A0A3Q0KK62_SCHMA Loading...

Putative heat shock protein 70 (Hsp70)

AlphaFold DB , UniProt , Accession A0A3Q0KK62, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 653 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	41.8	Very low	41.9	Very low	238 Å²	238	157.8 Å²	157.8	100%	1.172	76%	0.755	S	S	*	*				0	3.5	0	-81.6	-175.9	-174.3	0	0	115.5
2	S	42.6	Very low	41.6	Very low	106 Å²	106	153.1 Å²	153.1	74%	0.741	74%	0.737	S	S	*	*			trans	-105.1	-2.6	179.8	-171	0	0	0	0	115.1
3	R	43.1	Very low	41.4	Very low	240 Å²	240	154.9 Å²	154.9	91%	0.906	74%	0.74	S	S	*	*	S	Bend	trans	-97	-3.6	-175.8	-81.8	-174.7	178.2	-173.8	-1.2	116.6
4	Y	42.8	Very low	41.2	Very low	214 Å²	214	156.1 Å²	156.1	84%	0.839	74%	0.741	S	S	*	*	S	Bend	trans	-99.1	1	-174.7	-97.5	-89.1	0	0	0	115.3
5	L	40	Very low	40.9	Very low	129 Å²	129	153.7 Å²	153.7	68%	0.675	73%	0.733	S	S	*	*	S	Bend	trans	-99.2	-10.9	-173.3	-85.2	149.5	0	0	0	114.8
6	L	39.3	Very low	40.5	Very low	127 Å²	127	153.5 Å²	153.5	67%	0.665	74%	0.738	S	S	*	*	H	α-helix	trans	-83	-23.1	-179.1	-90.5	114.2	0	0	0	114.7
7	S	48.5	Very low	40.1	Very low	89 Å²	89	153.1 Å²	153.1	62%	0.622	74%	0.739	S	S	*	*	H	α-helix	trans	-77.9	-21.3	-179.1	77	0	0	0	0	113.9
8	R	40.4	Very low	39.7	Very low	196 Å²	196	155.1 Å²	155.1	74%	0.74	74%	0.744	S	S	*	*	H	α-helix	trans	-82.2	-23.9	176.1	-83.8	-174.7	167.9	-164.6	-3.1	114.3	N12	R8-N12 PolarHBondContact O-N 3.13Å
9	Q	42	Very low	39	Very low	145 Å²	145	152.9 Å²	152.9	68%	0.678	74%	0.744	S	S	*	*	H	α-helix	trans	-81	-24	178.1	-84.1	-175.4	-20	0	0	113.5
10	V	43.1	Very low	38.5	Very low	98 Å²	98	154 Å²	154	59%	0.594	75%	0.752	S	S	*	*	H	α-helix	trans	-76.4	-38.4	172.3	-178	0	0	0	0	110.5
11	F	37.1	Very low	37.9	Very low	154 Å²	154	150.8 Å²	150.8	68%	0.675	74%	0.744	S	S	*	*	H	α-helix	trans	-67.6	-37.1	179.1	-153.1	-99.9	0	0	0	113.2	L15	F11-L15 HydrophobicContact CD1-CD1 4.44Å
12	N	38.2	Very low	37.2	Very low	101 Å²	101	144.9 Å²	144.9	54%	0.54	73%	0.726	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.6	-8.3	-178.9	-80	-17.7	0	0	0	115.1	R8	R8-N12 PolarHBondContact O-N 3.13Å
13	K	39.4	Very low	36.5	Very low	177 Å²	177	145.3 Å²	145.3	77%	0.77	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-15.8	173.2	-102.5	-178	175.7	-178.1	0	113.7
14	F	39	Very low	36	Very low	171 Å²	171	143.7 Å²	143.7	75%	0.75	73%	0.725	S	S	*	*	S	Bend	trans	-84.7	-16.7	173	-91	-88.7	0	0	0	113.8
15	L	36.4	Very low	36.1	Very low	121 Å²	121	138.6 Å²	138.6	63%	0.634	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	0.7	-174.4	-82.6	155.4	0	0	0	115.1	F11	F11-L15 HydrophobicContact CD1-CD1 4.44Å
16	N	34	Very low	36.8	Very low	150 Å²	150	137.2 Å²	137.2	80%	0.802	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.1	20.2	-175.2	-89.6	-33.9	0	0	0	115.2
17	L	33.8	Very low	38.2	Very low	146 Å²	146	134.9 Å²	134.9	76%	0.764	72%	0.715	S	S	*	*	S	Bend	trans	-92.5	113.4	165.5	-84.5	140.4	0	0	0	108.8
18	K	32.8	Very low	39.5	Very low	190 Å²	190	132 Å²	132	83%	0.826	69%	0.694	S	S	*	*			trans	-40.9	144.3	170.2	-76.6	176.9	173.1	179.8	0	111	L20	K18-L20 PolarHBondContact O-N 3.27Å
19	P	26.9	Very low	41.1	Very low	113 Å²	113	132.1 Å²	132.1	73%	0.734	70%	0.701	S	S	*	*			trans	-71.4	98.3	-176.8	30.9	-32.2	0	0	0	109.1	C21	P19-C21 HydrophobicContact CB-CB 4.31Å; P19-C21 PolarHBondContact O-N 2.79Å
20	L	29.2	Very low	42.9	Very low	175 Å²	175	128 Å²	128	92%	0.916	70%	0.697	S	S	*	*			trans	-75.6	63.9	148.5	-94.6	126.6	0	0	0	107.6	K18 S22	K18-L20 PolarHBondContact O-N 3.27Å; L20-S22 VanDerWaalsContact C-N 3.34Å; L20-S22 PolarHBondContact O-N 3.11Å; L20-S22 VanDerWaalsContact O-N 3.16Å
21	C	26.5	Very low	45	Very low	86 Å²	86	128 Å²	128	58%	0.581	69%	0.69	S	S	*	*			trans	-76.7	88.1	165.5	-86.7	0	0	0	0	107.7	P19	P19-C21 HydrophobicContact CB-CB 4.31Å; P19-C21 PolarHBondContact O-N 2.79Å
22	S	25.8	Very low	47.8	Very low	114 Å²	114	121.1 Å²	121.1	80%	0.797	66%	0.661	S	S	*	*			trans	-148.6	59.1	164.2	-165.1	0	0	0	0	110.2	L20	L20-S22 VanDerWaalsContact C-N 3.34Å; L20-S22 PolarHBondContact O-N 3.11Å; L20-S22 VanDerWaalsContact O-N 3.16Å
23	S	27.6	Very low	50.6	Low	115 Å²	115	116.3 Å²	116.3	80%	0.804	64%	0.635	S	S	*	*			trans	177.2	61.1	148.5	62.2	0	0	0	0	109.4	S25	S23-S25 PolarHBondContact O-N 2.92Å
24	Y	33.4	Very low	53.4	Low	207 Å²	207	107.9 Å²	107.9	81%	0.812	60%	0.598	S	S	*	*			trans	-68.2	97.7	154.9	-94.4	-87	0	0	0	105.6	S26	Y24-S26 PolarHBondContact O-N 3.28Å; Y24-S26 VanDerWaalsContact O-N 3.09Å
25	S	45.9	Very low	56.2	Low	106 Å²	106	99.7 Å²	99.7	74%	0.741	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-48.9	116.8	160.7	168.2	0	0	0	0	106.7	S23 S27	S23-S25 PolarHBondContact O-N 2.92Å; S25-S27 PolarHBondContact O-N 3.3Å
26	S	54.3	Low	59.2	Low	101 Å²	101	95 Å²	95	71%	0.706	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-49.3	130	173.1	51.3	0	0	0	0	109.1	Y24	Y24-S26 PolarHBondContact O-N 3.28Å; Y24-S26 VanDerWaalsContact O-N 3.09Å
27	S	67.5	Low	62.2	Low	77 Å²	77	88.2 Å²	88.2	54%	0.538	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-47.4	133.5	173.1	-60.7	0	0	0	0	109.3	S25 K29	S25-S27 PolarHBondContact O-N 3.3Å; S27-K29 PolarHBondContact O-N 3.32Å
28	P	76.8	Confident	65.2	Low	28 Å²	28	81.8 Å²	81.8	18%	0.182	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-56.1	131.7	-178.1	24.3	-34.2	0	0	0	109.5	G30 V32 L194 L405 A406	P28-G30 PolarHBondContact O-N 3.4Å; P28-V32 HydrophobicContact CB-CG2 4.23Å; P28-V32 HydrophobicContact CG-CG2 3.69Å; P28-L194 HydrophobicContact CB-CD1 3.68Å; P28-L194 HydrophobicContact CG-CD1 3.68Å; P28-L405 VanDerWaalsContact CD-O 3.29Å; P28-L405 WeakPolarHBondContact CD-O 3.41Å; P28-A406 HydrophobicContact CG-CB 4.47Å
29	K	73.2	Confident	68.3	Low	200 Å²	200	73 Å²	73	87%	0.87	43%	0.433	S	S	*	.	S	Bend	trans	-77	123.6	174.6	-68.2	-174.2	178.9	-177.8	0	109.1	S27 N165	S27-K29 PolarHBondContact O-N 3.32Å; K29-N165 PolarHBondContact O-ND2 2.84Å
