 S453	F384-V451 HydrophobicContact CB-CG2 4.09Å; F384-V451 HydrophobicContact CD1-CG2 3.84Å; F384-V451 HydrophobicContact CG-CG2 4.46Å; F384-V451 PolarHBondContact N-O 2.85Å; F384-V451 PolarHBondContact O-N 3.36Å; V451-S453 PolarHBondContact O-N 3.06Å
452	L	89.1	Confident	81	Confident	47 Å²	47	65.9 Å²	65.9	25%	0.246	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	129.8	170.9	-69.8	178	0	0	0	110.2	A431 L432 V435	A431-L452 HydrophobicContact CB-CD2 4.04Å; L432-L452 HydrophobicContact CD1-CD1 4.15Å; V435-L452 HydrophobicContact CG2-CD2 4.14Å
453	S	85.5	Confident	78.6	Confident	11 Å²	11	70.2 Å²	70.2	8%	0.077	38%	0.383	C	S	.	.			trans	-78.3	144.9	178.3	-173.1	0	0	0	0	111.1	S380 V382 L422 V451 N455	S380-S453 WeakPolarHBondContact CB-O 3.21Å; S380-S453 PolarHBondContact OG-O 2.97Å; V382-S453 WeakPolarHBondContact O-CB 3.45Å; V382-S453 PolarHBondContact O-N 3.31Å; L422-S453 WeakPolarHBondContact CD2-OG 3.43Å; V451-S453 PolarHBondContact O-N 3.06Å; S453-N455 PolarHBondContact O-N 3.44Å; S453-N455 PolarHBondContact OG-N 3.2Å
454	K	78	Confident	75.7	Confident	192 Å²	192	77.2 Å²	77.2	84%	0.835	42%	0.42	S	S	*	.	S	Bend	trans	-68.1	-17.5	170.7	-62.8	-179.8	-178.7	178.8	0	112.7
455	N	75.2	Confident	72.9	Confident	80 Å²	80	83.1 Å²	83.1	43%	0.428	45%	0.454	S	S	.	.			trans	-82.3	128.5	-179.5	-60.7	-11	0	0	0	109.9	S380 V382 S453 T457	S380-N455 PolarHBondContact OG-O 2.85Å; V382-N455 WeakPolarHBondContact CB-O 3.37Å; V382-N455 WeakPolarHBondContact CG2-O 3.25Å; S453-N455 PolarHBondContact O-N 3.44Å; S453-N455 PolarHBondContact OG-N 3.2Å; N455-T457 VanDerWaalsContact C-N 3.32Å; N455-T457 PolarHBondContact O-N 2.78Å
456	P	75.9	Confident	70.2	Confident	87 Å²	87	88.6 Å²	88.6	57%	0.565	46%	0.462	S	S	*	.	S	Bend	trans	-75.8	-19	179.9	30.8	-35.8	0	0	0	113.4	P381	P381-P456 VanDerWaalsContact CG-O 3.26Å; P381-P456 WeakPolarHBondContact CG-O 3.35Å
457	T	80.7	Confident	67.5	Low	68 Å²	68	92.6 Å²	92.6	42%	0.417	49%	0.487	S	S	.	.	S	Bend	trans	-146.1	161.3	-177.6	53.4	0	0	0	0	111.2	N455	N455-T457 VanDerWaalsContact C-N 3.32Å; N455-T457 PolarHBondContact O-N 2.78Å
458	V	80.1	Confident	64.6	Low	5 Å²	5	97.8 Å²	97.8	3%	0.03	51%	0.514	C	S	.	.			trans	-100.2	113.4	173	171.9	0	0	0	0	109.8	V382 R410 K412 L422 Q424 M460	V382-V458 HydrophobicContact CG1-CG2 3.81Å; V382-V458 HydrophobicContact CG2-CG2 4.28Å; R410-V458 HydrophobicContact CB-CB 4.18Å; R410-V458 HydrophobicContact CB-CG1 4.23Å; K412-V458 HydrophobicContact CB-CG1 3.49Å; K412-V458 VanDerWaalsContact CB-CG1 3.49Å; K412-V458 HydrophobicContact CD-CG1 3.89Å; K412-V458 HydrophobicContact CG-CG1 4.34Å; L422-V458 HydrophobicContact CB-CG2 3.68Å; Q424-V458 HydrophobicContact CB-CB 4.26Å; Q424-V458 HydrophobicContact CB-CG2 3.85Å; V458-M460 PolarHBondContact O-N 2.91Å
459	N	74.7	Confident	61.9	Low	115 Å²	115	102.9 Å²	102.9	62%	0.615	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-71.1	119.5	179.7	-65.2	6.7	0	0	0	111.1	K412	K412-N459 PolarHBondContact NZ-O 2.96Å
460	M	66.5	Low	59.1	Low	69 Å²	69	104.2 Å²	104.2	34%	0.34	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-71.1	148.2	168.5	-65.8	-62.6	-70.1	0	0	110.8	V458 T479 D481	V458-M460 PolarHBondContact O-N 2.91Å; M460-T479 HydrophobicContact CE-CG2 4.15Å; M460-T479 HydrophobicContact SD-CG2 3.56Å; M460-T479 VanDerWaalsContact SD-CG2 3.56Å; M460-D481 HydrophobicContact CE-CB 4.03Å; M460-D481 HydrophobicContact SD-CB 4.33Å
461	P	59.1	Low	56.1	Low	71 Å²	71	110.9 Å²	110.9	46%	0.461	60%	0.6	S	S	.	*	P	Polyproline II helix	trans	-65	138.9	164.9	28.7	-33	0	0	0	110.3	T463	P461-T463 PolarHBondContact O-N 3.02Å
462	H	41.6	Very low	53.3	Low	196 Å²	196	110.7 Å²	110.7	91%	0.907	61%	0.613	S	S	*	*			trans	-79.3	66.4	172.5	-65.2	-75.3	0	0	0	110.6
463	T	39.7	Very low	50.5	Low	117 Å²	117	116.7 Å²	116.7	72%	0.718	64%	0.64	S	S	*	*			trans	-119.5	111.9	171.9	35.3	0	0	0	0	109.5	P461	P461-T463 PolarHBondContact O-N 3.02Å
464	N	31.1	Very low	48.1	Very low	148 Å²	148	123 Å²	123	79%	0.791	67%	0.673	S	S	*	*			trans	-61.5	155.9	-178.4	-65.2	-50	0	0	0	111.6
465	L	31.5	Very low	46.2	Very low	168 Å²	168	120.6 Å²	120.6	88%	0.88	67%	0.669	S	S	*	*	S	Bend	trans	-48.1	141.7	151.4	-73.2	137.6	0	0	0	109
466	Q	28.7	Very low	44.9	Very low	181 Å²	181	123.7 Å²	123.7	85%	0.846	68%	0.684	S	S	*	*			trans	86.2	80.4	-167.5	-51.8	171.5	18	0	0	114.8
467	N	30	Very low	44.3	Very low	153 Å²	153	125.2 Å²	125.2	82%	0.818	68%	0.682	S	S	*	*			trans	-156.4	80.8	133.8	-99.3	-18.1	0	0	0	109.2	T469	N467-T469 PolarHBondContact O-N 3.36Å
468	L	29.1	Very low	43.9	Very low	185 Å²	185	124.5 Å²	124.5	97%	0.969	68%	0.678	S	S	*	*			trans	-81.3	88.8	161.7	-80.7	158.1	0	0	0	107.4
469	T	33.6	Very low	44	Very low	107 Å²	107	125.5 Å²	125.5	66%	0.656	68%	0.683	S	S	*	*			trans	-99.9	125.3	165	49.3	0	0	0	0	108.4	N467 D471	N467-T469 PolarHBondContact O-N 3.36Å; T469-D471 PolarHBondContact O-N 2.93Å
470	S	30.4	Very low	44.4	Very low	112 Å²	112	120.8 Å²	120.8	78%	0.783	66%	0.659	S	S	*	*	S	Bend	trans	-68.1	-16.8	-169.9	43.2	0	0	0	0	115
471	D	28.6	Very low	45.4	Very low	141 Å²	141	120.7 Å²	120.7	75%	0.754	66%	0.66	S	S	*	*	S	Bend	trans	-136.2	106.9	-170.5	-55.2	-82.2	0	0	0	109.5	T469	T469-D471 PolarHBondContact O-N 2.93Å
472	G	30.3	Very low	46.8	Very low	72 Å²	72	118 Å²	118	74%	0.742	64%	0.641	S	S	*	*			trans	167.1	122.4	-179.4	0	0	0	0	0	113.8
473	E	30.5	Very low	48.8	Very low	172 Å²	172	112.4 Å²	112.4	80%	0.804	62%	0.621	S	S	*	*			trans	-74.6	138.5	-168.2	-70.9	170.9	94.6	0	0	116	D475	E473-D475 PolarHBondContact O-N 3.21Å
474	N	35.3	Very low	50.6	Low	144 Å²	144	109.3 Å²	109.3	77%	0.77	61%	0.612	S	S	*	*	S	Bend	trans	63.2	-5.7	141.4	-64.4	-30.6	0	0	0	122.7	I476	N474-I476 PolarHBondContact O-N 3.2Å; N474-I476 VanDerWaalsContact O-N 3.08Å
475	D	38.4	Very low	53.2	Low	141 Å²	141	104.9 Å²	104.9	75%	0.754	59%	0.586	S	S	*	*			trans	-82.9	21.2	-174.8	-124.4	5.1	0	0	0	115.7	E473	E473-D475 PolarHBondContact O-N 3.21Å
476	I	47.5	Very low	55.7	Low	146 Å²	146	102.7 Å²	102.7	75%	0.749	57%	0.57	S	S	*	*			trans	-103.4	132.2	-167.1	-60.2	173.5	0	0	0	111.7	N474	N474-I476 PolarHBondContact O-N 3.2Å; N474-I476 VanDerWaalsContact O-N 3.08Å
477	K	62.7	Low	58.3	Low	119 Å²	119	95 Å²	95	52%	0.517	53%	0.534	S	S	.	.			trans	67.3	50.6	177.9	-72.9	-173.4	161.3	-162.8	0	117.5	P395 D396	P395-K477 WeakPolarHBondContact CD-O 3.45Å; P395-K477 WeakPolarHBondContact CG-O 3.41Å; D396-K477 IonicContact OD1-NZ 3.87Å; D396-K477 IonicContact OD2-NZ 2.77Å; D396-K477 PolarHBondContact OD2-NZ 3.48Å
478	T	72	Confident	60.9	Low	53 Å²	53	88.5 Å²	88.5	33%	0.325	50%	0.499	S	S	.	.	S	Bend	trans	-86.5	-26.1	158.9	56.2	0	0	0	0	113.3	I413	I413-T478 PolarHBondContact N-O 3.43Å
479	T	81.7	Confident	63.4	Low	25 Å²	25	80.8 Å²	80.8	15%	0.153	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	127	178.8	-51.8	0	0	0	0	109.4	V411 K412 M460	V411-T479 CarbonylContact O-C 3.59Å; V411-T479 WeakPolarHBondContact O-CA 3.28Å; K412-T479 HydrophobicContact CB-CG2 4.06Å; K412-T479 HydrophobicContact CD-CG2 4.23Å; K412-T479 HydrophobicContact CG-CG2 4.19Å; K412-T479 WeakPolarHBondContact CG-OG1 3.49Å; M460-T479 HydrophobicContact CE-CG2 4.15Å; M460-T479 HydrophobicContact SD-CG2 3.56Å; M460-T479 VanDerWaalsContact SD-CG2 3.56Å
480	C	84.7	Confident	65.6	Low	16 Å²	16	76.2 Å²	76.2	11%	0.108	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	138.2	-179.1	-67.5	0	0	0	0	110.8	P395 R410 V411 Y482	P395-C480 HydrophobicContact CB-CB 4.1Å; R410-C480 WeakPolarHBondContact CA-O 3.26Å; V411-C480 PolarHBondContact N-O 2.92Å; V411-C480 PolarHBondContact O-N 3.42Å; C480-Y482 HydrophobicContact CB-CD2 4.21Å; C480-Y482 HydrophobicContact CB-CE1 4.4Å; C480-Y482 HydrophobicContact CB-CE2 3.36Å; C480-Y482 VanDerWaalsContact CB-CZ 3.47Å; C480-Y482 WeakPolarHBondContact CB-OH 3.4Å
481	D	86.4	Confident	67.5	Low	68 Å²	68	76.4 Å²	76.4	36%	0.364	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	126.9	170.4	-160.1	-36.7	0	0	0	109.1	Q409 R410 M460 T483	Q409-D481 VanDerWaalsContact O-OD1 3.1Å; R410-D481 HydrophobicContact CG-CB 4.41Å; R410-D481 IonicContact CZ-OD2 3.33Å; R410-D481 IonicContact NE-OD2 2.77Å; R410-D481 PolarHBondContact NE-OD2 2.72Å; R410-D481 IonicContact NH2-OD2 3.42Å; R410-D481 PolarHBondContact NH2-OD2 3.17Å; M460-D481 HydrophobicContact CE-CB 4.03Å; M460-D481 HydrophobicContact SD-CB 4.33Å; D481-T483 WeakPolarHBondContact OD1-CB 3.21Å; D481-T483 PolarHBondContact OD1-N 3.36Å; D481-T483 PolarHBondContact OD1-OG1 3.36Å
482	Y	88.3	Confident	69.2	Low	13 Å²	13	79.5 Å²	79.5	5%	0.051	42%	0.416	C	S	.	.			trans	-118.5	16.6	-179.8	-57.9	-84.5	0	0	0	111.2	P395 D396 F399 Q409 V411 C480 G484 H485 H488	P395-Y482 VanDerWaalsContact C-OH 3.29Å; P395-Y482 PolarHBondContact O-OH 3.45Å; D396-Y482 WeakPolarHBondContact CA-OH 3.42Å; D396-Y482 PolarHBondContact N-OH 3.02Å; D396-Y482 WeakPolarHBondContact OD1-CE1 3.37Å; D396-Y482 PolarHBondContact OD1-OH 2.97Å; F399-Y482 HydrophobicContact CB-CD1 4.31Å; F399-Y482 HydrophobicContact CB-CD2 4.15Å; F399-Y482 HydrophobicContact CB-CE1 3.96Å; F399-Y482 HydrophobicContact CB-CE2 3.77Å; F399-Y482 HydrophobicContact CB-CG 4.4Å; F399-Y482 HydrophobicContact CD1-CD1 4.01Å; F399-Y482 HydrophobicContact CD1-CE1 4.01Å; F399-Y482 AromaticContact CD2-CD1 3.54Å; F399-Y482 HydrophobicContact CD2-CD1 3.54Å; F399-Y482 AromaticContact CD2-CD2 3.63Å; F399-Y482 HydrophobicContact CD2-CD2 3.63Å; F399-Y482 HydrophobicContact CD2-CE1 4.07Å; F399-Y482 HydrophobicContact CD2-CE2 4.14Å; F399-Y482 AromaticContact CD2-CG 3.3Å; F399-Y482 HydrophobicContact CD2-CG 3.3Å; F399-Y482 HydrophobicContact CE1-CD1 4.3Å; F399-Y482 AromaticContact CE2-CD1 3.86Å; F399-Y482 HydrophobicContact CE2-CD1 3.86Å; F399-Y482 HydrophobicContact CE2-CD2 4.43Å; F399-Y482 AromaticContact CE2-CG 3.7Å; F399-Y482 HydrophobicContact CE2-CG 3.7Å; F399-Y482 AromaticContact CG-CD1 3.65Å; F399-Y482 HydrophobicContact CG-CD1 3.65Å; F399-Y482 HydrophobicContact CG-CD2 4.05Å; F399-Y482 AromaticContact CG-CE1 3.7Å; F399-Y482 HydrophobicContact CG-CE1 3.7Å; F399-Y482 HydrophobicContact CG-CE2 4.1Å; F399-Y482 AromaticContact CG-CG 3.83Å; F399-Y482 HydrophobicContact CG-CG 3.83Å; F399-Y482 AromaticContact CG-CZ 3.94Å; F399-Y482 HydrophobicContact CZ-CD1 4.25Å; Q409-Y482 CarbonylContact O-C 3.51Å; Q409-Y482 WeakPolarHBondContact O-CA 3.43Å; Q409-Y482 PolarHBondContact O-N 3.01Å; V411-Y482 HydrophobicContact CB-CE2 4.01Å; V411-Y482 HydrophobicContact CG2-CD2 4.14Å; V411-Y482 HydrophobicContact CG2-CE2 3.77Å; C480-Y482 HydrophobicContact CB-CD2 4.21Å; C480-Y482 HydrophobicContact CB-CE1 4.4Å; C480-Y482 HydrophobicContact CB-CE2 3.36Å; C480-Y482 VanDerWaalsContact CB-CZ 3.47Å; C480-Y482 WeakPolarHBondContact CB-OH 3.4Å; Y482-G484 PolarHBondContact O-N 3.45Å; Y482-G484 VanDerWaalsContact O-N 3.15Å; Y482-H485 WeakPolarHBondContact O-CB 3.49Å; Y482-H485 PolarHBondContact O-N 2.72Å; Y482-H488 PolarHBondContact O-CE1 3.39Å; Y482-H488 PolarHBondContact O-NE2 2.93Å; Y482-H488 VanDerWaalsContact O-NE2 3.16Å
483	T	83.8	Confident	70.4	Confident	80 Å²	80	81.8 Å²	81.8	49%	0.491	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	121	177.4	-59.7	0	0	0	0	110.2	Q409 D481 H485	Q409-T483 PolarHBondContact O-N 3.29Å; D481-T483 WeakPolarHBondContact OD1-CB 3.21Å; D481-T483 PolarHBondContact OD1-N 3.36Å; D481-T483 PolarHBondContact OD1-OG1 3.36Å; T483-H485 VanDerWaalsContact C-N 3.33Å; T483-H485 PolarHBondContact O-N 3.19Å
484	G	78.2	Confident	71.5	Confident	51 Å²	51	80 Å²	80	53%	0.526	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	8.3	-176.5	0	0	0	0	0	116.5	Y482 H488 K491	Y482-G484 PolarHBondContact O-N 3.45Å; Y482-G484 VanDerWaalsContact O-N 3.15Å; G484-H488 PolarHBondContact N-CE1 2.89Å; G484-K491 PolarHBondContact O-NZ 3.47Å
485	H	85.9	Confident	72.9	Confident	55 Å²	55	74.2 Å²	74.2	26%	0.255	38%	0.382	S	S	.	.			trans	-55.4	148.6	-174.1	-168.9	-115	0	0	0	114.7	F399 Y482 T483 L487 H488 K491	F399-H485 AromaticContact CE1-CE1 3.85Å; F399-H485 AromaticContact CE1-ND1 3.34Å; F399-H485 VanDerWaalsContact CE1-ND1 3.34Å; F399-H485 WeakPolarHBondContact CE1-ND1 3.34Å; F399-H485 HydrophobicContact CE2-CB 4.39Å; F399-H485 HydrophobicContact CZ-CB 4.09Å; F399-H485 AromaticContact CZ-CG 3.93Å; F399-H485 AromaticContact CZ-ND1 3.21Å; F399-H485 WeakPolarHBondContact CZ-ND1 3.41Å; Y482-H485 WeakPolarHBondContact O-CB 3.49Å; Y482-H485 PolarHBondContact O-N 2.72Å; T483-H485 VanDerWaalsContact C-N 3.33Å; T483-H485 PolarHBondContact O-N 3.19Å; H485-L487 PolarHBondContact O-N 2.97Å; H485-L487 VanDerWaalsContact O-N 3.13Å; H485-H488 PolarHBondContact N-CE1 2.76Å; H485-H488 PolarHBondContact N-ND1 3.34Å; H485-H488 WeakPolarHBondContact O-CB 3.4Å; H485-H488 PolarHBondContact O-N 2.61Å; H485-K491 PolarHBondContact O-NZ 3.44Å
486	K	84.3	Confident	74.4	Confident	122 Å²	122	76.6 Å²	76.6	53%	0.53	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-27.5	-174.3	66	164.5	-171.8	153.4	0	114.1	D566	K486-D566 VanDerWaalsContact CE-OD2 3.3Å; K486-D566 WeakPolarHBondContact CE-OD2 3.36Å; K486-D566 IonicContact NZ-OD1 2.73Å; K486-D566 IonicContact NZ-OD2 3.54Å; K486-D566 PolarHBondContact NZ-OD2 2.88Å
487	L	83.7	Confident	75.5	Confident	20 Å²	20	72.5 Å²	72.5	11%	0.105	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-1	-176.7	-55.2	-174.1	0	0	0	114.7	F399 H485 R489 D566	F399-L487 HydrophobicContact CE1-CB 3.95Å; F399-L487 HydrophobicContact CE1-CD1 4.21Å; F399-L487 HydrophobicContact CZ-CB 4.09Å; H485-L487 PolarHBondContact O-N 2.97Å; H485-L487 VanDerWaalsContact O-N 3.13Å; L487-R489 WeakPolarHBondContact O-CG 3.43Å; L487-R489 PolarHBondContact O-N 2.82Å; L487-D566 HydrophobicContact CD1-CB 3.98Å; L487-D566 HydrophobicContact CD2-CB 3.79Å; L487-D566 VanDerWaalsContact CD2-CG 3.42Å; L487-D566 WeakPolarHBondContact CD2-OD1 3.36Å
488	H	84.3	Confident	75.9	Confident	17 Å²	17	69.7 Å²	69.7	8%	0.079	35%	0.349	C	S	.	.			trans	-56.1	127.2	171.9	-75.2	168.5	0	0	0	111.7	F399 D407 V408 Y482 G484 H485 K491	F399-H488 AromaticContact CE2-CD2 3.96Å; F399-H488 AromaticContact CE2-NE2 3.91Å; D407-H488 HydrophobicContact CB-CB 4.28Å; D407-H488 VanDerWaalsContact OD1-CA 3.29Å; D407-H488 WeakPolarHBondContact OD1-CA 3.49Å; D407-H488 VanDerWaalsContact OD1-CB 3.28Å; D407-H488 WeakPolarHBondContact OD1-CB 3.3Å; D407-H488 IonicContact OD1-CD2 2.71Å; D407-H488 IonicContact OD1-CG 3.59Å; V408-H488 PolarHBondContact O-NE2 2.83Å; Y482-H488 PolarHBondContact O-CE1 3.39Å; Y482-H488 PolarHBondContact O-NE2 2.93Å; Y482-H488 VanDerWaalsContact O-NE2 3.16Å; G484-H488 PolarHBondContact N-CE1 2.89Å; H485-H488 PolarHBondContact N-CE1 2.76Å; H485-H488 PolarHBondContact N-ND1 3.34Å; H485-H488 WeakPolarHBondContact O-CB 3.4Å; H485-H488 PolarHBondContact O-N 2.61Å; H488-K491 HydrophobicContact CB-CD 3.71Å; H488-K491 HydrophobicContact CB-CG 3.82Å
489	R	81.4	Confident	75.8	Confident	23 Å²	23	70.8 Å²	70.8	9%	0.087	35%	0.349	C	S	.	.	S	Bend	trans	-97.4	-20.1	-171.8	-56.5	-175.1	-177.8	-158.4	3	112	G403 D407 L487 N497 H565 V577 S578	G403-R489 WeakPolarHBondContact O-CD 3.13Å; D407-R489 PolarHBondContact OD1-N 2.94Å; L487-R489 WeakPolarHBondContact O-CG 3.43Å; L487-R489 PolarHBondContact O-N 2.82Å; R489-N497 PolarHBondContact O-ND2 2.87Å; R489-H565 PolarHBondContact NH2-CD2 3.14Å; R489-H565 PolarHBondContact NH2-CE1 3.49Å; R489-H565 PolarHBondContact NH2-ND1 3.05Å; R489-H565 PolarHBondContact NH2-NE2 3.25Å; R489-V577 VanDerWaalsContact CZ-O 3.29Å; R489-V577 PolarHBondContact NH1-O 2.87Å; R489-V577 PolarHBondContact NH2-O 3.39Å; R489-S578 PolarHBondContact NH1-OG 2.85Å
490	F	79.5	Confident	75.6	Confident	10 Å²	10	74 Å²	74	4%	0.044	37%	0.365	C	S	.	.			trans	-109.4	-5.7	-168.6	-58	-81.4	0	0	0	114.7	V404 G406 D407 R492 N497 H498 I501	V404-F490 WeakPolarHBondContact O-CZ 3.38Å; G406-F490 VanDerWaalsContact CA-CD2 3.47Å; D407-F490 PolarHBondContact OD1-N 3.28Å; D407-F490 WeakPolarHBondContact OD2-CA 3.46Å; D407-F490 WeakPolarHBondContact OD2-CB 3.18Å; D407-F490 PolarHBondContact OD2-N 3.36Å; F490-R492 CarbonylContact O-C 3.6Å; F490-R492 VanDerWaalsContact O-C 3.25Å; F490-R492 PolarHBondContact O-N 2.9Å; F490-N497 HydrophobicContact CD1-CB 4.27Å; F490-N497 HydrophobicContact CE1-CB 3.94Å; F490-H498 AromaticContact CD1-CD2 3.89Å; F490-H498 AromaticContact CD1-CE1 3.69Å; F490-H498 AromaticContact CD1-CG 3.98Å; F490-H498 AromaticContact CD1-ND1 3.85Å; F490-H498 AromaticContact CD1-NE2 3.7Å; F490-H498 PolarHBondContact O-CE1 3.02Å; F490-I501 HydrophobicContact CE1-CD1 3.68Å; F490-I501 HydrophobicContact CE1-CG1 3.99Å; F490-I501 HydrophobicContact CZ-CD1 3.88Å; F490-I501 HydrophobicContact CZ-CG1 4.09Å
491	K	69.8	Low	75.5	Confident	117 Å²	117	74.2 Å²	74.2	51%	0.509	37%	0.365	S	S	.	.	S	Bend	trans	-35.4	-34.4	171.5	-83.3	173.5	168.2	170.7	0	116.6	D407 G484 H485 H488	D407-K491 PolarHBondContact OD2-N 2.91Å; G484-K491 PolarHBondContact O-NZ 3.47Å; H485-K491 PolarHBondContact O-NZ 3.44Å; H488-K491 HydrophobicContact CB-CD 3.71Å; H488-K491 HydrophobicContact CB-CG 3.82Å
492	R	64.4	Low	75.5	Confident	205 Å²	205	71.9 Å²	71.9	77%	0.774	35%	0.354	S	S	*	.	S	Bend	trans	-97.4	107.9	170.9	-69	-177.6	-177.2	168.3	1.8	109.4	F490 S495 H498	F490-R492 CarbonylContact O-C 3.6Å; F490-R492 VanDerWaalsContact O-C 3.25Å; F490-R492 PolarHBondContact O-N 2.9Å; R492-S495 WeakPolarHBondContact O-CB 3.37Å; R492-S495 PolarHBondContact O-N 2.97Å; R492-S495 VanDerWaalsContact O-N 3.12Å; R492-S495 PolarHBondContact O-OG 3.19Å; R492-H498 PolarHBondContact O-CE1 2.98Å
493	V	56.4	Low	75.5	Confident	121 Å²	121	73.7 Å²	73.7	73%	0.733	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	139.6	164.4	-172.8	0	0	0	0	108.6	S495	V493-S495 VanDerWaalsContact C-N 3.27Å; V493-S495 PolarHBondContact O-N 3.45Å
494	N	54.1	Low	75.8	Confident	135 Å²	135	71 Å²	71	72%	0.722	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	15.9	-174.4	-55.7	-24.7	0	0	0	116.5
495	S	64.4	Low	76.5	Confident	22 Å²	22	70.1 Å²	70.1	15%	0.154	34%	0.341	C	S	.	.			trans	-66.7	148	169	53.1	0	0	0	0	112.8	R492 V493 N497 H498	R492-S495 WeakPolarHBondContact O-CB 3.37Å; R492-S495 PolarHBondContact O-N 2.97Å; R492-S495 VanDerWaalsContact O-N 3.12Å; R492-S495 PolarHBondContact O-OG 3.19Å; V493-S495 VanDerWaalsContact C-N 3.27Å; V493-S495 PolarHBondContact O-N 3.45Å; S495-N497 PolarHBondContact O-N 3.14Å; S495-H498 WeakPolarHBondContact O-CB 3.4Å; S495-H498 PolarHBondContact O-N 3.36Å; S495-H498 PolarHBondContact O-ND1 3.09Å; S495-H498 PolarHBondContact OG-CE1 3.32Å; S495-H498 PolarHBondContact OG-ND1 3.37Å