30	G	80.6	Confident	71.6	Confident	58 Å²	58	69.1 Å²	69.1	60%	0.598	41%	0.407	S	S	*	.	S	Bend	trans	95.7	173.8	178.3	0	0	0	0	0	113.7	P28	P28-G30 PolarHBondContact O-N 3.4Å
31	H	87.5	Confident	74.9	Confident	97 Å²	97	63.7 Å²	63.7	45%	0.449	38%	0.379	S	S	.	.			trans	-58.6	141.3	-179.4	-64.5	-74.3	0	0	0	112	L159	H31-L159 HydrophobicContact CB-CD1 4.01Å
32	V	94.8	Very high	78.3	Confident	10 Å²	10	59.7 Å²	59.7	6%	0.061	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	114.3	169.5	-173.2	0	0	0	0	108.3	P28 N165 V167 L194 G402 A406	P28-V32 HydrophobicContact CB-CG2 4.23Å; P28-V32 HydrophobicContact CG-CG2 3.69Å; V32-N165 WeakPolarHBondContact CA-O 3.15Å; V32-N165 HydrophobicContact CG2-CB 4.07Å; V32-V167 HydrophobicContact CG1-CG2 3.92Å; V32-L194 HydrophobicContact CG1-CD1 3.93Å; V32-L194 HydrophobicContact CG2-CD1 3.79Å; V32-G402 VanDerWaalsContact CG1-CA 3.45Å; V32-A406 HydrophobicContact CG2-CB 4.27Å
33	V	97.3	Very high	81.8	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	134.2	-176.6	179.4	0	0	0	0	110.2	I35 V44 V46 A155 L159 V163 N165 V166 V167	V33-I35 HydrophobicContact CG1-CG1 4.08Å; V33-V44 HydrophobicContact CG1-CG2 3.28Å; V33-V46 HydrophobicContact CG1-CG1 4.27Å; V33-V46 HydrophobicContact CG2-CG1 4.05Å; V33-A155 HydrophobicContact CG1-CB 3.96Å; V33-A155 HydrophobicContact CG2-CB 4.02Å; V33-L159 HydrophobicContact CG2-CD1 4.38Å; V33-V163 HydrophobicContact CB-CG1 4.1Å; V33-V163 HydrophobicContact CG2-CB 4.34Å; V33-V163 HydrophobicContact CG2-CG1 3.5Å; V33-V163 VanDerWaalsContact CG2-CG1 3.5Å; V33-V163 HydrophobicContact CG2-CG2 3.82Å; V33-N165 PolarHBondContact N-O 2.93Å; V33-V166 HydrophobicContact CB-CG1 4.22Å; V33-V166 CarbonylContact O-C 3.44Å; V33-V166 VanDerWaalsContact O-CA 3.24Å; V33-V166 WeakPolarHBondContact O-CA 3.38Å; V33-V167 PolarHBondContact O-N 3.35Å
34	G	98.3	Very high	85.2	Confident	0 Å²	0	49 Å²	49	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	124.2	172.7	0	0	0	0	0	111	V44 A45	G34-V44 WeakPolarHBondContact O-CA 3.41Å; G34-A45 PolarHBondContact N-O 3.48Å; G34-A45 PolarHBondContact O-N 3.1Å
35	I	98.6	Very high	88.3	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	118.9	179.7	-56.8	172.5	0	0	0	109.5	V33 V44 L148 M151 V166 V167 I168 T169 M191	V33-I35 HydrophobicContact CG1-CG1 4.08Å; I35-V44 HydrophobicContact CG1-CG2 4.03Å; I35-L148 HydrophobicContact CB-CD2 4.43Å; I35-L148 HydrophobicContact CD1-CD2 4.14Å; I35-L148 HydrophobicContact CG2-CD2 3.72Å; I35-M151 HydrophobicContact CD1-CB 4.05Å; I35-M151 HydrophobicContact CG1-CB 4.34Å; I35-M151 HydrophobicContact CG2-CB 4.09Å; I35-M151 HydrophobicContact CG2-CG 3.88Å; I35-V166 HydrophobicContact CD1-CB 4.41Å; I35-V166 HydrophobicContact CD1-CG1 4.01Å; I35-V167 PolarHBondContact N-O 3.04Å; I35-I168 WeakPolarHBondContact O-CA 3.46Å; I35-T169 PolarHBondContact O-N 3.3Å; I35-M191 HydrophobicContact CD1-CE 3.97Å; I35-M191 HydrophobicContact CD1-SD 4.2Å
36	D	98.4	Very high	90.7	Very high	21 Å²	21	34.2 Å²	34.2	11%	0.112	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	108.2	160.7	-178.7	19.1	0	0	0	109.7	G38 S42 C43 T169 V394 A395	D36-G38 PolarHBondContact O-N 3.41Å; D36-S42 CarbonylContact O-C 3.58Å; D36-S42 WeakPolarHBondContact O-CA 3.36Å; D36-S42 WeakPolarHBondContact O-CB 2.99Å; D36-S42 PolarHBondContact O-OG 3.31Å; D36-C43 HydrophobicContact CB-CB 4.18Å; D36-C43 PolarHBondContact N-O 2.83Å; D36-C43 PolarHBondContact O-N 3.16Å; D36-T169 VanDerWaalsContact CA-OG1 3.3Å; D36-T169 WeakPolarHBondContact CA-OG1 3.1Å; D36-T169 PolarHBondContact OD1-OG1 3.21Å; D36-V394 HydrophobicContact CB-CB 4.2Å; D36-V394 HydrophobicContact CB-CG1 3.83Å; D36-V394 VanDerWaalsContact CG-CG1 3.47Å; D36-A395 HydrophobicContact CB-CB 3.91Å
37	L	97.7	Very high	92.7	Very high	8 Å²	8	30.5 Å²	30.5	4%	0.042	18%	0.176	C	C	.	.			trans	-94.2	80.8	175.5	178.5	62	0	0	0	108.7	K98 V147 L148 I168 T169 T182	L37-K98 WeakPolarHBondContact O-CD 3.41Å; L37-K98 WeakPolarHBondContact O-CE 3.39Å; L37-K98 PolarHBondContact O-NZ 3.3Å; L37-V147 HydrophobicContact CD1-CB 4.14Å; L37-V147 HydrophobicContact CD1-CG1 3.88Å; L37-L148 HydrophobicContact CB-CD2 4.33Å; L37-L148 HydrophobicContact CD1-CD2 4.22Å; L37-L148 HydrophobicContact CD1-CG 4.29Å; L37-L148 HydrophobicContact CD2-CD1 4.27Å; L37-L148 HydrophobicContact CD2-CD2 4.27Å; L37-L148 HydrophobicContact CD2-CG 4.25Å; L37-I168 HydrophobicContact CB-CG2 4.11Å; L37-T169 PolarHBondContact N-OG1 2.84Å; L37-T182 HydrophobicContact CD2-CG2 4.16Å
38	G	96.9	Very high	93.8	Very high	11 Å²	11	31 Å²	31	11%	0.113	17%	0.17	C	C	.	.			trans	-82.9	166.2	-176	0	0	0	0	0	114.2	D36 N41 S42 S66	D36-G38 PolarHBondContact O-N 3.41Å; G38-N41 CarbonylContact C-O 3.58Å; G38-N41 WeakPolarHBondContact CA-O 3.37Å; G38-N41 PolarHBondContact N-O 2.79Å; G38-S42 PolarHBondContact N-OG 3.16Å; G38-S66 WeakPolarHBondContact O-CB 3.24Å; G38-S66 PolarHBondContact O-OG 2.87Å
39	T	96.9	Very high	94.3	Very high	6 Å²	6	32.4 Å²	32.4	4%	0.037	19%	0.189	C	C	.	.	S	Bend	trans	-66.4	-39.4	178.3	-57	0	0	0	0	112.8	A96 K98 R99	T39-A96 HydrophobicContact CG2-CB 3.93Å; T39-K98 HydrophobicContact CG2-CB 4.45Å; T39-R99 HydrophobicContact CG2-CG 4.05Å
40	T	97.1	Very high	94.9	Very high	31 Å²	31	30 Å²	30	19%	0.19	18%	0.179	C	C	.	.	S	Bend	trans	-107.7	-42.3	-176.4	-54.5	0	0	0	0	111.8	P65 S66 G224	T40-P65 CarbonylContact O-C 3.53Å; T40-P65 WeakPolarHBondContact O-CA 3.44Å; T40-S66 PolarHBondContact O-N 3.4Å; T40-G224 WeakPolarHBondContact OG1-CA 3.24Å
41	N	98	Very high	95.4	Very high	62 Å²	62	31.8 Å²	31.8	33%	0.332	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	146.9	178.7	-58.2	-60	0	0	0	109.3	G38 T64	G38-N41 CarbonylContact C-O 3.58Å; G38-N41 WeakPolarHBondContact CA-O 3.37Å; G38-N41 PolarHBondContact N-O 2.79Å; N41-T64 CarbonylContact C-O 3.58Å; N41-T64 WeakPolarHBondContact CA-O 3.32Å