496	R	68.2	Low	76.8	Confident	191 Å²	191	72.2 Å²	72.2	72%	0.721	35%	0.35	S	S	*	.	H	α-helix	trans	-48.2	-30.6	175.9	-72.1	-175.2	-179.3	170.2	-0.8	113.5	H498 F499 N500	R496-H498 VanDerWaalsContact C-N 3.25Å; R496-H498 PolarHBondContact O-N 3.42Å; R496-F499 PolarHBondContact O-N 3.01Å; R496-N500 PolarHBondContact O-N 2.93Å
497	N	71.7	Confident	77.3	Confident	60 Å²	60	66.9 Å²	66.9	32%	0.321	33%	0.327	S	S	.	.	H	α-helix	trans	-55.2	-37.3	177.2	-59.8	-15.4	0	0	0	112.7	R489 F490 S495 F499 N500 I501	R489-N497 PolarHBondContact O-ND2 2.87Å; F490-N497 HydrophobicContact CD1-CB 4.27Å; F490-N497 HydrophobicContact CE1-CB 3.94Å; S495-N497 PolarHBondContact O-N 3.14Å; N497-F499 VanDerWaalsContact C-N 3.32Å; N497-F499 PolarHBondContact O-N 2.88Å; N497-N500 PolarHBondContact O-N 2.86Å; N497-I501 WeakPolarHBondContact O-CG1 3.49Å; N497-I501 PolarHBondContact O-N 2.86Å
498	H	70.8	Confident	77.8	Confident	59 Å²	59	65.9 Å²	65.9	27%	0.273	32%	0.322	S	S	.	.	H	α-helix	trans	-64.9	-34	177.4	-70.5	85.8	0	0	0	113	F490 R492 S495 R496	F490-H498 AromaticContact CD1-CD2 3.89Å; F490-H498 AromaticContact CD1-CE1 3.69Å; F490-H498 AromaticContact CD1-CG 3.98Å; F490-H498 AromaticContact CD1-ND1 3.85Å; F490-H498 AromaticContact CD1-NE2 3.7Å; F490-H498 PolarHBondContact O-CE1 3.02Å; R492-H498 PolarHBondContact O-CE1 2.98Å; S495-H498 WeakPolarHBondContact O-CB 3.4Å; S495-H498 PolarHBondContact O-N 3.36Å; S495-H498 PolarHBondContact O-ND1 3.09Å; S495-H498 PolarHBondContact OG-CE1 3.32Å; S495-H498 PolarHBondContact OG-ND1 3.37Å; R496-H498 VanDerWaalsContact C-N 3.25Å; R496-H498 PolarHBondContact O-N 3.42Å
499	F	69.4	Low	78.1	Confident	77 Å²	77	67 Å²	67	34%	0.338	33%	0.327	S	S	.	.	H	α-helix	trans	-82.3	-19.8	-180	-59.3	-73.3	0	0	0	112.9	R496 N497 K581	R496-F499 PolarHBondContact O-N 3.01Å; N497-F499 VanDerWaalsContact C-N 3.32Å; N497-F499 PolarHBondContact O-N 2.88Å; F499-K581 PolarHBondContact O-NZ 2.77Å
500	N	77.7	Confident	78.6	Confident	91 Å²	91	65.9 Å²	65.9	49%	0.487	32%	0.323	S	S	.	.	H	α-helix	trans	-100.3	-0.8	-172.6	-70.7	-3.9	0	0	0	114.7	R496 N497 C502 K581	R496-N500 PolarHBondContact O-N 2.93Å; N497-N500 PolarHBondContact O-N 2.86Å; N500-C502 PolarHBondContact O-N 3.05Å; N500-K581 WeakPolarHBondContact O-CE 3.48Å
501	I	82.5	Confident	79	Confident	22 Å²	22	66.8 Å²	66.8	11%	0.113	33%	0.329	C	S	.	.			trans	-58	134.2	173.4	-48.6	-179.5	0	0	0	110.4	Y405 R433 F437 F490 N497 K581	Y405-I501 HydrophobicContact CD1-CG2 3.62Å; Y405-I501 HydrophobicContact CE1-CG2 3.84Å; R433-I501 VanDerWaalsContact CZ-CD1 3.45Å; F437-I501 HydrophobicContact CD2-CG2 4.42Å; F437-I501 HydrophobicContact CE2-CG2 4.12Å; F490-I501 HydrophobicContact CE1-CD1 3.68Å; F490-I501 HydrophobicContact CE1-CG1 3.99Å; F490-I501 HydrophobicContact CZ-CD1 3.88Å; F490-I501 HydrophobicContact CZ-CG1 4.09Å; N497-I501 WeakPolarHBondContact O-CG1 3.49Å; N497-I501 PolarHBondContact O-N 2.86Å; I501-K581 WeakPolarHBondContact O-CE 3.12Å; I501-K581 PolarHBondContact O-NZ 3.33Å
502	C	87	Confident	79.7	Confident	19 Å²	19	64.5 Å²	64.5	13%	0.128	32%	0.323	C	S	.	.			trans	-146.9	168.5	176.1	60.1	0	0	0	0	112.3	Y405 N500 F579 K581	Y405-C502 WeakPolarHBondContact CE1-O 3.34Å; Y405-C502 PolarHBondContact OH-O 2.55Å; N500-C502 PolarHBondContact O-N 3.05Å; C502-F579 PolarHBondContact SG-O 3.19Å; C502-K581 HydrophobicContact CB-CD 4.34Å; C502-K581 HydrophobicContact CB-CG 3.53Å
503	A	87.9	Confident	80.8	Confident	50 Å²	50	54.8 Å²	54.8	41%	0.413	29%	0.286	S	S	.	.			trans	-59.7	151.7	168.4	0	0	0	0	0	111.1	F437 S505	F437-A503 HydrophobicContact CD1-CB 3.72Å; F437-A503 HydrophobicContact CE1-CB 4.02Å; A503-S505 PolarHBondContact O-N 2.93Å
504	P	91	Very high	82	Confident	23 Å²	23	49.2 Å²	49.2	15%	0.149	25%	0.253	C	S	.	.			trans	-54.6	135.6	172.6	-28.4	39.3	0	0	0	111.6	Y405 F437 L438 I441 L554 F579	Y405-P504 VanDerWaalsContact OH-CD 3.32Å; Y405-P504 WeakPolarHBondContact OH-CD 3.46Å; Y405-P504 WeakPolarHBondContact OH-CG 3.34Å; F437-P504 WeakPolarHBondContact O-CD 3.36Å; F437-P504 WeakPolarHBondContact O-CG 3.32Å; L438-P504 HydrophobicContact CD2-CG 4.14Å; I441-P504 HydrophobicContact CG2-CG 4.12Å; P504-L554 HydrophobicContact CB-CD1 3.85Å; P504-F579 HydrophobicContact CB-CD1 4.3Å; P504-F579 HydrophobicContact CB-CD2 4.31Å; P504-F579 HydrophobicContact CB-CE1 3.99Å; P504-F579 HydrophobicContact CB-CE2 3.99Å; P504-F579 HydrophobicContact CB-CG 4.46Å; P504-F579 HydrophobicContact CB-CZ 3.83Å; P504-F579 HydrophobicContact CG-CD2 4.35Å; P504-F579 HydrophobicContact CG-CE2 3.97Å; P504-F579 HydrophobicContact CG-CZ 4.23Å
505	S	92.3	Very high	83.2	Confident	33 Å²	33	46.8 Å²	46.8	23%	0.231	24%	0.24	C	C	.	.			trans	-138.8	163.3	-179.9	76	0	0	0	0	110.6	A503 V507 A557 S580	A503-S505 PolarHBondContact O-N 2.93Å; S505-V507 PolarHBondContact O-N 2.92Å; S505-V507 PolarHBondContact OG-N 3.42Å; S505-V507 PolarHBondContact OG-O 3.39Å; S505-V507 VanDerWaalsContact OG-O 3.06Å; S505-A557 WeakPolarHBondContact O-CB 3.42Å; S505-S580 PolarHBondContact OG-O 2.83Å
506	K	93.1	Very high	83.8	Confident	100 Å²	100	49.8 Å²	49.8	44%	0.435	26%	0.261	S	S	.	.	S	Bend	trans	-67.5	-9.5	175.4	-57.6	-170	-178.1	-169.3	0	113.5	E550 F551 A552	K506-E550 WeakPolarHBondContact O-CA 3.43Å; K506-F551 PolarHBondContact O-N 3.24Å; K506-A552 PolarHBondContact NZ-O 3.37Å
507	V	93.7	Very high	84.5	Confident	9 Å²	9	42.3 Å²	42.3	6%	0.055	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	120.2	-175.8	-177.7	0	0	0	0	109.4	S505 L548 I549 E550 S580 L584	S505-V507 PolarHBondContact O-N 2.92Å; S505-V507 PolarHBondContact OG-N 3.42Å; S505-V507 PolarHBondContact OG-O 3.39Å; S505-V507 VanDerWaalsContact OG-O 3.06Å; V507-L548 HydrophobicContact CG1-CB 4.09Å; V507-L548 HydrophobicContact CG1-CD2 4.18Å; V507-I549 CarbonylContact C-O 3.48Å; V507-I549 WeakPolarHBondContact CA-O 3.42Å; V507-E550 HydrophobicContact CG2-CB 4.12Å; V507-E550 HydrophobicContact CG2-CG 3.93Å; V507-S580 WeakPolarHBondContact O-CB 3.18Å; V507-S580 PolarHBondContact O-N 3.04Å; V507-L584 HydrophobicContact CG1-CD1 3.95Å; V507-L584 HydrophobicContact CG1-CG 4.2Å; V507-L584 HydrophobicContact CG2-CB 4.5Å
508	L	93.3	Very high	85	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	137.2	174	-56.4	-174.5	0	0	0	110.3	L548 I549 F551 A557 A560 L561 V577 S578 F579	L508-L548 WeakPolarHBondContact O-CA 3.25Å; L508-I549 PolarHBondContact N-O 2.85Å; L508-I549 PolarHBondContact O-N 2.92Å; L508-F551 HydrophobicContact CB-CE2 4.47Å; L508-F551 HydrophobicContact CD1-CD2 4.23Å; L508-F551 HydrophobicContact CD1-CE2 3.55Å; L508-F551 HydrophobicContact CD1-CZ 4.25Å; L508-F551 HydrophobicContact CG-CD2 4.23Å; L508-F551 HydrophobicContact CG-CE2 3.87Å; L508-A557 WeakPolarHBondContact CD1-O 3.45Å; L508-A557 HydrophobicContact CD2-CB 4.16Å; L508-A557 HydrophobicContact CG-CB 4.35Å; L508-A560 HydrophobicContact CD1-CB 4.06Å; L508-L561 HydrophobicContact CD1-CB 4.12Å; L508-L561 HydrophobicContact CD2-CB 4.16Å; L508-L561 HydrophobicContact CD2-CD1 4.14Å; L508-V577 HydrophobicContact CB-CG1 3.94Å; L508-V577 HydrophobicContact CD1-CG1 3.69Å; L508-V577 HydrophobicContact CG-CG1 4.26Å; L508-S578 CarbonylContact C-O 3.53Å; L508-S578 WeakPolarHBondContact CA-O 3.48Å; L508-F579 HydrophobicContact CD2-CD1 3.69Å; L508-F579 HydrophobicContact CD2-CE1 3.97Å
509	H	91.7	Very high	85.8	Confident	39 Å²	39	43.8 Å²	43.8	18%	0.181	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	114.8	167.9	179.2	-124.5	0	0	0	108.9	T511 L548 S578	H509-T511 WeakPolarHBondContact CE1-CG2 3.18Å; H509-L548 HydrophobicContact CB-CD2 3.94Å; H509-S578 PolarHBondContact N-O 2.84Å; H509-S578 PolarHBondContact O-N 2.71Å
510	V	90.9	Very high	86.6	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	134	179.6	-172	0	0	0	0	108.6	L513 F526 M546 A547 I549 I575 V577	V510-L513 HydrophobicContact CG1-CD2 3.84Å; V510-L513 HydrophobicContact CG1-CG 4.21Å; V510-F526 HydrophobicContact CG1-CE2 4.44Å; V510-F526 HydrophobicContact CG1-CZ 4.32Å; V510-F526 HydrophobicContact CG2-CE1 4.44Å; V510-F526 HydrophobicContact CG2-CE2 4.15Å; V510-F526 HydrophobicContact CG2-CZ 3.63Å; V510-M546 VanDerWaalsContact O-CA 3.27Å; V510-M546 WeakPolarHBondContact O-CA 3.43Å; V510-A547 PolarHBondContact N-O 2.79Å; V510-A547 PolarHBondContact O-N 3.34Å; V510-I549 HydrophobicContact CG2-CD1 3.69Å; V510-I549 HydrophobicContact CG2-CG1 4.04Å; V510-I575 HydrophobicContact CG1-CB 4.14Å; V510-I575 HydrophobicContact CG1-CD1 4.18Å; V510-I575 HydrophobicContact CG1-CG2 4.31Å; V510-V577 HydrophobicContact CG1-CG2 4.47Å; V510-V577 HydrophobicContact CG2-CG1 4.46Å; V510-V577 HydrophobicContact CG2-CG2 4.4Å
511	T	88.2	Confident	87	Confident	30 Å²	30	44.2 Å²	44.2	18%	0.184	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	161.1	-177.6	57.2	0	0	0	0	111.1	H509 K545 M546 R576	H509-T511 WeakPolarHBondContact CE1-CG2 3.18Å; T511-K545 CarbonylContact C-O 3.58Å; T511-K545 WeakPolarHBondContact CA-O 3.44Å; T511-M546 HydrophobicContact CG2-CB 4.45Å; T511-M546 HydrophobicContact CG2-CG 3.95Å; T511-M546 HydrophobicContact CG2-SD 4.04Å; T511-R576 PolarHBondContact N-O 3.07Å; T511-R576 PolarHBondContact O-N 3.1Å; T511-R576 WeakPolarHBondContact OG1-CB 3.18Å; T511-R576 PolarHBondContact OG1-O 3.3Å
512	N	86.2	Confident	87.2	Confident	69 Å²	69	43.2 Å²	43.2	37%	0.369	25%	0.249	S	C	.	.			trans	67.3	37.4	-172.7	-159	56.5	0	0	0	112.8	K545 M573 H574	N512-K545 PolarHBondContact N-O 3.06Å; N512-M573 WeakPolarHBondContact O-CE 3.47Å; N512-H574 PolarHBondContact ND2-O 3.42Å
513	L	86.5	Confident	87.3	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.257	C	S	.	.			trans	-73.4	146.7	167.5	-63	174.3	0	0	0	110.1	V510 I517 L522 K545 A547 I569 I575	V510-L513 HydrophobicContact CG1-CD2 3.84Å; V510-L513 HydrophobicContact CG1-CG 4.21Å; L513-I517 HydrophobicContact CB-CG2 4.07Å; L513-I517 HydrophobicContact CD2-CG2 4.45Å; L513-L522 HydrophobicContact CD1-CD2 3.94Å; L513-L522 HydrophobicContact CD2-CD1 3.74Å; L513-K545 PolarHBondContact N-O 3.24Å; L513-K545 VanDerWaalsContact N-O 3.12Å; L513-A547 HydrophobicContact CD1-CB 3.63Å; L513-I569 HydrophobicContact CD2-CD1 3.97Å; L513-I575 HydrophobicContact CD2-CG2 3.82Å
514	P	82.4	Confident	87.3	Confident	5 Å²	5	45.8 Å²	45.8	3%	0.032	26%	0.256	C	S	.	.			trans	-74.1	150.9	172	34.2	-36	0	0	0	110.4	S516 I517 I569 E570 M573	P514-S516 WeakPolarHBondContact CB-OG 3.33Å; P514-S516 PolarHBondContact O-N 3.03Å; P514-I517 HydrophobicContact CG-CB 4.1Å; P514-I517 HydrophobicContact CG-CG2 4.32Å; P514-I517 WeakPolarHBondContact O-CG2 3.34Å; P514-I517 PolarHBondContact O-N 2.73Å; P514-I569 HydrophobicContact CG-CG2 3.88Å; P514-E570 HydrophobicContact CB-CG 4.49Å; P514-E570 WeakPolarHBondContact CB-OE1 3.41Å; P514-E570 WeakPolarHBondContact CB-OE2 3.39Å; P514-E570 HydrophobicContact CG-CG 4.38Å; P514-M573 HydrophobicContact CB-CE 4.09Å; P514-M573 HydrophobicContact CB-SD 4.17Å
515	D	78.9	Confident	87.1	Confident	84 Å²	84	46.2 Å²	46.2	45%	0.449	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-4.5	-175.7	-64.6	-54.8	0	0	0	113.7	K544 K545	D515-K544 HydrophobicContact CB-CD 4.45Å; D515-K544 WeakPolarHBondContact OD1-CB 3.49Å; D515-K545 WeakPolarHBondContact OD1-CE 3.44Å; D515-K545 IonicContact OD1-NZ 3.5Å; D515-K545 WeakPolarHBondContact OD2-CE 3.18Å; D515-K545 IonicContact OD2-NZ 3.89Å; D515-K545 PolarHBondContact OD2-NZ 3.09Å
516	S	76.9	Confident	86.9	Confident	85 Å²	85	44.6 Å²	44.6	59%	0.594	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-23.8	-178.1	50	0	0	0	0	114.6	P514 E570	P514-S516 WeakPolarHBondContact CB-OG 3.33Å; P514-S516 PolarHBondContact O-N 3.03Å; S516-E570 PolarHBondContact OG-OE1 3.23Å
517	I	81.8	Confident	86.7	Confident	33 Å²	33	42.4 Å²	42.4	17%	0.169	24%	0.239	C	C	.	.			trans	-76.4	134.8	-170.9	-159	167.4	0	0	0	111.5	L513 P514 L522 I569	L513-I517 HydrophobicContact CB-CG2 4.07Å; L513-I517 HydrophobicContact CD2-CG2 4.45Å; P514-I517 HydrophobicContact CG-CB 4.1Å; P514-I517 HydrophobicContact CG-CG2 4.32Å; P514-I517 WeakPolarHBondContact O-CG2 3.34Å; P514-I517 PolarHBondContact O-N 2.73Å; I517-L522 HydrophobicContact CD1-CB 4.03Å; I517-L522 HydrophobicContact CD1-CD1 4.16Å; I517-L522 HydrophobicContact CG1-CB 4.27Å; I517-I569 HydrophobicContact CD1-CD1 4.04Å; I517-I569 HydrophobicContact CD1-CG2 4.23Å
518	D	83.9	Confident	86.3	Confident	84 Å²	84	48.7 Å²	48.7	45%	0.449	27%	0.272	S	S	.	.			trans	-95.4	165.6	171	58.4	12.2	0	0	0	111.7	D520 S521 L522	D518-D520 PolarHBondContact O-N 2.68Å; D518-S521 PolarHBondContact O-N 3.07Å; D518-S521 WeakPolarHBondContact OD1-CA 3.4Å; D518-S521 WeakPolarHBondContact OD1-CB 3.36Å; D518-S521 PolarHBondContact OD1-N 2.88Å; D518-S521 PolarHBondContact OD1-OG 2.8Å; D518-L522 WeakPolarHBondContact O-CB 3.49Å; D518-L522 PolarHBondContact O-N 2.98Å
519	D	85.9	Confident	85.5	Confident	67 Å²	67	50.3 Å²	50.3	36%	0.358	29%	0.289	S	S	.	.	H	α-helix	trans	-62	-32.1	-177.7	-70	-20.3	0	0	0	111.4	K523 I537 S539	D519-K523 WeakPolarHBondContact O-CB 3.31Å; D519-K523 PolarHBondContact O-N 3.48Å; D519-I537 HydrophobicContact CB-CB 4.45Å; D519-I537 HydrophobicContact CB-CG2 3.96Å; D519-I537 WeakPolarHBondContact O-CD1 3.34Å; D519-S539 WeakPolarHBondContact OD1-CB 3.49Å; D519-S539 PolarHBondContact OD1-OG 3.39Å
520	D	86.2	Confident	84.7	Confident	119 Å²	119	49.5 Å²	49.5	64%	0.636	29%	0.286	S	S	*	.	H	α-helix	trans	-74.8	-39.6	-179.7	-68.7	-44.2	0	0	0	113.3	D518 K523 S524	D518-D520 PolarHBondContact O-N 2.68Å; D520-K523 WeakPolarHBondContact O-CB 3.3Å; D520-K523 PolarHBondContact O-N 2.58Å; D520-S524 WeakPolarHBondContact O-CB 3.43Å; D520-S524 PolarHBondContact O-N 2.76Å; D520-S524 PolarHBondContact O-OG 3.14Å
521	S	86.8	Confident	84.1	Confident	58 Å²	58	57.2 Å²	57.2	41%	0.406	33%	0.328	S	S	.	.	H	α-helix	trans	-67.9	-40.4	171.5	-59.1	0	0	0	0	110.8	D518 K523 S524 V525	D518-S521 PolarHBondContact O-N 3.07Å; D518-S521 WeakPolarHBondContact OD1-CA 3.4Å; D518-S521 WeakPolarHBondContact OD1-CB 3.36Å; D518-S521 PolarHBondContact OD1-N 2.88Å; D518-S521 PolarHBondContact OD1-OG 2.8Å; S521-K523 VanDerWaalsContact C-N 3.31Å; S521-K523 PolarHBondContact O-N 3.31Å; S521-S524 PolarHBondContact O-N 2.96Å; S521-V525 WeakPolarHBondContact O-CG2 3.25Å; S521-V525 PolarHBondContact O-N 3.18Å
522	L	87.3	Confident	83.8	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-61.4	-41.4	175.4	-177.1	60.9	0	0	0	111.3	L513 I517 D518 V525 F526 I537 A547 I549	L513-L522 HydrophobicContact CD1-CD2 3.94Å; L513-L522 HydrophobicContact CD2-CD1 3.74Å; I517-L522 HydrophobicContact CD1-CB 4.03Å; I517-L522 HydrophobicContact CD1-CD1 4.16Å; I517-L522 HydrophobicContact CG1-CB 4.27Å; D518-L522 WeakPolarHBondContact O-CB 3.49Å; D518-L522 PolarHBondContact O-N 2.98Å; L522-V525 PolarHBondContact O-N 3.26Å; L522-F526 HydrophobicContact CD1-CD2 3.96Å; L522-F526 HydrophobicContact CD1-CE2 3.79Å; L522-F526 HydrophobicContact CG-CD2 4.5Å; L522-F526 WeakPolarHBondContact O-CD2 3.49Å; L522-F526 PolarHBondContact O-N 3.45Å; L522-I537 HydrophobicContact CD2-CG2 4.17Å; L522-I537 HydrophobicContact CG-CD1 4.46Å; L522-A547 HydrophobicContact CD2-CB 3.69Å; L522-I549 HydrophobicContact CD1-CD1 4.25Å; L522-I549 HydrophobicContact CD2-CD1 4.03Å; L522-I549 HydrophobicContact CD2-CG1 4.45Å; L522-I549 HydrophobicContact CG-CD1 3.95Å
523	K	88.9	Confident	83.6	Confident	65 Å²	65	58.4 Å²	58.4	28%	0.283	33%	0.33	S	S	.	.	H	α-helix	trans	-57.2	-53.5	171.8	-167.2	179.9	176.4	179.6	0	111.4	D519 D520 S521 V525 F526 E527 V534 I537	D519-K523 WeakPolarHBondContact O-CB 3.31Å; D519-K523 PolarHBondContact O-N 3.48Å; D520-K523 WeakPolarHBondContact O-CB 3.3Å; D520-K523 PolarHBondContact O-N 2.58Å; S521-K523 VanDerWaalsContact C-N 3.31Å; S521-K523 PolarHBondContact O-N 3.31Å; K523-V525 VanDerWaalsContact C-N 3.28Å; K523-V525 PolarHBondContact O-N 2.97Å; K523-F526 PolarHBondContact O-N 2.88Å; K523-F526 VanDerWaalsContact O-N 3.09Å; K523-E527 VanDerWaalsContact CE-CD 3.41Å; K523-E527 WeakPolarHBondContact CE-OE1 3.35Å; K523-E527 VanDerWaalsContact CE-OE2 3.29Å; K523-E527 WeakPolarHBondContact CE-OE2 3.41Å; K523-E527 HydrophobicContact CG-CG 4.24Å; K523-E527 IonicContact NZ-OE1 3.95Å; K523-E527 WeakPolarHBondContact O-CG 3.36Å; K523-E527 PolarHBondContact O-N 3.25Å; K523-V534 WeakPolarHBondContact CE-O 3.48Å; K523-V534 HydrophobicContact CG-CB 3.97Å; K523-V534 HydrophobicContact CG-CG1 4.2Å; K523-I537 HydrophobicContact CB-CD1 3.58Å; K523-I537 HydrophobicContact CG-CD1 4.16Å
524	S	86.9	Confident	83.7	Confident	58 Å²	58	58.6 Å²	58.6	41%	0.406	33%	0.331	S	S	.	.	H	α-helix	trans	-58	-39.2	-178.7	-57.5	0	0	0	0	112.4	D520 S521 N528	D520-S524 WeakPolarHBondContact O-CB 3.43Å; D520-S524 PolarHBondContact O-N 2.76Å; D520-S524 PolarHBondContact O-OG 3.14Å; S521-S524 PolarHBondContact O-N 2.96Å; S524-N528 WeakPolarHBondContact O-CB 3.39Å; S524-N528 PolarHBondContact O-N 3.31Å; S524-N528 PolarHBondContact O-ND2 2.78Å; S524-N528 VanDerWaalsContact O-ND2 3.07Å
525	V	87.9	Confident	84	Confident	32 Å²	32	61.3 Å²	61.3	19%	0.194	35%	0.348	C	S	.	.	H	α-helix	trans	-64.2	-40.5	176.7	166.5	0	0	0	0	112	S521 L522 K523 G529 M564 Y567 I569	S521-V525 WeakPolarHBondContact O-CG2 3.25Å; S521-V525 PolarHBondContact O-N 3.18Å; L522-V525 PolarHBondContact O-N 3.26Å; K523-V525 VanDerWaalsContact C-N 3.28Å; K523-V525 PolarHBondContact O-N 2.97Å; V525-G529 PolarHBondContact O-N 3.09Å; V525-M564 HydrophobicContact CG1-CE 3.56Å; V525-M564 WeakPolarHBondContact O-CE 3.47Å; V525-Y567 HydrophobicContact CG1-CD1 4.19Å; V525-Y567 HydrophobicContact CG1-CE1 3.79Å; V525-I569 HydrophobicContact CG1-CD1 4.43Å