42	S	98.6	Very high	95.7	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.007	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	152.6	169.3	-65.9	0	0	0	0	110.2	D36 G38 T63 T64 S66 V147	D36-S42 CarbonylContact O-C 3.58Å; D36-S42 WeakPolarHBondContact O-CA 3.36Å; D36-S42 WeakPolarHBondContact O-CB 2.99Å; D36-S42 PolarHBondContact O-OG 3.31Å; G38-S42 PolarHBondContact N-OG 3.16Å; S42-T63 CarbonylContact O-C 3.5Å; S42-T63 WeakPolarHBondContact O-CA 3.32Å; S42-T64 PolarHBondContact N-O 2.89Å; S42-T64 PolarHBondContact O-N 3.31Å; S42-S66 PolarHBondContact N-OG 3.27Å; S42-S66 PolarHBondContact OG-OG 3.12Å; S42-S66 VanDerWaalsContact OG-OG 3.06Å; S42-V147 VanDerWaalsContact OG-CG1 3.31Å; S42-V147 WeakPolarHBondContact OG-CG1 3.36Å
43	C	98.6	Very high	95.8	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.007	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	143	-177.9	-175.6	0	0	0	0	109.2	D36 V54 R62 T63 A395	D36-C43 HydrophobicContact CB-CB 4.18Å; D36-C43 PolarHBondContact N-O 2.83Å; D36-C43 PolarHBondContact O-N 3.16Å; C43-V54 WeakPolarHBondContact SG-CG1 3.2Å; C43-R62 PolarHBondContact SG-O 3.01Å; C43-T63 HydrophobicContact CB-CG2 4.21Å; C43-A395 HydrophobicContact CB-CB 3.76Å; C43-A395 VanDerWaalsContact SG-CB 3.52Å
44	V	98.6	Very high	95.9	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.018	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	135.5	-177.7	60.3	0	0	0	0	110.2	V33 G34 I35 V54 L55 M151 T154 A155	V33-V44 HydrophobicContact CG1-CG2 3.28Å; G34-V44 WeakPolarHBondContact O-CA 3.41Å; I35-V44 HydrophobicContact CG1-CG2 4.03Å; V44-V54 WeakPolarHBondContact O-CA 3.44Å; V44-L55 HydrophobicContact CG1-CB 4.23Å; V44-L55 PolarHBondContact O-N 3.34Å; V44-M151 HydrophobicContact CB-CB 4.23Å; V44-M151 HydrophobicContact CB-SD 4.24Å; V44-M151 HydrophobicContact CG1-SD 4.2Å; V44-T154 HydrophobicContact CG1-CG2 3.74Å; V44-A155 HydrophobicContact CG2-CB 4.19Å
45	A	98.4	Very high	95.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	155.3	179.8	0	0	0	0	0	112.1	G34 K53 V54 A395 A399	G34-A45 PolarHBondContact N-O 3.48Å; G34-A45 PolarHBondContact O-N 3.1Å; A45-K53 CarbonylContact C-O 3.55Å; A45-K53 WeakPolarHBondContact CA-O 3.4Å; A45-K53 WeakPolarHBondContact CB-O 3.36Å; A45-V54 HydrophobicContact CB-CG2 4.07Å; A45-A395 HydrophobicContact CB-CB 4.13Å; A45-A395 WeakPolarHBondContact CB-O 3.36Å; A45-A399 HydrophobicContact CB-CB 3.83Å
46	V	97.2	Very high	95.8	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.018	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	164.1	177	-61	0	0	0	0	109.9	V33 P52 K53 L55 Y158 L159	V33-V46 HydrophobicContact CG1-CG1 4.27Å; V33-V46 HydrophobicContact CG2-CG1 4.05Å; V46-P52 CarbonylContact O-C 3.54Å; V46-P52 WeakPolarHBondContact O-CA 3.18Å; V46-K53 PolarHBondContact N-O 2.94Å; V46-K53 PolarHBondContact O-N 2.59Å; V46-L55 HydrophobicContact CG1-CD1 3.81Å; V46-L55 HydrophobicContact CG1-CG 4.49Å; V46-L55 HydrophobicContact CG2-CD1 4.34Å; V46-L55 HydrophobicContact CG2-CD2 3.91Å; V46-L55 HydrophobicContact CG2-CG 4.36Å; V46-Y158 HydrophobicContact CG2-CD1 4.45Å; V46-Y158 HydrophobicContact CG2-CE1 4.35Å; V46-L159 HydrophobicContact CG1-CD1 4.31Å
47	M	94.9	Very high	95.8	Very high	24 Å²	24	37.1 Å²	37.1	12%	0.118	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	122.7	169	-65.3	-57.3	-62.9	0	0	109.9	K50 P52 A399 I400 V409	M47-K50 VanDerWaalsContact CE-C 3.46Å; M47-K50 WeakPolarHBondContact CE-O 3.36Å; M47-P52 HydrophobicContact SD-CB 3.91Å; M47-A399 HydrophobicContact CG-CB 4.44Å; M47-A399 VanDerWaalsContact CG-O 3.25Å; M47-A399 WeakPolarHBondContact CG-O 3.31Å; M47-A399 VanDerWaalsContact SD-C 3.57Å; M47-A399 HydrophobicContact SD-CB 4.14Å; M47-I400 HydrophobicContact SD-CG1 4.08Å; M47-V409 HydrophobicContact CE-CG2 3.82Å
48	E	90.9	Very high	95.6	Very high	87 Å²	87	41.2 Å²	41.2	41%	0.407	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	92.6	165.1	-68.2	-161.7	151	0	0	108.7	K50 Q51 K53 Y158	E48-K50 PolarHBondContact O-N 3.44Å; E48-K50 VanDerWaalsContact O-N 3.12Å; E48-Q51 PolarHBondContact N-O 2.97Å; E48-Q51 PolarHBondContact O-N 3.41Å; E48-K53 HydrophobicContact CG-CB 4.27Å; E48-K53 HydrophobicContact CG-CD 4.03Å; E48-K53 IonicContact OE1-NZ 3.73Å; E48-K53 PolarHBondContact OE1-NZ 2.8Å; E48-K53 WeakPolarHBondContact OE2-CD 3.44Å; E48-K53 IonicContact OE2-NZ 3.51Å; E48-K53 PolarHBondContact OE2-NZ 3.2Å; E48-Y158 WeakPolarHBondContact OE1-CE1 3.3Å; E48-Y158 PolarHBondContact OE1-OH 3.03Å
49	G	87.4	Confident	95.5	Very high	58 Å²	58	44 Å²	44	60%	0.598	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.5	-114.6	-167.7	0	0	0	0	0	110.3
50	K	86	Confident	95.5	Very high	148 Å²	148	46 Å²	46	64%	0.643	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-6.9	-179.6	-64.4	-169.4	175.9	-167.6	0	114.3	M47 E48	M47-K50 VanDerWaalsContact CE-C 3.46Å; M47-K50 WeakPolarHBondContact CE-O 3.36Å; E48-K50 PolarHBondContact O-N 3.44Å; E48-K50 VanDerWaalsContact O-N 3.12Å
51	Q	91	Very high	95.5	Very high	97 Å²	97	47.4 Å²	47.4	45%	0.453	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	128.3	-173.4	-69.6	-65.8	-37.5	0	0	110.4	E48	E48-Q51 PolarHBondContact N-O 2.97Å; E48-Q51 PolarHBondContact O-N 3.41Å
52	P	95.1	Very high	95.5	Very high	24 Å²	24	48.8 Å²	48.8	16%	0.156	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	143.5	173.9	31.5	-35.4	0	0	0	110.6	V46 M47 L209 M396 A399 I400	V46-P52 CarbonylContact O-C 3.54Å; V46-P52 WeakPolarHBondContact O-CA 3.18Å; M47-P52 HydrophobicContact SD-CB 3.91Å; P52-L209 HydrophobicContact CG-CD2 4.44Å; P52-M396 HydrophobicContact CB-CB 3.98Å; P52-M396 HydrophobicContact CB-CG 4.24Å; P52-M396 HydrophobicContact CG-CB 4.14Å; P52-M396 HydrophobicContact CG-CG 4.43Å; P52-M396 HydrophobicContact CG-SD 4.5Å; P52-A399 HydrophobicContact CB-CB 4.46Å; P52-I400 HydrophobicContact CB-CG1 4.13Å; P52-I400 HydrophobicContact CG-CD1 4.08Å; P52-I400 HydrophobicContact CG-CG1 4.07Å