526	F	88.4	Confident	84.5	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-75.2	-42.1	178	-88.8	-98.7	0	0	0	112.9	V510 L522 K523 G529 T530 V534 I549 F551 A560 M564 I575 V577	V510-F526 HydrophobicContact CG1-CE2 4.44Å; V510-F526 HydrophobicContact CG1-CZ 4.32Å; V510-F526 HydrophobicContact CG2-CE1 4.44Å; V510-F526 HydrophobicContact CG2-CE2 4.15Å; V510-F526 HydrophobicContact CG2-CZ 3.63Å; L522-F526 HydrophobicContact CD1-CD2 3.96Å; L522-F526 HydrophobicContact CD1-CE2 3.79Å; L522-F526 HydrophobicContact CG-CD2 4.5Å; L522-F526 WeakPolarHBondContact O-CD2 3.49Å; L522-F526 PolarHBondContact O-N 3.45Å; K523-F526 PolarHBondContact O-N 2.88Å; K523-F526 VanDerWaalsContact O-N 3.09Å; F526-G529 PolarHBondContact O-N 3.45Å; F526-T530 WeakPolarHBondContact O-CB 3.46Å; F526-T530 WeakPolarHBondContact O-CG2 3.43Å; F526-T530 PolarHBondContact O-N 3.49Å; F526-T530 PolarHBondContact O-OG1 2.98Å; F526-V534 HydrophobicContact CB-CG2 3.93Å; F526-I549 HydrophobicContact CD1-CD1 4.23Å; F526-I549 HydrophobicContact CD2-CD1 3.56Å; F526-I549 HydrophobicContact CE1-CD1 4.15Å; F526-I549 HydrophobicContact CE2-CD1 3.49Å; F526-I549 VanDerWaalsContact CE2-CD1 3.49Å; F526-I549 HydrophobicContact CG-CD1 3.95Å; F526-I549 HydrophobicContact CZ-CD1 3.8Å; F526-F551 AromaticContact CD1-CZ 3.88Å; F526-F551 HydrophobicContact CD1-CZ 3.88Å; F526-A560 HydrophobicContact CD1-CB 4.48Å; F526-M564 HydrophobicContact CD1-CB 4.26Å; F526-M564 HydrophobicContact CD1-CG 3.68Å; F526-M564 HydrophobicContact CD2-CE 4.41Å; F526-M564 HydrophobicContact CE1-CB 3.64Å; F526-M564 HydrophobicContact CE1-CG 3.6Å; F526-M564 HydrophobicContact CG-CG 4.35Å; F526-M564 HydrophobicContact CZ-CB 3.89Å; F526-M564 HydrophobicContact CZ-CG 4.17Å; F526-I575 HydrophobicContact CE2-CD1 3.94Å; F526-I575 HydrophobicContact CZ-CD1 3.9Å; F526-V577 HydrophobicContact CZ-CG2 4.13Å
527	E	88.2	Confident	85.1	Confident	54 Å²	54	60.9 Å²	60.9	25%	0.252	33%	0.33	S	S	.	.	H	α-helix	trans	-65.6	-44.6	178.9	-65.1	-170.4	142.2	0	0	110.9	K523 G529 D531 H533 V534	K523-E527 VanDerWaalsContact CE-CD 3.41Å; K523-E527 WeakPolarHBondContact CE-OE1 3.35Å; K523-E527 VanDerWaalsContact CE-OE2 3.29Å; K523-E527 WeakPolarHBondContact CE-OE2 3.41Å; K523-E527 HydrophobicContact CG-CG 4.24Å; K523-E527 IonicContact NZ-OE1 3.95Å; K523-E527 WeakPolarHBondContact O-CG 3.36Å; K523-E527 PolarHBondContact O-N 3.25Å; E527-G529 VanDerWaalsContact C-N 3.3Å; E527-G529 PolarHBondContact O-N 3.34Å; E527-D531 PolarHBondContact O-N 2.83Å; E527-H533 IonicContact OE1-CE1 3.67Å; E527-H533 IonicContact OE1-CG 2.69Å; E527-H533 IonicContact OE1-ND1 3.16Å; E527-H533 PolarHBondContact OE1-ND1 3Å; E527-V534 HydrophobicContact CG-CB 4.25Å; E527-V534 HydrophobicContact CG-CG2 3.93Å; E527-V534 PolarHBondContact OE1-N 3.26Å; E527-V534 VanDerWaalsContact OE1-N 3.09Å
528	N	84.7	Confident	85.4	Confident	141 Å²	141	64.2 Å²	64.2	75%	0.754	34%	0.343	S	S	*	.	H	α-helix	trans	-67.2	-25.9	175.9	-70.1	-27	0	0	0	114	S524	S524-N528 WeakPolarHBondContact O-CB 3.39Å; S524-N528 PolarHBondContact O-N 3.31Å; S524-N528 PolarHBondContact O-ND2 2.78Å; S524-N528 VanDerWaalsContact O-ND2 3.07Å
529	G	77.4	Confident	85.3	Confident	34 Å²	34	61.9 Å²	61.9	35%	0.351	33%	0.333	S	S	.	.	H	α-helix	trans	-89.4	-13.7	-175.5	0	0	0	0	0	114.9	V525 F526 E527	V525-G529 PolarHBondContact O-N 3.09Å; F526-G529 PolarHBondContact O-N 3.45Å; E527-G529 VanDerWaalsContact C-N 3.3Å; E527-G529 PolarHBondContact O-N 3.34Å
530	T	74.9	Confident	85.1	Confident	21 Å²	21	62.7 Å²	62.7	13%	0.129	33%	0.333	C	S	.	.	H	α-helix	trans	-139.2	-8.6	-164.2	70.5	0	0	0	0	115.4	F526 C532 A560 A563 M564	F526-T530 WeakPolarHBondContact O-CB 3.46Å; F526-T530 WeakPolarHBondContact O-CG2 3.43Å; F526-T530 PolarHBondContact O-N 3.49Å; F526-T530 PolarHBondContact O-OG1 2.98Å; T530-C532 PolarHBondContact O-N 2.95Å; T530-C532 PolarHBondContact O-SG 3.38Å; T530-C532 WeakPolarHBondContact OG1-CB 3.43Å; T530-C532 PolarHBondContact OG1-N 3.05Å; T530-A560 HydrophobicContact CG2-CB 3.88Å; T530-A563 HydrophobicContact CG2-CB 3.99Å; T530-M564 HydrophobicContact CG2-CG 3.45Å; T530-M564 VanDerWaalsContact CG2-CG 3.45Å; T530-M564 HydrophobicContact CG2-SD 3.73Å
531	D	77.3	Confident	84.1	Confident	163 Å²	163	66.9 Å²	66.9	87%	0.872	35%	0.346	S	S	*	.	S	Bend	trans	53.3	15.6	-168.1	-60	-37.6	0	0	0	114.1	E527	E527-D531 PolarHBondContact O-N 2.83Å
532	C	82.8	Confident	82.8	Confident	15 Å²	15	69.3 Å²	69.3	10%	0.101	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-101.3	143.3	-178.9	-59.6	0	0	0	0	110.9	T530 F551 E556	T530-C532 PolarHBondContact O-N 2.95Å; T530-C532 PolarHBondContact O-SG 3.38Å; T530-C532 WeakPolarHBondContact OG1-CB 3.43Å; T530-C532 PolarHBondContact OG1-N 3.05Å; C532-F551 HydrophobicContact CB-CD1 3.97Å; C532-F551 HydrophobicContact CB-CE1 4.01Å; C532-E556 HydrophobicContact CB-CB 4.06Å; C532-E556 HydrophobicContact CB-CG 4.03Å
533	H	82.4	Confident	81.8	Confident	109 Å²	109	72.8 Å²	72.8	51%	0.505	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-85.7	126.5	180	-171.9	35.7	0	0	0	112	E527	E527-H533 IonicContact OE1-CE1 3.67Å; E527-H533 IonicContact OE1-CG 2.69Å; E527-H533 IonicContact OE1-ND1 3.16Å; E527-H533 PolarHBondContact OE1-ND1 3Å
534	V	87.9	Confident	80.7	Confident	3 Å²	3	75.9 Å²	75.9	2%	0.018	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	118.1	176.8	174.2	0	0	0	0	109.7	K523 F526 E527 I537 I549 F551	K523-V534 WeakPolarHBondContact CE-O 3.48Å; K523-V534 HydrophobicContact CG-CB 3.97Å; K523-V534 HydrophobicContact CG-CG1 4.2Å; F526-V534 HydrophobicContact CB-CG2 3.93Å; E527-V534 HydrophobicContact CG-CB 4.25Å; E527-V534 HydrophobicContact CG-CG2 3.93Å; E527-V534 PolarHBondContact OE1-N 3.26Å; E527-V534 VanDerWaalsContact OE1-N 3.09Å; V534-I537 HydrophobicContact CG1-CD1 3.88Å; V534-I537 HydrophobicContact CG1-CG1 3.59Å; V534-I549 HydrophobicContact CB-CG2 4.42Å; V534-I549 HydrophobicContact CG1-CG2 3.57Å; V534-I549 HydrophobicContact CG2-CG2 4Å; V534-F551 HydrophobicContact CG2-CE1 3.8Å; V534-F551 HydrophobicContact CG2-CZ 4.07Å
535	T	89.4	Confident	80.4	Confident	63 Å²	63	77.4 Å²	77.4	39%	0.387	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-43.6	-175.8	61.7	0	0	0	0	112.3	E550 A552	T535-E550 PolarHBondContact N-O 3.22Å; T535-E550 WeakPolarHBondContact OG1-CB 3.31Å; T535-E550 WeakPolarHBondContact OG1-CG 3.29Å; T535-E550 PolarHBondContact OG1-O 3.45Å; T535-E550 VanDerWaalsContact OG1-O 3.07Å; T535-A552 HydrophobicContact CG2-CB 4.14Å
536	R	88.5	Confident	80.4	Confident	123 Å²	123	78.1 Å²	78.1	46%	0.464	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	145.2	-179	-62.9	-170	-69.9	175	8.2	111.5	I549 E550 L584	R536-I549 WeakPolarHBondContact O-CA 3.33Å; R536-E550 HydrophobicContact CB-CB 4.27Å; R536-E550 IonicContact CZ-OE2 3.97Å; R536-E550 IonicContact NE-OE2 2.76Å; R536-E550 PolarHBondContact NE-OE2 3.01Å; R536-E550 IonicContact NH2-OE1 2.85Å; R536-E550 IonicContact NH2-OE2 3.53Å; R536-E550 PolarHBondContact NH2-OE2 2.91Å; R536-E550 PolarHBondContact O-N 3.09Å; R536-L584 HydrophobicContact CB-CD1 4.4Å; R536-L584 PolarHBondContact NH1-O 2.95Å; R536-L584 PolarHBondContact NH2-O 3.24Å
537	I	89.2	Confident	80.4	Confident	37 Å²	37	78.1 Å²	78.1	19%	0.19	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	148.1	172	-62.9	-178.1	0	0	0	109.1	D519 L522 K523 V534 L548 I549	D519-I537 HydrophobicContact CB-CB 4.45Å; D519-I537 HydrophobicContact CB-CG2 3.96Å; D519-I537 WeakPolarHBondContact O-CD1 3.34Å; L522-I537 HydrophobicContact CD2-CG2 4.17Å; L522-I537 HydrophobicContact CG-CD1 4.46Å; K523-I537 HydrophobicContact CB-CD1 3.58Å; K523-I537 HydrophobicContact CG-CD1 4.16Å; V534-I537 HydrophobicContact CG1-CD1 3.88Å; V534-I537 HydrophobicContact CG1-CG1 3.59Å; I537-L548 CarbonylContact C-O 3.44Å; I537-L548 WeakPolarHBondContact CA-O 3.4Å; I537-I549 HydrophobicContact CG1-CG1 4.28Å; I537-I549 HydrophobicContact CG1-CG2 4.28Å
538	K	87.6	Confident	80.6	Confident	103 Å²	103	75.9 Å²	75.9	45%	0.448	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	102.3	172.1	-175.4	179.1	-175.5	172.1	0	110	A547 L548 L584	K538-A547 WeakPolarHBondContact O-CA 3.34Å; K538-L548 PolarHBondContact N-O 2.85Å; K538-L548 PolarHBondContact O-N 3.22Å; K538-L584 HydrophobicContact CB-CD2 3.33Å; K538-L584 HydrophobicContact CD-CD2 3.48Å; K538-L584 VanDerWaalsContact CD-CD2 3.48Å; K538-L584 HydrophobicContact CG-CD2 4.11Å
539	S	83.7	Confident	81	Confident	35 Å²	35	69.1 Å²	69.1	25%	0.245	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	140.3	170.8	-68.9	0	0	0	0	112	D519 K541	D519-S539 WeakPolarHBondContact OD1-CB 3.49Å; D519-S539 PolarHBondContact OD1-OG 3.39Å; S539-K541 PolarHBondContact O-N 3.03Å
540	F	79.8	Confident	81.7	Confident	83 Å²	83	69.1 Å²	69.1	36%	0.364	35%	0.348	S	S	.	.			trans	-80.1	102.5	-178.8	-74.6	-82.6	0	0	0	111	A542 D543 K544 M546 L548	F540-A542 PolarHBondContact O-N 2.97Å; F540-D543 CarbonylContact O-C 3.6Å; F540-D543 PolarHBondContact O-N 2.93Å; F540-D543 VanDerWaalsContact O-O 3.11Å; F540-K544 PolarHBondContact O-N 3.06Å; F540-M546 HydrophobicContact CD2-CB 3.83Å; F540-M546 WeakPolarHBondContact CD2-O 3.21Å; F540-M546 PolarHBondContact N-O 2.96Å; F540-L548 HydrophobicContact CE2-CD1 4.41Å; F540-L548 HydrophobicContact CE2-CD2 4.31Å; F540-L548 HydrophobicContact CE2-CG 3.82Å; F540-L548 HydrophobicContact CZ-CD1 4.02Å; F540-L548 HydrophobicContact CZ-CG 3.94Å
541	K	65.8	Low	82.6	Confident	207 Å²	207	68.2 Å²	68.2	90%	0.9	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-23.8	179.3	-63.5	-172.4	178.9	-175.9	0	114.9	S539	S539-K541 PolarHBondContact O-N 3.03Å
542	A	60.4	Low	83.2	Confident	110 Å²	110	62.7 Å²	62.7	91%	0.909	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-20.5	179	0	0	0	0	0	114.2	F540	F540-A542 PolarHBondContact O-N 2.97Å
543	D	66.3	Low	83.6	Confident	72 Å²	72	64.9 Å²	64.9	39%	0.385	33%	0.329	S	S	.	.	S	Bend	trans	-146.8	86	178.3	-166.6	-16.8	0	0	0	107.4	F540 K545 M546	F540-D543 CarbonylContact O-C 3.6Å; F540-D543 PolarHBondContact O-N 2.93Å; F540-D543 VanDerWaalsContact O-O 3.11Å; D543-K545 PolarHBondContact O-N 2.93Å; D543-M546 PolarHBondContact O-N 3.46Å; D543-M546 WeakPolarHBondContact OD2-CE 3.26Å