53	K	96.5	Very high	95.5	Very high	76 Å²	76	50.7 Å²	50.7	33%	0.33	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	121.6	178.5	-177.3	175.3	-171.3	171	0	111.1	A45 V46 E48 L55 Y158	A45-K53 CarbonylContact C-O 3.55Å; A45-K53 WeakPolarHBondContact CA-O 3.4Å; A45-K53 WeakPolarHBondContact CB-O 3.36Å; V46-K53 PolarHBondContact N-O 2.94Å; V46-K53 PolarHBondContact O-N 2.59Å; E48-K53 HydrophobicContact CG-CB 4.27Å; E48-K53 HydrophobicContact CG-CD 4.03Å; E48-K53 IonicContact OE1-NZ 3.73Å; E48-K53 PolarHBondContact OE1-NZ 2.8Å; E48-K53 WeakPolarHBondContact OE2-CD 3.44Å; E48-K53 IonicContact OE2-NZ 3.51Å; E48-K53 PolarHBondContact OE2-NZ 3.2Å; K53-L55 HydrophobicContact CG-CD2 4.39Å; K53-Y158 WeakPolarHBondContact CE-OH 3.48Å; K53-Y158 PolarHBondContact NZ-OH 3.22Å
54	V	98.1	Very high	95.5	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.024	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	138.3	169.1	170.6	0	0	0	0	110	C43 V44 A45 R62 E392 M396	C43-V54 WeakPolarHBondContact SG-CG1 3.2Å; V44-V54 WeakPolarHBondContact O-CA 3.44Å; A45-V54 HydrophobicContact CB-CG2 4.07Å; V54-R62 HydrophobicContact CG1-CB 3.99Å; V54-R62 PolarHBondContact O-NH1 2.69Å; V54-R62 VanDerWaalsContact O-NH1 3.1Å; V54-E392 HydrophobicContact CG1-CG 4.44Å; V54-E392 HydrophobicContact CG2-CB 3.97Å; V54-E392 HydrophobicContact CG2-CG 4.11Å; V54-M396 HydrophobicContact CG2-CG 3.7Å; V54-M396 HydrophobicContact CG2-SD 4.45Å
55	L	98.3	Very high	95.5	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.021	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-101.1	147.4	-176	-52.6	-177.7	0	0	0	111.7	V44 V46 K53 T154 A155 Y158	V44-L55 HydrophobicContact CG1-CB 4.23Å; V44-L55 PolarHBondContact O-N 3.34Å; V46-L55 HydrophobicContact CG1-CD1 3.81Å; V46-L55 HydrophobicContact CG1-CG 4.49Å; V46-L55 HydrophobicContact CG2-CD1 4.34Å; V46-L55 HydrophobicContact CG2-CD2 3.91Å; V46-L55 HydrophobicContact CG2-CG 4.36Å; K53-L55 HydrophobicContact CG-CD2 4.39Å; L55-T154 HydrophobicContact CB-CG2 4.09Å; L55-A155 HydrophobicContact CD1-CB 4.04Å; L55-Y158 HydrophobicContact CD1-CD1 4.04Å; L55-Y158 HydrophobicContact CD1-CG 4Å; L55-Y158 HydrophobicContact CD2-CD1 3.5Å; L55-Y158 VanDerWaalsContact CD2-CD1 3.5Å; L55-Y158 HydrophobicContact CD2-CD2 3.88Å; L55-Y158 HydrophobicContact CD2-CE1 3.77Å; L55-Y158 HydrophobicContact CD2-CE2 4.13Å; L55-Y158 HydrophobicContact CD2-CG 3.57Å; L55-Y158 HydrophobicContact CG-CD1 4.42Å; L55-Y158 HydrophobicContact CG-CG 4.35Å
56	E	98.1	Very high	95.5	Very high	121 Å²	121	51.9 Å²	51.9	57%	0.565	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-85	136.6	171.3	-69.7	173.4	-172.8	0	0	110	C61 R62 T154	E56-C61 WeakPolarHBondContact CA-O 3.45Å; E56-R62 HydrophobicContact CG-CG 3.78Å; E56-T154 VanDerWaalsContact O-CG2 3.27Å; E56-T154 WeakPolarHBondContact O-CG2 3.46Å
57	N	97.4	Very high	95.5	Very high	11 Å²	11	52.3 Å²	52.3	6%	0.059	29%	0.292	C	S	.	.			trans	-72.9	176.3	171.8	67.3	16.8	0	0	0	111.5	E59 G60 C61 T63 T64 T154	N57-E59 PolarHBondContact ND2-OE2 3.04Å; N57-E59 PolarHBondContact O-N 3.22Å; N57-E59 WeakPolarHBondContact OD1-CA 3.37Å; N57-E59 WeakPolarHBondContact OD1-CB 3.29Å; N57-E59 PolarHBondContact OD1-N 2.77Å; N57-G60 PolarHBondContact O-N 3.22Å; N57-G60 PolarHBondContact OD1-N 3.04Å; N57-C61 VanDerWaalsContact CG-O 3.25Å; N57-C61 PolarHBondContact N-O 3.44Å; N57-C61 PolarHBondContact OD1-N 3.43Å; N57-C61 PolarHBondContact OD1-O 2.68Å; N57-T63 PolarHBondContact ND2-O 2.78Å; N57-T64 PolarHBondContact ND2-OG1 3.47Å; N57-T154 HydrophobicContact CB-CG2 4.33Å
58	S	94.2	Very high	95.7	Very high	94 Å²	94	51.2 Å²	51.2	66%	0.657	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-14.6	178	49.5	0	0	0	0	114.5	K150	S58-K150 PolarHBondContact OG-NZ 2.86Å
59	E	94.8	Very high	96	Very high	68 Å²	68	47.1 Å²	47.1	32%	0.318	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	6.4	174.8	-59.4	77.5	-136.2	0	0	112.7	N57 C61 A80 K150	N57-E59 PolarHBondContact ND2-OE2 3.04Å; N57-E59 PolarHBondContact O-N 3.22Å; N57-E59 WeakPolarHBondContact OD1-CA 3.37Å; N57-E59 WeakPolarHBondContact OD1-CB 3.29Å; N57-E59 PolarHBondContact OD1-N 2.77Å; E59-C61 VanDerWaalsContact C-N 3.31Å; E59-C61 PolarHBondContact O-N 2.75Å; E59-A80 HydrophobicContact CG-CB 4.44Å; E59-K150 IonicContact OE1-NZ 3.89Å; E59-K150 PolarHBondContact OE1-NZ 3.06Å; E59-K150 IonicContact OE2-NZ 2.63Å
60	G	96.1	Very high	96.4	Very high	49 Å²	49	45 Å²	45	51%	0.505	24%	0.241	S	C	.	.	S	Bend	trans	74.8	17.3	179.5	0	0	0	0	0	114.2	N57	N57-G60 PolarHBondContact O-N 3.22Å; N57-G60 PolarHBondContact OD1-N 3.04Å
61	C	97.4	Very high	96.8	Very high	60 Å²	60	38.9 Å²	38.9	41%	0.405	22%	0.216	S	C	.	.			trans	-106.5	138.9	-179	-63.4	0	0	0	0	110.9	E56 N57 E59 T63	E56-C61 WeakPolarHBondContact CA-O 3.45Å; N57-C61 VanDerWaalsContact CG-O 3.25Å; N57-C61 PolarHBondContact N-O 3.44Å; N57-C61 PolarHBondContact OD1-N 3.43Å; N57-C61 PolarHBondContact OD1-O 2.68Å; E59-C61 VanDerWaalsContact C-N 3.31Å; E59-C61 PolarHBondContact O-N 2.75Å; C61-T63 WeakPolarHBondContact CB-O 3.27Å; C61-T63 PolarHBondContact O-N 3.36Å
62	R	97.9	Very high	96.7	Very high	92 Å²	92	39.8 Å²	39.8	35%	0.347	23%	0.234	S	C	.	.	S	Bend	trans	-75.8	-12.4	177.6	-64.6	174.5	62.5	76.7	-10.9	113.9	C43 V54 E56 E392	C43-R62 PolarHBondContact SG-O 3.01Å; V54-R62 HydrophobicContact CG1-CB 3.99Å; V54-R62 PolarHBondContact O-NH1 2.69Å; V54-R62 VanDerWaalsContact O-NH1 3.1Å; E56-R62 HydrophobicContact CG-CG 3.78Å; R62-E392 IonicContact CZ-OE1 2.76Å; R62-E392 IonicContact CZ-OE2 2.94Å; R62-E392 IonicContact NE-OE1 3.28Å; R62-E392 PolarHBondContact NE-OE1 3.11Å; R62-E392 IonicContact NE-OE2 3.63Å; R62-E392 IonicContact NH2-OE1 2.77Å; R62-E392 IonicContact NH2-OE2 3.57Å; R62-E392 PolarHBondContact NH2-OE2 3.17Å