544	K	65.2	Low	84.1	Confident	131 Å²	131	61.9 Å²	61.9	57%	0.57	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-7	-170.2	-73	-171.8	172.1	-166.1	0	114.8	D515 F540 M546	D515-K544 HydrophobicContact CB-CD 4.45Å; D515-K544 WeakPolarHBondContact OD1-CB 3.49Å; F540-K544 PolarHBondContact O-N 3.06Å; K544-M546 VanDerWaalsContact C-N 3.3Å; K544-M546 PolarHBondContact O-N 3.38Å
545	K	79.8	Confident	84.3	Confident	90 Å²	90	64.5 Å²	64.5	39%	0.391	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	6.5	-176.1	-53.6	-167.9	176.9	-164.2	0	112.9	T511 N512 L513 D515 D543	T511-K545 CarbonylContact C-O 3.58Å; T511-K545 WeakPolarHBondContact CA-O 3.44Å; N512-K545 PolarHBondContact N-O 3.06Å; L513-K545 PolarHBondContact N-O 3.24Å; L513-K545 VanDerWaalsContact N-O 3.12Å; D515-K545 WeakPolarHBondContact OD1-CE 3.44Å; D515-K545 IonicContact OD1-NZ 3.5Å; D515-K545 WeakPolarHBondContact OD2-CE 3.18Å; D515-K545 IonicContact OD2-NZ 3.89Å; D515-K545 PolarHBondContact OD2-NZ 3.09Å; D543-K545 PolarHBondContact O-N 2.93Å
546	M	87.8	Confident	84.5	Confident	47 Å²	47	63.7 Å²	63.7	23%	0.232	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	144.1	-175.1	-49	-169.2	-164.9	0	0	112.5	V510 T511 F540 D543 K544	V510-M546 VanDerWaalsContact O-CA 3.27Å; V510-M546 WeakPolarHBondContact O-CA 3.43Å; T511-M546 HydrophobicContact CG2-CB 4.45Å; T511-M546 HydrophobicContact CG2-CG 3.95Å; T511-M546 HydrophobicContact CG2-SD 4.04Å; F540-M546 HydrophobicContact CD2-CB 3.83Å; F540-M546 WeakPolarHBondContact CD2-O 3.21Å; F540-M546 PolarHBondContact N-O 2.96Å; D543-M546 PolarHBondContact O-N 3.46Å; D543-M546 WeakPolarHBondContact OD2-CE 3.26Å; K544-M546 VanDerWaalsContact C-N 3.3Å; K544-M546 PolarHBondContact O-N 3.38Å
547	A	90.4	Very high	84.7	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	157.8	172.9	0	0	0	0	0	111.7	V510 L513 L522 K538	V510-A547 PolarHBondContact N-O 2.79Å; V510-A547 PolarHBondContact O-N 3.34Å; L513-A547 HydrophobicContact CD1-CB 3.63Å; L522-A547 HydrophobicContact CD2-CB 3.69Å; K538-A547 WeakPolarHBondContact O-CA 3.34Å
548	L	92.2	Very high	84.9	Confident	6 Å²	6	56 Å²	56	3%	0.031	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	138.3	163.1	-63.4	179	0	0	0	109.5	V507 L508 H509 I537 K538 F540 S580 L584	V507-L548 HydrophobicContact CG1-CB 4.09Å; V507-L548 HydrophobicContact CG1-CD2 4.18Å; L508-L548 WeakPolarHBondContact O-CA 3.25Å; H509-L548 HydrophobicContact CB-CD2 3.94Å; I537-L548 CarbonylContact C-O 3.44Å; I537-L548 WeakPolarHBondContact CA-O 3.4Å; K538-L548 PolarHBondContact N-O 2.85Å; K538-L548 PolarHBondContact O-N 3.22Å; F540-L548 HydrophobicContact CE2-CD1 4.41Å; F540-L548 HydrophobicContact CE2-CD2 4.31Å; F540-L548 HydrophobicContact CE2-CG 3.82Å; F540-L548 HydrophobicContact CZ-CD1 4.02Å; F540-L548 HydrophobicContact CZ-CG 3.94Å; L548-S580 WeakPolarHBondContact CD2-OG 3.29Å; L548-L584 HydrophobicContact CB-CD1 3.76Å; L548-L584 HydrophobicContact CB-CD2 3.94Å; L548-L584 HydrophobicContact CB-CG 3.87Å; L548-L584 HydrophobicContact CD1-CD2 4.28Å; L548-L584 HydrophobicContact CD1-CG 4.25Å
549	I	92.4	Very high	85.2	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	129.2	177.6	-54.4	-173.6	0	0	0	108.5	V507 L508 V510 L522 F526 V534 R536 I537 F551	V507-I549 CarbonylContact C-O 3.48Å; V507-I549 WeakPolarHBondContact CA-O 3.42Å; L508-I549 PolarHBondContact N-O 2.85Å; L508-I549 PolarHBondContact O-N 2.92Å; V510-I549 HydrophobicContact CG2-CD1 3.69Å; V510-I549 HydrophobicContact CG2-CG1 4.04Å; L522-I549 HydrophobicContact CD1-CD1 4.25Å; L522-I549 HydrophobicContact CD2-CD1 4.03Å; L522-I549 HydrophobicContact CD2-CG1 4.45Å; L522-I549 HydrophobicContact CG-CD1 3.95Å; F526-I549 HydrophobicContact CD1-CD1 4.23Å; F526-I549 HydrophobicContact CD2-CD1 3.56Å; F526-I549 HydrophobicContact CE1-CD1 4.15Å; F526-I549 HydrophobicContact CE2-CD1 3.49Å; F526-I549 VanDerWaalsContact CE2-CD1 3.49Å; F526-I549 HydrophobicContact CG-CD1 3.95Å; F526-I549 HydrophobicContact CZ-CD1 3.8Å; V534-I549 HydrophobicContact CB-CG2 4.42Å; V534-I549 HydrophobicContact CG1-CG2 3.57Å; V534-I549 HydrophobicContact CG2-CG2 4Å; R536-I549 WeakPolarHBondContact O-CA 3.33Å; I537-I549 HydrophobicContact CG1-CG1 4.28Å; I537-I549 HydrophobicContact CG1-CG2 4.28Å; I549-F551 HydrophobicContact CB-CE2 4.29Å; I549-F551 HydrophobicContact CG2-CD2 4.46Å; I549-F551 HydrophobicContact CG2-CE2 3.64Å; I549-F551 HydrophobicContact CG2-CZ 3.8Å
550	E	93	Very high	85.6	Confident	34 Å²	34	50.3 Å²	50.3	16%	0.159	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	144.1	176.8	-170.4	171.2	-166.4	0	0	112.2	K506 V507 T535 R536 L584	K506-E550 WeakPolarHBondContact O-CA 3.43Å; V507-E550 HydrophobicContact CG2-CB 4.12Å; V507-E550 HydrophobicContact CG2-CG 3.93Å; T535-E550 PolarHBondContact N-O 3.22Å; T535-E550 WeakPolarHBondContact OG1-CB 3.31Å; T535-E550 WeakPolarHBondContact OG1-CG 3.29Å; T535-E550 PolarHBondContact OG1-O 3.45Å; T535-E550 VanDerWaalsContact OG1-O 3.07Å; R536-E550 HydrophobicContact CB-CB 4.27Å; R536-E550 IonicContact CZ-OE2 3.97Å; R536-E550 IonicContact NE-OE2 2.76Å; R536-E550 PolarHBondContact NE-OE2 3.01Å; R536-E550 IonicContact NH2-OE1 2.85Å; R536-E550 IonicContact NH2-OE2 3.53Å; R536-E550 PolarHBondContact NH2-OE2 2.91Å; R536-E550 PolarHBondContact O-N 3.09Å; E550-L584 HydrophobicContact CB-CD1 3.71Å
551	F	92.7	Very high	86.3	Confident	1 Å²	1	46.4 Å²	46.4	0%	0.004	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	163.7	177.3	-65.2	-91.3	0	0	0	110.9	K506 L508 F526 C532 V534 I549 N553 E556 A557 A560	K506-F551 PolarHBondContact O-N 3.24Å; L508-F551 HydrophobicContact CB-CE2 4.47Å; L508-F551 HydrophobicContact CD1-CD2 4.23Å; L508-F551 HydrophobicContact CD1-CE2 3.55Å; L508-F551 HydrophobicContact CD1-CZ 4.25Å; L508-F551 HydrophobicContact CG-CD2 4.23Å; L508-F551 HydrophobicContact CG-CE2 3.87Å; F526-F551 AromaticContact CD1-CZ 3.88Å; F526-F551 HydrophobicContact CD1-CZ 3.88Å; C532-F551 HydrophobicContact CB-CD1 3.97Å; C532-F551 HydrophobicContact CB-CE1 4.01Å; V534-F551 HydrophobicContact CG2-CE1 3.8Å; V534-F551 HydrophobicContact CG2-CZ 4.07Å; I549-F551 HydrophobicContact CB-CE2 4.29Å; I549-F551 HydrophobicContact CG2-CD2 4.46Å; I549-F551 HydrophobicContact CG2-CE2 3.64Å; I549-F551 HydrophobicContact CG2-CZ 3.8Å; F551-N553 VanDerWaalsContact C-N 3.33Å; F551-N553 PolarHBondContact O-N 3.45Å; F551-E556 HydrophobicContact CB-CB 3.88Å; F551-E556 HydrophobicContact CD1-CB 4.13Å; F551-E556 HydrophobicContact CG-CB 4.28Å; F551-A557 HydrophobicContact CB-CB 4.2Å; F551-A557 HydrophobicContact CD2-CB 3.95Å; F551-A557 HydrophobicContact CG-CB 4.29Å; F551-A560 HydrophobicContact CD1-CB 4.46Å; F551-A560 HydrophobicContact CE1-CB 3.72Å; F551-A560 HydrophobicContact CE2-CB 4.11Å; F551-A560 HydrophobicContact CZ-CB 3.53Å
552	A	90.5	Very high	87.5	Confident	48 Å²	48	37.1 Å²	37.1	40%	0.397	21%	0.206	S	C	.	.	S	Bend	trans	-67.2	-36.7	-175.2	0	0	0	0	0	112	K506 T535 E556	K506-A552 PolarHBondContact NZ-O 3.37Å; T535-A552 HydrophobicContact CG2-CB 4.14Å; A552-E556 WeakPolarHBondContact CB-OE2 3.25Å; A552-E556 PolarHBondContact N-OE2 2.83Å
553	N	91.6	Very high	89	Confident	60 Å²	60	34.3 Å²	34.3	32%	0.321	18%	0.182	S	C	.	.	S	Bend	trans	-137.3	172.6	-179.9	62.7	66	0	0	0	112.4	F551 E555 E556 A557	F551-N553 VanDerWaalsContact C-N 3.33Å; F551-N553 PolarHBondContact O-N 3.45Å; N553-E555 VanDerWaalsContact C-N 3.34Å; N553-E555 WeakPolarHBondContact OD1-CB 3.37Å; N553-E555 PolarHBondContact OD1-N 3.42Å; N553-E556 PolarHBondContact ND2-OE1 2.61Å; N553-E556 PolarHBondContact OD1-N 3.29Å; N553-A557 PolarHBondContact O-N 2.81Å
554	L	92.4	Very high	90.1	Very high	46 Å²	46	31 Å²	31	24%	0.241	16%	0.164	C	C	.	.	H	α-helix	trans	-71	-30.9	-177.8	-179.3	60.8	0	0	0	112.2	P442 P504 A557 V558	P442-L554 HydrophobicContact CG-CB 4.35Å; P442-L554 HydrophobicContact CG-CD2 4.38Å; P442-L554 HydrophobicContact CG-CG 4.36Å; P504-L554 HydrophobicContact CB-CD1 3.85Å; L554-A557 PolarHBondContact O-N 2.84Å; L554-V558 HydrophobicContact CD1-CG2 4.37Å; L554-V558 HydrophobicContact CG-CG2 4.37Å; L554-V558 VanDerWaalsContact O-CG2 3.25Å; L554-V558 WeakPolarHBondContact O-CG2 3.45Å; L554-V558 PolarHBondContact O-N 3.3Å
555	E	92.3	Very high	91.2	Very high	59 Å²	59	25.4 Å²	25.4	28%	0.276	14%	0.14	S	C	.	.	H	α-helix	trans	-70.8	-40.1	-177.2	-170	176.8	164.8	0	0	112.1	P442 Y444 G445 N553 V558 S559	P442-E555 HydrophobicContact CB-CB 3.99Å; P442-E555 HydrophobicContact CB-CG 4.14Å; P442-E555 HydrophobicContact CG-CB 3.97Å; Y444-E555 WeakPolarHBondContact CA-OE1 3.19Å; Y444-E555 PolarHBondContact N-OE1 2.84Å; G445-E555 PolarHBondContact N-OE1 3.4Å; N553-E555 VanDerWaalsContact C-N 3.34Å; N553-E555 WeakPolarHBondContact OD1-CB 3.37Å; N553-E555 PolarHBondContact OD1-N 3.42Å; E555-V558 PolarHBondContact O-N 3.45Å; E555-S559 VanDerWaalsContact O-CB 3.29Å; E555-S559 WeakPolarHBondContact O-CB 3.38Å; E555-S559 PolarHBondContact O-N 3.47Å; E555-S559 PolarHBondContact O-OG 3.42Å