63	T	98.2	Very high	96.3	Very high	40 Å²	40	43.5 Å²	43.5	25%	0.245	25%	0.252	C	S	.	.	S	Bend	trans	-130.4	154.2	172.1	64.3	0	0	0	0	109.2	S42 C43 N57 C61	S42-T63 CarbonylContact O-C 3.5Å; S42-T63 WeakPolarHBondContact O-CA 3.32Å; C43-T63 HydrophobicContact CB-CG2 4.21Å; N57-T63 PolarHBondContact ND2-O 2.78Å; C61-T63 WeakPolarHBondContact CB-O 3.27Å; C61-T63 PolarHBondContact O-N 3.36Å
64	T	98.6	Very high	95.7	Very high	4 Å²	4	42.1 Å²	42.1	3%	0.025	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	127.9	-179.8	-59.5	0	0	0	0	109.3	N41 S42 N57 S66 K150 M151	N41-T64 CarbonylContact C-O 3.58Å; N41-T64 WeakPolarHBondContact CA-O 3.32Å; S42-T64 PolarHBondContact N-O 2.89Å; S42-T64 PolarHBondContact O-N 3.31Å; N57-T64 PolarHBondContact ND2-OG1 3.47Å; T64-S66 PolarHBondContact O-N 2.75Å; T64-K150 HydrophobicContact CG2-CG 4.16Å; T64-M151 HydrophobicContact CG2-CE 3.6Å; T64-M151 VanDerWaalsContact OG1-CE 3.26Å; T64-M151 WeakPolarHBondContact OG1-CE 3.5Å
65	P	98.3	Very high	95.3	Very high	18 Å²	18	45.4 Å²	45.4	12%	0.117	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	132.4	175	-27	34.8	0	0	0	112	T40 V67 G79 K83	T40-P65 CarbonylContact O-C 3.53Å; T40-P65 WeakPolarHBondContact O-CA 3.44Å; P65-V67 HydrophobicContact CB-CB 4.41Å; P65-V67 HydrophobicContact CB-CG2 3.92Å; P65-V67 PolarHBondContact O-N 3.37Å; P65-G79 WeakPolarHBondContact O-CA 3.32Å; P65-K83 HydrophobicContact CB-CB 4.37Å; P65-K83 HydrophobicContact CB-CD 4.28Å; P65-K83 HydrophobicContact CG-CD 4.26Å
66	S	98.4	Very high	95.1	Very high	7 Å²	7	46.5 Å²	46.5	5%	0.049	28%	0.278	C	S	.	.			trans	-77.9	56.4	175	-56.8	0	0	0	0	110.7	G38 T40 S42 T64	G38-S66 WeakPolarHBondContact O-CB 3.24Å; G38-S66 PolarHBondContact O-OG 2.87Å; T40-S66 PolarHBondContact O-N 3.4Å; S42-S66 PolarHBondContact N-OG 3.27Å; S42-S66 PolarHBondContact OG-OG 3.12Å; S42-S66 VanDerWaalsContact OG-OG 3.06Å; T64-S66 PolarHBondContact O-N 2.75Å
67	V	98.2	Very high	94.9	Very high	13 Å²	13	42 Å²	42	8%	0.079	26%	0.258	C	S	.	.			trans	-123.8	132.1	-175	-174.2	0	0	0	0	108.9	P65 V78 G79 A82 K83 T93 F94	P65-V67 HydrophobicContact CB-CB 4.41Å; P65-V67 HydrophobicContact CB-CG2 3.92Å; P65-V67 PolarHBondContact O-N 3.37Å; V67-V78 WeakPolarHBondContact O-CA 3.37Å; V67-G79 PolarHBondContact O-N 3.02Å; V67-A82 HydrophobicContact CB-CB 4.21Å; V67-A82 HydrophobicContact CG1-CB 3.84Å; V67-A82 WeakPolarHBondContact O-CB 3.32Å; V67-K83 HydrophobicContact CG2-CB 4.36Å; V67-T93 HydrophobicContact CG1-CG2 3.52Å; V67-F94 WeakPolarHBondContact CA-O 3.36Å
68	V	98.1	Very high	94.9	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	132.7	176	-178.8	0	0	0	0	108.7	F70 R76 L77 V78 T93 F94 I143 F146 V147	V68-F70 HydrophobicContact CG1-CE2 4.13Å; V68-F70 HydrophobicContact CG1-CZ 4.14Å; V68-R76 HydrophobicContact CG1-CG 4.19Å; V68-L77 CarbonylContact C-O 3.56Å; V68-L77 VanDerWaalsContact CA-O 3.32Å; V68-L77 WeakPolarHBondContact CA-O 3.25Å; V68-V78 HydrophobicContact CG1-CG2 4.47Å; V68-V78 HydrophobicContact CG2-CG1 4.43Å; V68-V78 HydrophobicContact CG2-CG2 4.32Å; V68-T93 CarbonylContact O-C 3.49Å; V68-F94 PolarHBondContact N-O 3.31Å; V68-F94 PolarHBondContact O-N 3.26Å; V68-I143 HydrophobicContact CB-CG2 4.05Å; V68-I143 HydrophobicContact CG2-CG2 3.76Å; V68-F146 HydrophobicContact CG1-CB 4.41Å; V68-F146 HydrophobicContact CG1-CD2 4.01Å; V68-F146 HydrophobicContact CG2-CB 4.03Å; V68-V147 HydrophobicContact CG2-CG2 3.88Å
69	A	97.9	Very high	95.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	148.4	176.3	0	0	0	0	0	111.8	R76 L77 A82 N92 T93	A69-R76 WeakPolarHBondContact O-CA 3.33Å; A69-L77 HydrophobicContact CB-CB 4.32Å; A69-L77 PolarHBondContact N-O 3.41Å; A69-L77 PolarHBondContact O-N 2.9Å; A69-A82 HydrophobicContact CB-CB 3.91Å; A69-N92 WeakPolarHBondContact CA-O 3.45Å; A69-T93 HydrophobicContact CB-CG2 4.09Å
70	F	96.2	Very high	95.2	Very high	14 Å²	14	36.2 Å²	36.2	6%	0.061	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	114.8	170.3	-60.7	-81.3	0	0	0	109	V68 E75 R76 N89 N92 F94 A133 H134 Y138 I143 F146	V68-F70 HydrophobicContact CG1-CE2 4.13Å; V68-F70 HydrophobicContact CG1-CZ 4.14Å; F70-E75 WeakPolarHBondContact CA-O 3.48Å; F70-R76 HydrophobicContact CD1-CB 4.25Å; F70-R76 HydrophobicContact CD1-CG 4.35Å; F70-R76 HydrophobicContact CE1-CB 4.09Å; F70-R76 HydrophobicContact CE1-CG 3.84Å; F70-R76 HydrophobicContact CZ-CG 4.42Å; F70-N89 PolarHBondContact O-ND2 3.45Å; F70-N92 PolarHBondContact N-O 2.87Å; F70-N92 WeakPolarHBondContact O-CB 3.47Å; F70-F94 HydrophobicContact CD2-CD2 4.42Å; F70-F94 AromaticContact CD2-CE2 3.96Å; F70-F94 HydrophobicContact CD2-CE2 3.96Å; F70-F94 AromaticContact CE2-CD2 3.98Å; F70-F94 HydrophobicContact CE2-CD2 3.98Å; F70-F94 AromaticContact CE2-CE2 3.63Å; F70-F94 HydrophobicContact CE2-CE2 3.63Å; F70-A133 HydrophobicContact CB-CB 4.32Å; F70-A133 HydrophobicContact CD2-CB 3.73Å; F70-A133 HydrophobicContact CG-CB 4.32Å; F70-H134 PolarHBondContact O-NE2 2.87Å; F70-Y138 HydrophobicContact CD2-CE2 4.37Å; F70-Y138 AromaticContact CE1-CE1 3.96Å; F70-Y138 HydrophobicContact CE1-CE1 3.96Å; F70-Y138 AromaticContact CE1-CZ 3.79Å; F70-Y138 WeakPolarHBondContact CE1-OH 3.49Å; F70-Y138 HydrophobicContact CE2-CD1 4.46Å; F70-Y138 HydrophobicContact CE2-CD2 4.29Å; F70-Y138 HydrophobicContact CE2-CE1 4.15Å; F70-Y138 AromaticContact CE2-CE2 4Å; F70-Y138 HydrophobicContact CE2-CE2 4Å; F70-Y138 AromaticContact CE2-CZ 3.91Å; F70-Y138 HydrophobicContact CZ-CD1 4.06Å; F70-Y138 AromaticContact CZ-CE1 3.5Å; F70-Y138 HydrophobicContact CZ-CE1 3.5Å; F70-Y138 HydrophobicContact CZ-CE2 4.12Å; F70-Y138 AromaticContact CZ-CZ 3.54Å; F70-I143 HydrophobicContact CE2-CD1 4.25Å; F70-I143 HydrophobicContact CZ-CD1 4.48Å; F70-F146 HydrophobicContact CZ-CD2 4.27Å; F70-F146 AromaticContact CZ-CE2 3.81Å; F70-F146 HydrophobicContact CZ-CE2 3.81Å