556	E	92.5	Very high	91.5	Very high	45 Å²	45	22.9 Å²	22.9	21%	0.21	13%	0.131	C	C	.	.	H	α-helix	trans	-59.6	-47.2	169.7	-76	166.7	-157.5	0	0	111	C532 F551 A552 N553 V558 S559 A560	C532-E556 HydrophobicContact CB-CB 4.06Å; C532-E556 HydrophobicContact CB-CG 4.03Å; F551-E556 HydrophobicContact CB-CB 3.88Å; F551-E556 HydrophobicContact CD1-CB 4.13Å; F551-E556 HydrophobicContact CG-CB 4.28Å; A552-E556 WeakPolarHBondContact CB-OE2 3.25Å; A552-E556 PolarHBondContact N-OE2 2.83Å; N553-E556 PolarHBondContact ND2-OE1 2.61Å; N553-E556 PolarHBondContact OD1-N 3.29Å; E556-V558 PolarHBondContact O-N 3.05Å; E556-S559 PolarHBondContact O-N 2.76Å; E556-A560 VanDerWaalsContact O-CB 3.25Å; E556-A560 WeakPolarHBondContact O-CB 2.99Å; E556-A560 PolarHBondContact O-N 2.88Å
557	A	93.4	Very high	91.5	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.4	-39.8	177.4	0	0	0	0	0	112.6	S505 L508 F551 N553 L554 L561	S505-A557 WeakPolarHBondContact O-CB 3.42Å; L508-A557 WeakPolarHBondContact CD1-O 3.45Å; L508-A557 HydrophobicContact CD2-CB 4.16Å; L508-A557 HydrophobicContact CG-CB 4.35Å; F551-A557 HydrophobicContact CB-CB 4.2Å; F551-A557 HydrophobicContact CD2-CB 3.95Å; F551-A557 HydrophobicContact CG-CB 4.29Å; N553-A557 PolarHBondContact O-N 2.81Å; L554-A557 PolarHBondContact O-N 2.84Å; A557-L561 VanDerWaalsContact O-CB 3.3Å; A557-L561 WeakPolarHBondContact O-CB 3.46Å; A557-L561 PolarHBondContact O-N 2.89Å
558	V	93.5	Very high	91.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.5	-45.6	173.8	168.9	0	0	0	0	110.9	L401 I441 L443 L554 E555 E556 L561 I562 F579	L401-V558 HydrophobicContact CD1-CG1 4.17Å; I441-V558 HydrophobicContact CD1-CG1 4.41Å; I441-V558 HydrophobicContact CD1-CG2 4.13Å; L443-V558 HydrophobicContact CD1-CG1 3.73Å; L554-V558 HydrophobicContact CD1-CG2 4.37Å; L554-V558 HydrophobicContact CG-CG2 4.37Å; L554-V558 VanDerWaalsContact O-CG2 3.25Å; L554-V558 WeakPolarHBondContact O-CG2 3.45Å; L554-V558 PolarHBondContact O-N 3.3Å; E555-V558 PolarHBondContact O-N 3.45Å; E556-V558 PolarHBondContact O-N 3.05Å; V558-L561 PolarHBondContact O-N 3.44Å; V558-I562 HydrophobicContact CG1-CD1 3.93Å; V558-I562 WeakPolarHBondContact O-CD1 3.36Å; V558-I562 VanDerWaalsContact O-CG1 3.31Å; V558-I562 WeakPolarHBondContact O-CG1 3.42Å; V558-I562 PolarHBondContact O-N 2.75Å; V558-I562 VanDerWaalsContact O-N 3.09Å; V558-F579 HydrophobicContact CG2-CE1 4.18Å; V558-F579 HydrophobicContact CG2-CZ 3.97Å
559	S	92.5	Very high	90.8	Very high	18 Å²	18	30.1 Å²	30.1	13%	0.126	17%	0.168	C	C	.	.	H	α-helix	trans	-64.5	-44.6	-179.9	-59.6	0	0	0	0	111.7	E555 E556 I562 A563	E555-S559 VanDerWaalsContact O-CB 3.29Å; E555-S559 WeakPolarHBondContact O-CB 3.38Å; E555-S559 PolarHBondContact O-N 3.47Å; E555-S559 PolarHBondContact O-OG 3.42Å; E556-S559 PolarHBondContact O-N 2.76Å; S559-I562 PolarHBondContact O-N 3.07Å; S559-A563 WeakPolarHBondContact O-CB 3.25Å; S559-A563 PolarHBondContact O-N 3.28Å
560	A	93.1	Very high	90.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-66.6	-37.3	176.5	0	0	0	0	0	112.4	L508 F526 T530 F551 E556 I562 M564	L508-A560 HydrophobicContact CD1-CB 4.06Å; F526-A560 HydrophobicContact CD1-CB 4.48Å; T530-A560 HydrophobicContact CG2-CB 3.88Å; F551-A560 HydrophobicContact CD1-CB 4.46Å; F551-A560 HydrophobicContact CE1-CB 3.72Å; F551-A560 HydrophobicContact CE2-CB 4.11Å; F551-A560 HydrophobicContact CZ-CB 3.53Å; E556-A560 VanDerWaalsContact O-CB 3.25Å; E556-A560 WeakPolarHBondContact O-CB 2.99Å; E556-A560 PolarHBondContact O-N 2.88Å; A560-I562 VanDerWaalsContact C-N 3.31Å; A560-I562 PolarHBondContact O-N 3.09Å; A560-M564 VanDerWaalsContact O-CB 3.25Å; A560-M564 WeakPolarHBondContact O-CB 3.43Å; A560-M564 WeakPolarHBondContact O-CG 3.38Å; A560-M564 PolarHBondContact O-N 3.11Å
561	L	93.6	Very high	89.1	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.2	-40.9	172.3	-179.3	148.3	0	0	0	111.8	I400 V404 L508 A557 V558 H565 V577 F579	I400-L561 HydrophobicContact CG2-CD2 4.18Å; V404-L561 HydrophobicContact CG2-CD1 4.09Å; V404-L561 HydrophobicContact CG2-CD2 3.82Å; L508-L561 HydrophobicContact CD1-CB 4.12Å; L508-L561 HydrophobicContact CD2-CB 4.16Å; L508-L561 HydrophobicContact CD2-CD1 4.14Å; A557-L561 VanDerWaalsContact O-CB 3.3Å; A557-L561 WeakPolarHBondContact O-CB 3.46Å; A557-L561 PolarHBondContact O-N 2.89Å; V558-L561 PolarHBondContact O-N 3.44Å; L561-H565 WeakPolarHBondContact O-CB 3.45Å; L561-H565 PolarHBondContact O-N 3.06Å; L561-V577 HydrophobicContact CB-CG1 4.22Å; L561-V577 HydrophobicContact CD1-CG1 4.43Å; L561-V577 HydrophobicContact CG-CG1 4.16Å; L561-F579 HydrophobicContact CD1-CD1 4.2Å; L561-F579 HydrophobicContact CD1-CD2 4.11Å; L561-F579 HydrophobicContact CD1-CE1 4.02Å; L561-F579 HydrophobicContact CD1-CE2 3.93Å; L561-F579 HydrophobicContact CD1-CG 4.24Å; L561-F579 HydrophobicContact CD1-CZ 3.88Å
562	I	92.1	Very high	88.1	Confident	13 Å²	13	49.1 Å²	49.1	7%	0.067	26%	0.262	C	S	.	.	H	α-helix	trans	-68.7	-46.9	179.8	-68.8	160.7	0	0	0	111	T397 I400 L401 L443 V558 S559 A560	T397-I562 HydrophobicContact CG2-CD1 3.92Å; T397-I562 HydrophobicContact CG2-CG2 3.99Å; I400-I562 HydrophobicContact CG2-CG1 4.5Å; L401-I562 HydrophobicContact CB-CD1 4.39Å; L401-I562 HydrophobicContact CB-CG1 4.34Å; L443-I562 HydrophobicContact CD1-CD1 3.58Å; V558-I562 HydrophobicContact CG1-CD1 3.93Å; V558-I562 WeakPolarHBondContact O-CD1 3.36Å; V558-I562 VanDerWaalsContact O-CG1 3.31Å; V558-I562 WeakPolarHBondContact O-CG1 3.42Å; V558-I562 PolarHBondContact O-N 2.75Å; V558-I562 VanDerWaalsContact O-N 3.09Å; S559-I562 PolarHBondContact O-N 3.07Å; A560-I562 VanDerWaalsContact C-N 3.31Å; A560-I562 PolarHBondContact O-N 3.09Å
563	A	91	Very high	87.7	Confident	51 Å²	51	49 Å²	49	42%	0.421	25%	0.254	S	S	.	.	H	α-helix	trans	-72.7	-38.1	-176	0	0	0	0	0	113.5	T530 S559	T530-A563 HydrophobicContact CG2-CB 3.99Å; S559-A563 WeakPolarHBondContact O-CB 3.25Å; S559-A563 PolarHBondContact O-N 3.28Å
564	M	90.6	Very high	87.4	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-95.2	-1.8	-172.5	-56.8	-55.7	-68.8	0	0	114.2	V525 F526 T530 A560 D566 Y567 I575 V577	V525-M564 HydrophobicContact CG1-CE 3.56Å; V525-M564 WeakPolarHBondContact O-CE 3.47Å; F526-M564 HydrophobicContact CD1-CB 4.26Å; F526-M564 HydrophobicContact CD1-CG 3.68Å; F526-M564 HydrophobicContact CD2-CE 4.41Å; F526-M564 HydrophobicContact CE1-CB 3.64Å; F526-M564 HydrophobicContact CE1-CG 3.6Å; F526-M564 HydrophobicContact CG-CG 4.35Å; F526-M564 HydrophobicContact CZ-CB 3.89Å; F526-M564 HydrophobicContact CZ-CG 4.17Å; T530-M564 HydrophobicContact CG2-CG 3.45Å; T530-M564 VanDerWaalsContact CG2-CG 3.45Å; T530-M564 HydrophobicContact CG2-SD 3.73Å; A560-M564 VanDerWaalsContact O-CB 3.25Å; A560-M564 WeakPolarHBondContact O-CB 3.43Å; A560-M564 WeakPolarHBondContact O-CG 3.38Å; A560-M564 PolarHBondContact O-N 3.11Å; M564-D566 PolarHBondContact O-N 3.33Å; M564-Y567 HydrophobicContact CE-CD1 3.97Å; M564-Y567 HydrophobicContact CE-CD2 3.8Å; M564-Y567 HydrophobicContact CE-CE1 4.32Å; M564-Y567 HydrophobicContact CE-CE2 4.16Å; M564-Y567 HydrophobicContact CE-CG 3.7Å; M564-Y567 WeakPolarHBondContact O-CB 3.34Å; M564-Y567 PolarHBondContact O-N 2.98Å; M564-Y567 HydrophobicContact SD-CD2 4.14Å; M564-Y567 HydrophobicContact SD-CG 4.47Å; M564-I575 HydrophobicContact CB-CD1 4.21Å; M564-I575 HydrophobicContact CE-CD1 4.49Å; M564-I575 WeakPolarHBondContact O-CD1 3.46Å; M564-I575 WeakPolarHBondContact O-CG1 3.35Å; M564-V577 HydrophobicContact CB-CG2 4.16Å
565	H	87.6	Confident	87.2	Confident	15 Å²	15	47.1 Å²	47.1	7%	0.069	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	127.9	175.4	-173.8	31.4	0	0	0	111.6	I400 R489 L561 Y567	I400-H565 HydrophobicContact CG2-CB 3.91Å; R489-H565 PolarHBondContact NH2-CD2 3.14Å; R489-H565 PolarHBondContact NH2-CE1 3.49Å; R489-H565 PolarHBondContact NH2-ND1 3.05Å; R489-H565 PolarHBondContact NH2-NE2 3.25Å; L561-H565 WeakPolarHBondContact O-CB 3.45Å; L561-H565 PolarHBondContact O-N 3.06Å; H565-Y567 PolarHBondContact O-N 3.29Å
566	D	86.6	Confident	87	Confident	37 Å²	37	49.6 Å²	49.6	20%	0.198	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	17.2	-174.3	-156.6	55.9	0	0	0	113.3	K486 L487 M564 H574 I575	K486-D566 VanDerWaalsContact CE-OD2 3.3Å; K486-D566 WeakPolarHBondContact CE-OD2 3.36Å; K486-D566 IonicContact NZ-OD1 2.73Å; K486-D566 IonicContact NZ-OD2 3.54Å; K486-D566 PolarHBondContact NZ-OD2 2.88Å; L487-D566 HydrophobicContact CD1-CB 3.98Å; L487-D566 HydrophobicContact CD2-CB 3.79Å; L487-D566 VanDerWaalsContact CD2-CG 3.42Å; L487-D566 WeakPolarHBondContact CD2-OD1 3.36Å; M564-D566 PolarHBondContact O-N 3.33Å; D566-H574 PolarHBondContact O-ND1 3.19Å; D566-H574 WeakPolarHBondContact OD1-CB 3.48Å; D566-H574 IonicContact OD1-CG 2.68Å; D566-H574 IonicContact OD1-ND1 3.1Å; D566-I575 WeakPolarHBondContact CA-O 3.33Å; D566-I575 PolarHBondContact N-O 2.91Å
567	Y	86.8	Confident	87	Confident	91 Å²	91	47.4 Å²	47.4	36%	0.357	24%	0.238	S	C	.	.			trans	-65.8	128.3	173.2	-174.6	-85.5	0	0	0	110.7	V525 M564 H565 I569 H574 I575	V525-Y567 HydrophobicContact CG1-CD1 4.19Å; V525-Y567 HydrophobicContact CG1-CE1 3.79Å; M564-Y567 HydrophobicContact CE-CD1 3.97Å; M564-Y567 HydrophobicContact CE-CD2 3.8Å; M564-Y567 HydrophobicContact CE-CE1 4.32Å; M564-Y567 HydrophobicContact CE-CE2 4.16Å; M564-Y567 HydrophobicContact CE-CG 3.7Å; M564-Y567 WeakPolarHBondContact O-CB 3.34Å; M564-Y567 PolarHBondContact O-N 2.98Å; M564-Y567 HydrophobicContact SD-CD2 4.14Å; M564-Y567 HydrophobicContact SD-CG 4.47Å; H565-Y567 PolarHBondContact O-N 3.29Å; Y567-I569 HydrophobicContact CD1-CG1 3.99Å; Y567-I569 HydrophobicContact CE1-CG1 4.31Å; Y567-I569 PolarHBondContact O-N 3.25Å; Y567-H574 CarbonylContact O-C 3.58Å; Y567-H574 WeakPolarHBondContact O-CA 3.34Å; Y567-I575 WeakPolarHBondContact O-CG1 3.46Å; Y567-I575 PolarHBondContact O-N 3Å
568	P	85.1	Confident	86.8	Confident	73 Å²	73	48.9 Å²	48.9	47%	0.474	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	117.3	176.8	30.7	-31.6	0	0	0	110.7	M573	P568-M573 WeakPolarHBondContact CA-O 3.21Å
569	I	82.6	Confident	86.8	Confident	40 Å²	40	49.3 Å²	49.3	21%	0.205	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-40.7	173.8	-72.8	-168.3	0	0	0	111.3	L513 P514 I517 V525 Y567 M573 I575	L513-I569 HydrophobicContact CD2-CD1 3.97Å; P514-I569 HydrophobicContact CG-CG2 3.88Å; I517-I569 HydrophobicContact CD1-CD1 4.04Å; I517-I569 HydrophobicContact CD1-CG2 4.23Å; V525-I569 HydrophobicContact CG1-CD1 4.43Å; Y567-I569 HydrophobicContact CD1-CG1 3.99Å; Y567-I569 HydrophobicContact CE1-CG1 4.31Å; Y567-I569 PolarHBondContact O-N 3.25Å; I569-M573 PolarHBondContact N-O 3.32Å; I569-I575 HydrophobicContact CD1-CD1 4.39Å; I569-I575 HydrophobicContact CD1-CG2 3.4Å; I569-I575 HydrophobicContact CG1-CG2 3.83Å
570	E	78.9	Confident	86.7	Confident	88 Å²	88	49 Å²	49	41%	0.411	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	167.2	175.1	-76	176.8	-178.7	0	0	109.3	P514 S516 N572 M573	P514-E570 HydrophobicContact CB-CG 4.49Å; P514-E570 WeakPolarHBondContact CB-OE1 3.41Å; P514-E570 WeakPolarHBondContact CB-OE2 3.39Å; P514-E570 HydrophobicContact CG-CG 4.38Å; S516-E570 PolarHBondContact OG-OE1 3.23Å; E570-N572 PolarHBondContact O-N 2.72Å; E570-N572 VanDerWaalsContact O-N 3.14Å; E570-M573 HydrophobicContact CB-CB 4.2Å; E570-M573 PolarHBondContact O-N 3.27Å
571	E	70.9	Confident	86.2	Confident	189 Å²	189	55.1 Å²	55.1	88%	0.883	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	120.3	176	-66.9	-171.7	173.7	0	0	110.8	M573	E571-M573 VanDerWaalsContact C-N 3.29Å; E571-M573 PolarHBondContact O-N 3.36Å
572	N	73.3	Confident	85.5	Confident	157 Å²	157	58.6 Å²	58.6	84%	0.84	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	6.4	-172.7	-52.1	-55.3	0	0	0	117.1	E570	E570-N572 PolarHBondContact O-N 2.72Å; E570-N572 VanDerWaalsContact O-N 3.14Å
573	M	81.1	Confident	84.8	Confident	46 Å²	46	62.1 Å²	62.1	23%	0.227	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	105.4	175	-72.2	-164.1	59.4	0	0	113	N512 P514 P568 I569 E570 E571	N512-M573 WeakPolarHBondContact O-CE 3.47Å; P514-M573 HydrophobicContact CB-CE 4.09Å; P514-M573 HydrophobicContact CB-SD 4.17Å; P568-M573 WeakPolarHBondContact CA-O 3.21Å; I569-M573 PolarHBondContact N-O 3.32Å; E570-M573 HydrophobicContact CB-CB 4.2Å; E570-M573 PolarHBondContact O-N 3.27Å; E571-M573 VanDerWaalsContact C-N 3.29Å; E571-M573 PolarHBondContact O-N 3.36Å
574	H	84.6	Confident	84	Confident	67 Å²	67	62.1 Å²	62.1	31%	0.31	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	132.7	175.8	-65.6	-100.5	0	0	0	111.7	N512 D566 Y567	N512-H574 PolarHBondContact ND2-O 3.42Å; D566-H574 PolarHBondContact O-ND1 3.19Å; D566-H574 WeakPolarHBondContact OD1-CB 3.48Å; D566-H574 IonicContact OD1-CG 2.68Å; D566-H574 IonicContact OD1-ND1 3.1Å; Y567-H574 CarbonylContact O-C 3.58Å; Y567-H574 WeakPolarHBondContact O-CA 3.34Å
575	I	89.4	Confident	83.7	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.339	C	S	.	.			trans	-78.7	150.1	178.9	55.9	163.6	0	0	0	113.5	V510 L513 F526 M564 D566 Y567 I569 V577	V510-I575 HydrophobicContact CG1-CB 4.14Å; V510-I575 HydrophobicContact CG1-CD1 4.18Å; V510-I575 HydrophobicContact CG1-CG2 4.31Å; L513-I575 HydrophobicContact CD2-CG2 3.82Å; F526-I575 HydrophobicContact CE2-CD1 3.94Å; F526-I575 HydrophobicContact CZ-CD1 3.9Å; M564-I575 HydrophobicContact CB-CD1 4.21Å; M564-I575 HydrophobicContact CE-CD1 4.49Å; M564-I575 WeakPolarHBondContact O-CD1 3.46Å; M564-I575 WeakPolarHBondContact O-CG1 3.35Å; D566-I575 WeakPolarHBondContact CA-O 3.33Å; D566-I575 PolarHBondContact N-O 2.91Å; Y567-I575 WeakPolarHBondContact O-CG1 3.46Å; Y567-I575 PolarHBondContact O-N 3Å; I569-I575 HydrophobicContact CD1-CD1 4.39Å; I569-I575 HydrophobicContact CD1-CG2 3.4Å; I569-I575 HydrophobicContact CG1-CG2 3.83Å; I575-V577 HydrophobicContact CD1-CG2 4.07Å
576	R	88.1	Confident	83.4	Confident	110 Å²	110	67.8 Å²	67.8	42%	0.415	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	113.3	177.2	-71.1	-179.1	172.8	-148.2	-6.9	110.4	T511	T511-R576 PolarHBondContact N-O 3.07Å; T511-R576 PolarHBondContact O-N 3.1Å; T511-R576 WeakPolarHBondContact OG1-CB 3.18Å; T511-R576 PolarHBondContact OG1-O 3.3Å
577	V	91.3	Very high	83.3	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	133.7	-176	-170.2	0	0	0	0	110	R489 L508 V510 F526 L561 M564 I575	R489-V577 VanDerWaalsContact CZ-O 3.29Å; R489-V577 PolarHBondContact NH1-O 2.87Å; R489-V577 PolarHBondContact NH2-O 3.39Å; L508-V577 HydrophobicContact CB-CG1 3.94Å; L508-V577 HydrophobicContact CD1-CG1 3.69Å; L508-V577 HydrophobicContact CG-CG1 4.26Å; V510-V577 HydrophobicContact CG1-CG2 4.47Å; V510-V577 HydrophobicContact CG2-CG1 4.46Å; V510-V577 HydrophobicContact CG2-CG2 4.4Å; F526-V577 HydrophobicContact CZ-CG2 4.13Å; L561-V577 HydrophobicContact CB-CG1 4.22Å; L561-V577 HydrophobicContact CD1-CG1 4.43Å; L561-V577 HydrophobicContact CG-CG1 4.16Å; M564-V577 HydrophobicContact CB-CG2 4.16Å; I575-V577 HydrophobicContact CD1-CG2 4.07Å
578	S	91	Very high	83.1	Confident	31 Å²	31	68.2 Å²	68.2	22%	0.217	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	162.1	176.6	-48.4	0	0	0	0	109.7	R489 L508 H509	R489-S578 PolarHBondContact NH1-OG 2.85Å; L508-S578 CarbonylContact C-O 3.53Å; L508-S578 WeakPolarHBondContact CA-O 3.48Å; H509-S578 PolarHBondContact N-O 2.84Å; H509-S578 PolarHBondContact O-N 2.71Å
579	F	93	Very high	82.9	Confident	8 Å²	8	67.9 Å²	67.9	4%	0.035	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	147	166.7	-61.1	-66	0	0	0	111.1	V404 Y405 C502 P504 L508 V558 L561	V404-F579 HydrophobicContact CG1-CD2 4.12Å; Y405-F579 HydrophobicContact CE2-CE2 4.33Å; Y405-F579 WeakPolarHBondContact OH-CD2 3.45Å; C502-F579 PolarHBondContact SG-O 3.19Å; P504-F579 HydrophobicContact CB-CD1 4.3Å; P504-F579 HydrophobicContact CB-CD2 4.31Å; P504-F579 HydrophobicContact CB-CE1 3.99Å; P504-F579 HydrophobicContact CB-CE2 3.99Å; P504-F579 HydrophobicContact CB-CG 4.46Å; P504-F579 HydrophobicContact CB-CZ 3.83Å; P504-F579 HydrophobicContact CG-CD2 4.35Å; P504-F579 HydrophobicContact CG-CE2 3.97Å; P504-F579 HydrophobicContact CG-CZ 4.23Å; L508-F579 HydrophobicContact CD2-CD1 3.69Å; L508-F579 HydrophobicContact CD2-CE1 3.97Å; V558-F579 HydrophobicContact CG2-CE1 4.18Å; V558-F579 HydrophobicContact CG2-CZ 3.97Å; L561-F579 HydrophobicContact CD1-CD1 4.2Å; L561-F579 HydrophobicContact CD1-CD2 4.11Å; L561-F579 HydrophobicContact CD1-CE1 4.02Å; L561-F579 HydrophobicContact CD1-CE2 3.93Å; L561-F579 HydrophobicContact CD1-CG 4.24Å; L561-F579 HydrophobicContact CD1-CZ 3.88Å
580	S	89.8	Confident	83	Confident	12 Å²	12	69.8 Å²	69.8	8%	0.084	37%	0.365	C	S	.	.			trans	-95.7	141.7	177.1	-177.7	0	0	0	0	111.7	S505 V507 L548 S582	S505-S580 PolarHBondContact OG-O 2.83Å; V507-S580 WeakPolarHBondContact O-CB 3.18Å; V507-S580 PolarHBondContact O-N 3.04Å; L548-S580 WeakPolarHBondContact CD2-OG 3.29Å; S580-S582 PolarHBondContact OG-N 3.08Å; S580-S582 PolarHBondContact OG-O 2.99Å
581	K	83.3	Confident	83.3	Confident	128 Å²	128	68.5 Å²	68.5	56%	0.557	36%	0.362	S	S	*	.	S	Bend	trans	-78.4	-24.7	164.7	-71.6	-178.4	177.7	-172	0	112.8	F499 N500 I501 C502	F499-K581 PolarHBondContact O-NZ 2.77Å; N500-K581 WeakPolarHBondContact O-CE 3.48Å; I501-K581 WeakPolarHBondContact O-CE 3.12Å; I501-K581 PolarHBondContact O-NZ 3.33Å; C502-K581 HydrophobicContact CB-CD 4.34Å; C502-K581 HydrophobicContact CB-CG 3.53Å
582	S	79.6	Confident	84.2	Confident	73 Å²	73	59.2 Å²	59.2	51%	0.51	32%	0.322	S	S	.	.	S	Bend	trans	-94.4	128.6	-177.5	-59.1	0	0	0	0	109.9	S580	S580-S582 PolarHBondContact OG-N 3.08Å; S580-S582 PolarHBondContact OG-O 2.99Å
583	A	76.7	Confident	85.1	Confident	88 Å²	88	51.1 Å²	51.1	73%	0.727	28%	0.279	S	S	*	.			trans	-68.2	163.8	162.4	0	0	0	0	0	110.9
584	L	73.5	Confident	85.5	Confident	50 Å²	50	51.5 Å²	51.5	26%	0.262	28%	0.283	S	S	.	.			trans	-97.9	0	-177.9	-101.7	169.6	0	0	0	114.1	V507 R536 K538 L548 E550	V507-L584 HydrophobicContact CG1-CD1 3.95Å; V507-L584 HydrophobicContact CG1-CG 4.2Å; V507-L584 HydrophobicContact CG2-CB 4.5Å; R536-L584 HydrophobicContact CB-CD1 4.4Å; R536-L584 PolarHBondContact NH1-O 2.95Å; R536-L584 PolarHBondContact NH2-O 3.24Å; K538-L584 HydrophobicContact CB-CD2 3.33Å; K538-L584 HydrophobicContact CD-CD2 3.48Å; K538-L584 VanDerWaalsContact CD-CD2 3.48Å; K538-L584 HydrophobicContact CG-CD2 4.11Å; L548-L584 HydrophobicContact CB-CD1 3.76Å; L548-L584 HydrophobicContact CB-CD2 3.94Å; L548-L584 HydrophobicContact CB-CG 3.87Å; L548-L584 HydrophobicContact CD1-CD2 4.28Å; L548-L584 HydrophobicContact CD1-CG 4.25Å; E550-L584 HydrophobicContact CB-CD1 3.71Å

Retrieved 584 of 584 residues in 147 ms (Link to these results)

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