71	T	93.7	Very high	95.2	Very high	19 Å²	19	35.9 Å²	35.9	12%	0.117	22%	0.215	C	C	.	.			trans	-75.3	167	177.8	65	0	0	0	0	110.6	D73 G74 E75 L77 H134	T71-D73 VanDerWaalsContact C-N 3.28Å; T71-D73 WeakPolarHBondContact CB-OD1 3.48Å; T71-D73 PolarHBondContact O-N 2.93Å; T71-D73 PolarHBondContact OG1-OD1 3.44Å; T71-G74 PolarHBondContact O-N 2.79Å; T71-E75 HydrophobicContact CG2-CB 4.03Å; T71-E75 PolarHBondContact N-O 2.6Å; T71-E75 VanDerWaalsContact OG1-CA 3.32Å; T71-E75 WeakPolarHBondContact OG1-CA 3.38Å; T71-E75 WeakPolarHBondContact OG1-CB 3.19Å; T71-E75 PolarHBondContact OG1-N 2.83Å; T71-E75 PolarHBondContact OG1-O 2.8Å; T71-L77 HydrophobicContact CG2-CD1 3.73Å; T71-L77 HydrophobicContact CG2-CG 4.09Å; T71-H134 PolarHBondContact O-NE2 2.87Å
72	S	90	Very high	95.2	Very high	117 Å²	117	33 Å²	33	82%	0.818	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-26.9	-179.8	47.1	0	0	0	0	113.9
73	D	85.6	Confident	95.1	Very high	101 Å²	101	32.2 Å²	32.2	54%	0.54	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	5.7	173.3	64.2	-48.4	0	0	0	112.7	T71 R552	T71-D73 VanDerWaalsContact C-N 3.28Å; T71-D73 WeakPolarHBondContact CB-OD1 3.48Å; T71-D73 PolarHBondContact O-N 2.93Å; T71-D73 PolarHBondContact OG1-OD1 3.44Å; D73-R552 PolarHBondContact O-NH2 2.78Å
74	G	84.3	Confident	95	Very high	47 Å²	47	39.7 Å²	39.7	49%	0.485	22%	0.219	S	C	.	.			trans	76.9	19.7	176.6	0	0	0	0	0	114	T71 R552	T71-G74 PolarHBondContact O-N 2.79Å; G74-R552 PolarHBondContact O-NH1 2.83Å
75	E	89.4	Confident	94.8	Very high	74 Å²	74	41 Å²	41	35%	0.346	23%	0.225	S	C	.	.			trans	-70.6	137.7	165.9	-161.6	-172.5	-171.9	0	0	110.4	F70 T71 L77 R552	F70-E75 WeakPolarHBondContact CA-O 3.48Å; T71-E75 HydrophobicContact CG2-CB 4.03Å; T71-E75 PolarHBondContact N-O 2.6Å; T71-E75 VanDerWaalsContact OG1-CA 3.32Å; T71-E75 WeakPolarHBondContact OG1-CA 3.38Å; T71-E75 WeakPolarHBondContact OG1-CB 3.19Å; T71-E75 PolarHBondContact OG1-N 2.83Å; T71-E75 PolarHBondContact OG1-O 2.8Å; E75-L77 HydrophobicContact CG-CD2 4.14Å; E75-R552 VanDerWaalsContact CA-NH1 3.28Å
76	R	93.8	Very high	94.6	Very high	26 Å²	26	40.5 Å²	40.5	10%	0.098	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	114.7	172.7	179.2	-176.7	60.7	-168.8	-1.9	108.5	V68 A69 F70 V78 D549	V68-R76 HydrophobicContact CG1-CG 4.19Å; A69-R76 WeakPolarHBondContact O-CA 3.33Å; F70-R76 HydrophobicContact CD1-CB 4.25Å; F70-R76 HydrophobicContact CD1-CG 4.35Å; F70-R76 HydrophobicContact CE1-CB 4.09Å; F70-R76 HydrophobicContact CE1-CG 3.84Å; F70-R76 HydrophobicContact CZ-CG 4.42Å; R76-V78 HydrophobicContact CG-CG2 4.45Å; R76-D549 IonicContact CZ-OD2 3.28Å; R76-D549 IonicContact NE-OD2 3.35Å; R76-D549 IonicContact NH2-OD2 2.71Å; R76-D549 PolarHBondContact NH2-OD2 2.92Å
77	L	95.6	Very high	94.3	Very high	28 Å²	28	42 Å²	42	15%	0.147	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	142.8	175.2	-58.2	175.4	0	0	0	109.9	V68 A69 T71 E75 P81 A82 Q85	V68-L77 CarbonylContact C-O 3.56Å; V68-L77 VanDerWaalsContact CA-O 3.32Å; V68-L77 WeakPolarHBondContact CA-O 3.25Å; A69-L77 HydrophobicContact CB-CB 4.32Å; A69-L77 PolarHBondContact N-O 3.41Å; A69-L77 PolarHBondContact O-N 2.9Å; T71-L77 HydrophobicContact CG2-CD1 3.73Å; T71-L77 HydrophobicContact CG2-CG 4.09Å; E75-L77 HydrophobicContact CG-CD2 4.14Å; L77-P81 HydrophobicContact CB-CB 4.41Å; L77-P81 HydrophobicContact CD2-CB 4.26Å; L77-A82 HydrophobicContact CB-CB 3.92Å; L77-Q85 HydrophobicContact CD1-CG 3.79Å
78	V	97.3	Very high	94	Very high	23 Å²	23	46.8 Å²	46.8	14%	0.139	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	140.1	176.2	-175.3	0	0	0	0	109.3	V67 V68 R76 P81 F146 V147 K150	V67-V78 WeakPolarHBondContact O-CA 3.37Å; V68-V78 HydrophobicContact CG1-CG2 4.47Å; V68-V78 HydrophobicContact CG2-CG1 4.43Å; V68-V78 HydrophobicContact CG2-CG2 4.32Å; R76-V78 HydrophobicContact CG-CG2 4.45Å; V78-P81 WeakPolarHBondContact O-CD 3.03Å; V78-F146 HydrophobicContact CG2-CB 4.21Å; V78-V147 HydrophobicContact CG1-CG2 4.38Å; V78-K150 HydrophobicContact CB-CB 4.4Å; V78-K150 HydrophobicContact CG1-CB 3.82Å; V78-K150 HydrophobicContact CG1-CG 4.22Å
79	G	97.9	Very high	93.9	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.266	C	S	.	.	S	Bend	trans	84.7	-141.2	174.9	0	0	0	0	0	114.2	P65 V67 A82 K83	P65-G79 WeakPolarHBondContact O-CA 3.32Å; V67-G79 PolarHBondContact O-N 3.02Å; G79-A82 PolarHBondContact O-N 2.88Å; G79-A82 VanDerWaalsContact O-N 3.16Å; G79-K83 PolarHBondContact O-N 3.29Å
80	A	96.8	Very high	93.6	Very high	27 Å²	27	48.5 Å²	48.5	22%	0.223	27%	0.27	C	S	.	.	H	α-helix	trans	-58.9	-39.8	-178.4	0	0	0	0	0	113.9	E59 A82 K83 R84	E59-A80 HydrophobicContact CG-CB 4.44Å; A80-A82 VanDerWaalsContact C-N 3.34Å; A80-A82 PolarHBondContact O-N 2.89Å; A80-K83 PolarHBondContact O-N 3.38Å; A80-R84 WeakPolarHBondContact O-CB 3.33Å; A80-R84 PolarHBondContact O-N 3.25Å
81	P	95.7	Very high	93.5	Very high	42 Å²	42	50.2 Å²	50.2	27%	0.273	29%	0.287	S	S	.	.	H	α-helix	trans	-57.1	-44.4	172.5	-26.7	35.6	0	0	0	113	L77 V78 R84 Q85	L77-P81 HydrophobicContact CB-CB 4.41Å; L77-P81 HydrophobicContact CD2-CB 4.26Å; V78-P81 WeakPolarHBondContact O-CD 3.03Å; P81-R84 PolarHBondContact O-N 2.88Å; P81-Q85 WeakPolarHBondContact O-CG 3.48Å
82	A	97.5	Very high	93.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-66.2	-43.6	177.6	0	0	0	0	0	112	V67 A69 L77 G79 A80 R84 Q85 A86	V67-A82 HydrophobicContact CB-CB 4.21Å; V67-A82 HydrophobicContact CG1-CB 3.84Å; V67-A82 WeakPolarHBondContact O-CB 3.32Å; A69-A82 HydrophobicContact CB-CB 3.91Å; L77-A82 HydrophobicContact CB-CB 3.92Å; G79-A82 PolarHBondContact O-N 2.88Å; G79-A82 VanDerWaalsContact O-N 3.16Å; A80-A82 VanDerWaalsContact C-N 3.34Å; A80-A82 PolarHBondContact O-N 2.89Å; A82-R84 VanDerWaalsContact C-N 3.33Å; A82-R84 PolarHBondContact O-N 2.85Å; A82-Q85 PolarHBondContact O-NE2 2.9Å; A82-A86 PolarHBondContact O-N 3.04Å
83	K	96	Very high	94	Very high	75 Å²	75	45.1 Å²	45.1	33%	0.326	25%	0.25	S	S	.	.	H	α-helix	trans	-61.3	-40.4	177.2	-172.7	168.7	-177.1	167	0	111.7	P65 V67 G79 A80 Q85 A86 E290	P65-K83 HydrophobicContact CB-CB 4.37Å; P65-K83 HydrophobicContact CB-CD 4.28Å; P65-K83 HydrophobicContact CG-CD 4.26Å; V67-K83 HydrophobicContact CG2-CB 4.36Å; G79-K83 PolarHBondContact O-N 3.29Å; A80-K83 PolarHBondContact O-N 3.38Å; K83-Q85 PolarHBondContact O-N 2.98Å; K83-A86 VanDerWaalsContact O-CB 3.29Å; K83-A86 WeakPolarHBondContact O-CB 3.28Å; K83-A86 PolarHBondContact O-N 2.93Å; K83-E290 IonicContact NZ-OE1 3.5Å; K83-E290 PolarHBondContact NZ-OE1 3.46Å; K83-E290 IonicContact NZ-OE2 2.67Å; K83-E290 PolarHBondContact NZ-OE2 2.98Å
84	R	95.1	Very high	94.6	Very high	198 Å²	198	40.3 Å²	40.3	75%	0.747	22%	0.224	S	C	*	.	H	α-helix	trans	-63.2	-38.8	-176.3	-170.8	-176.5	-61.9	152.5	1.4	113.7	A80 P81 A82	A80-R84 WeakPolarHBondContact O-CB 3.33Å; A80-R84 PolarHBondContact O-N 3.25Å; P81-R84 PolarHBondContact O-N 2.88Å; A82-R84 VanDerWaalsContact C-N 3.33Å; A82-R84 PolarHBondContact O-N 2.85Å
85	Q	94.5	Very high	95.1	Very high	32 Å²	32	39.7 Å²	39.7	15%	0.15	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-0.4	-177.9	63.4	74.8	71	0	0	114.1	L77 P81 A82 K83 V87 T88 N89 T93	L77-Q85 HydrophobicContact CD1-CG 3.79Å; P81-Q85 WeakPolarHBondContact O-CG 3.48Å; A82-Q85 PolarHBondContact O-NE2 2.9Å; K83-Q85 PolarHBondContact O-N 2.98Å; Q85-V87 PolarHBondContact O-N 2.91Å; Q85-V87 VanDerWaalsContact O-N 3.14Å; Q85-T88 PolarHBondContact O-N 2.65Å; Q85-T88 VanDerWaalsContact O-N 3.13Å; Q85-T88 PolarHBondContact O-OG1 2.8Å; Q85-T88 VanDerWaalsContact O-OG1 3.11Å; Q85-N89 PolarHBondContact O-N 2.88Å; Q85-N89 PolarHBondContact OE1-ND2 2.86Å; Q85-T93 PolarHBondContact NE2-OG1 3.02Å
86	A	94.2	Very high	95.4	Very high	7 Å²	7	36.7 Å²	36.7	6%	0.058	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-34.3	-176.2	0	0	0	0	0	112.4	A82 K83 T88 N89 S90 T93	A82-A86 PolarHBondContact O-N 3.04Å; K83-A86 VanDerWaalsContact O-CB 3.29Å; K83-A86 WeakPolarHBondContact O-CB 3.28Å; K83-A86 PolarHBondContact O-N 2.93Å; A86-T88 VanDerWaalsContact C-N 3.31Å; A86-T88 PolarHBondContact O-N 2.86Å; A86-N89 CarbonylContact O-C 3.5Å; A86-N89 PolarHBondContact O-N 2.76Å; A86-S90 VanDerWaalsContact O-CA 3.23Å; A86-S90 WeakPolarHBondContact O-CA 3.21Å; A86-S90 WeakPolarHBondContact O-CB 3.32Å; A86-S90 PolarHBondContact O-N 3.27Å; A86-T93 HydrophobicContact CB-CG2 3.78Å
87	V	92.1	Very high	95.5	Very high	38 Å²	38	36 Å²	36	23%	0.23	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-37	179.7	73.9	0	0	0	0	113.5	Q85 R284	Q85-V87 PolarHBondContact O-N 2.91Å; Q85-V87 VanDerWaalsContact O-N 3.14Å; V87-R284 HydrophobicContact CG2-CG 3.32Å
88	T	92.5	Very high	95.6	Very high	113 Å²	113	35.3 Å²	35.3	69%	0.693	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-9.7	-179	47.6	0	0	0	0	113.6	Q85 A86	Q85-T88 PolarHBondContact O-N 2.65Å; Q85-T88 VanDerWaalsContact O-N 3.13Å; Q85-T88 PolarHBondContact O-OG1 2.8Å; Q85-T88 VanDerWaalsContact O-OG1 3.11Å; A86-T88 VanDerWaalsContact C-N 3.31Å; A86-T88 PolarHBondContact O-N 2.86Å
89	N	94.9	Very high	95.5	Very high	26 Å²	26	34.4 Å²	34.4	14%	0.139	19%	0.189	C	C	.	.			trans	-142.7	41.4	-172.7	-171.8	26.2	0	0	0	111.9	F70 Q85 A86 A91 N92 T93	F70-N89 PolarHBondContact O-ND2 3.45Å; Q85-N89 PolarHBondContact O-N 2.88Å; Q85-N89 PolarHBondContact OE1-ND2 2.86Å; A86-N89 CarbonylContact O-C 3.5Å; A86-N89 PolarHBondContact O-N 2.76Å; N89-A91 PolarHBondContact O-N 3.16Å; N89-N92 PolarHBondContact O-N 2.74Å; N89-N92 VanDerWaalsContact O-N 3.16Å; N89-N92 WeakPolarHBondContact OD1-CB 3.21Å; N89-N92 PolarHBondContact OD1-ND2 3.35Å; N89-T93 WeakPolarHBondContact O-CB 3.16Å; N89-T93 PolarHBondContact O-N 2.8Å; N89-T93 PolarHBondContact O-OG1 2.95Å
90	S	93.1	Very high	95.4	Very high	11 Å²	11	34.6 Å²	34.6	8%	0.077	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-61.1	-31.5	-172.1	60.2	0	0	0	0	113.2	A86 N92 T93	A86-S90 VanDerWaalsContact O-CA 3.23Å; A86-S90 WeakPolarHBondContact O-CA 3.21Å; A86-S90 WeakPolarHBondContact O-CB 3.32Å; A86-S90 PolarHBondContact O-N 3.27Å; S90-N92 VanDerWaalsContact C-N 3.34Å; S90-N92 PolarHBondContact O-N 3.37Å; S90-T93 PolarHBondContact O-N 3.05Å
91	A	93.7	Very high	95.2	Very high	51 Å²	51	33.5 Å²	33.5	42%	0.421	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-67.1	-29.5	178.8	0	0	0	0	0	114	N89 F119	N89-A91 PolarHBondContact O-N 3.16Å; A91-F119 WeakPolarHBondContact O-CB 3.38Å
92	N	96.6	Very high	95	Very high	23 Å²	23	32.3 Å²	32.3	12%	0.123	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-112.4	18	-179.5	-50.3	-71.1	0	0	0	112.4	A69 F70 N89 S90 A133 H134	A69-N92 WeakPolarHBondContact CA-O 3.45Å; F70-N92 PolarHBondContact N-O 2.87Å; F70-N92 WeakPolarHBondContact O-CB 3.47Å; N89-N92 PolarHBondContact O-N 2.74Å; N89-N92 VanDerWaalsContact O-N 3.16Å; N89-N92 WeakPolarHBondContact OD1-CB 3.21Å; N89-N92 PolarHBondContact OD1-ND2 3.35Å; S90-N92 VanDerWaalsContact C-N 3.34Å; S90-N92 PolarHBondContact O-N 3.37Å; N92-A133 HydrophobicContact CB-CB 4.06Å; N92-A133 WeakPolarHBondContact OD1-CA 3.38Å; N92-H134 PolarHBondContact ND2-CE1 3.43Å; N92-H134 PolarHBondContact ND2-NE2 2.89Å; N92-H134 PolarHBondContact OD1-N 2.75Å; N92-H134 VanDerWaalsContact OD1-N 3.1Å
93	T	97.2	Very high	94.7	Very high	6 Å²	6	33.3 Å²	33.3	4%	0.037	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	106.9	177.5	-56	0	0	0	0	109.7	V67 V68 A69 Q85 A86 N89 S90 F119	V67-T93 HydrophobicContact CG1-CG2 3.52Å; V68-T93 CarbonylContact O-C 3.49Å; A69-T93 HydrophobicContact CB-CG2 4.09Å; Q85-T93 PolarHBondContact NE2-OG1 3.02Å; A86-T93 HydrophobicContact CB-CG2 3.78Å; N89-T93 WeakPolarHBondContact O-CB 3.16Å; N89-T93 PolarHBondContact O-N 2.8Å; N89-T93 PolarHBondContact O-OG1 2.95Å; S90-T93 PolarHBondContact O-N 3.05Å; T93-F119 VanDerWaalsContact O-CD1 3.31Å; T93-F119 WeakPolarHBondContact O-CD1 3.42Å
94	F	97.5	Very high	94.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	126.8	-177.1	-53.7	-38	0	0	0	110.8	V67 V68 F70 T97 F119 L131 A133 Y138 I143	V67-F94 WeakPolarHBondContact CA-O 3.36Å; V68-F94 PolarHBondContact N-O 3.31Å; V68-F94 PolarHBondContact O-N 3.26Å; F70-F94 HydrophobicContact CD2-CD2 4.42Å; F70-F94 AromaticContact CD2-CE2 3.96Å; F70-F94 HydrophobicContact CD2-CE2 3.96Å; F70-F94 AromaticContact CE2-CD2 3.98Å; F70-F94 HydrophobicContact CE2-CD2 3.98Å; F70-F94 AromaticContact CE2-CE2 3.63Å; F70-F94 HydrophobicContact CE2-CE2 3.63Å; F94-T97 HydrophobicContact CB-CG2 3.77Å; F94-F119 HydrophobicContact CD1-CB 3.66Å; F94-F119 HydrophobicContact CD1-CD1 4.08Å; F94-F119 AromaticContact CD1-CD2 3.99Å; F94-F119 HydrophobicContact CD1-CD2 3.99Å; F94-F119 AromaticContact CD1-CG 3.64Å; F94-F119 HydrophobicContact CD1-CG 3.64Å; F94-F119 HydrophobicContact CE1-CB 3.75Å; F94-F119 HydrophobicContact CE1-CD2 4.38Å; F94-F119 HydrophobicContact CE1-CG 4.14Å; F94-L131 HydrophobicContact CD1-CB 4.45Å; F94-L131 HydrophobicContact CD1-CD2 4.14Å; F94-L131 HydrophobicContact CD2-CB 4.5Å; F94-L131 HydrophobicContact CD2-CD1 4.41Å; F94-L131 HydrophobicContact CE1-CB 4.06Å; F94-L131 HydrophobicContact CE1-CD2 4.37Å; F94-L131 HydrophobicContact CE2-CB 4.07Å; F94-L131 HydrophobicContact CG-CD1 4.41Å; F94-L131 HydrophobicContact CG-CD2 4.5Å; F94-L131 HydrophobicContact CZ-CB 3.82Å; F94-A133 HydrophobicContact CE1-CB 4.29Å; F94-A133 HydrophobicContact CE2-CB 4Å; F94-A133 HydrophobicContact CZ-CB 3.46Å; F94-A133 VanDerWaalsContact CZ-CB 3.46Å; F94-Y138 HydrophobicContact CE2-CD2 4.2Å; F94-I143 HydrophobicContact CB-CG2 4.34Å; F94-I143 HydrophobicContact CD2-CD1 3.55Å; F94-I143 HydrophobicContact CD2-CG1 3.94Å; F94-I143 HydrophobicContact CE2-CD1 3.9Å; F94-I143 HydrophobicContact CE2-CG1 4.5Å
95	S	96	Very high	94.6	Very high	33 Å²	33	28.5 Å²	28.5	23%	0.231	16%	0.16	C	C	.	.			trans	-135.5	161.5	175.2	54.1	0	0	0	0	109.4	T97 F119	S95-T97 PolarHBondContact O-N 2.76Å; S95-F119 WeakPolarHBondContact O-CZ 3.4Å
96	A	95.9	Very high	94.6	Very high	12 Å²	12	31.2 Å²	31.2	10%	0.099	18%	0.175	C	C	.	.	S	Bend	trans	54.5	22.6	-179.6	0	0	0	0	0	115	T39 K98 R99 E253	T39-A96 HydrophobicContact CG2-CB 3.93Å; A96-K98 PolarHBondContact O-N 2.68Å; A96-K98 VanDerWaalsContact O-N 3.13Å; A96-R99 WeakPolarHBondContact O-CB 3.43Å; A96-R99 PolarHBondContact O-N 2.94Å; A96-E253 HydrophobicContact CB-CG 3.92Å
97	T	96.3	Very high	94.4	Very high	10 Å²	10	32.7 Å²	32.7	6%	0.061	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-66.3	-18.2	-175.3	57.1	0	0	0	0	113.5	F94 S95 R99 L100 I101 L131 I143	F94-T97 HydrophobicContact CB-CG2 3.77Å; S95-T97 PolarHBondContact O-N 2.76Å; T97-R99 PolarHBondContact O-N 3.33Å; T97-L100 WeakPolarHBondContact O-CA 3.37Å; T97-L100 WeakPolarHBondContact O-CB 3.27Å; T97-L100 PolarHBondContact O-N 3.47Å; T97-I101 PolarHBondContact O-N 3.02Å; T97-L131 HydrophobicContact CG2-CD1 3.64Å; T97-L131 HydrophobicContact CG2-CD2 4.46Å; T97-I143 HydrophobicContact CG2-CB 4.42Å; T97-I143 HydrophobicContact CG2-CG2 3.88Å
98	K	96	Very high	94.5	Very high	14 Å²	14	35 Å²	35	6%	0.061	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-59.9	-23	169	-163.9	179.4	-178.3	-173.7	0	112.6	L37 T39 A96 L100 I101 F174 E199	L37-K98 WeakPolarHBondContact O-CD 3.41Å; L37-K98 WeakPolarHBondContact O-CE 3.39Å; L37-K98 PolarHBondContact O-NZ 3.3Å; T39-K98 HydrophobicContact CG2-CB 4.45Å; A96-K98 PolarHBondContact O-N 2.68Å; A96-K98 VanDerWaalsContact O-N 3.13Å; K98-L100 PolarHBondContact O-N 3.23Å; K98-I101 HydrophobicContact CG-CG2 4.29Å; K98-I101 VanDerWaalsContact O-CG2 3.28Å; K98-I101 WeakPolarHBondContact O-CG2 3.41Å; K98-F174 HydrophobicContact CG-CZ 4.2Å; K98-E199 IonicContact NZ-OE1 3.23Å; K98-E199 PolarHBondContact NZ-OE1 3.48Å
99	R	95.3	Very high	94.5	Very high	5 Å²	5	32.4 Å²	32.4	2%	0.019	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-69.6	-23	171.4	-61.8	-168.8	86.8	180	19.4	112.9	T39 A96 T97 R103 D113 F249 D254	T39-R99 HydrophobicContact CG2-CG 4.05Å; A96-R99 WeakPolarHBondContact O-CB 3.43Å; A96-R99 PolarHBondContact O-N 2.94Å; T97-R99 PolarHBondContact O-N 3.33Å; R99-R103 WeakPolarHBondContact O-CD 3.46Å; R99-R103 PolarHBondContact O-NE 3.31Å; R99-D113 IonicContact CZ-OD1 3.44Å; R99-D113 IonicContact NE-OD2 2.88Å; R99-D113 IonicContact NH1-OD1 3.98Å; R99-D113 PolarHBondContact NH1-OD1 2.85Å; R99-D113 IonicContact NH1-OD2 2.97Å; R99-F249 HydrophobicContact CB-CE2 4.24Å; R99-F249 VanDerWaalsContact CZ-CD2 3.49Å; R99-F249 VanDerWaalsContact NE-CD2 3.31Å; R99-F249 VanDerWaalsContact NH2-CE1 3.29Å; R99-F249 VanDerWaalsContact NH2-CG 3.26Å; R99-F249 PolarHBondContact NH2-O 3.13Å; R99-D254 IonicContact CZ-OD1 2.94Å; R99-D254 IonicContact CZ-OD2 2.74Å; R99-D254 IonicContact NH1-OD1 2.66Å; R99-D254 PolarHBondContact NH1-OD1 3.03Å; R99-D254 VanDerWaalsContact NH2-CG 3.3Å; R99-D254 IonicContact NH2-OD1 2.85Å; R99-D254 PolarHBondContact NH2-OD1 2.98Å; R99-D254 IonicContact NH2-OD2 3Å; R99-D254 PolarHBondContact NH2-OD2 2.87Å
100	L	96	Very high	94.5	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.016	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-20.3	-178.1	-52.5	178	0	0	0	113	T97 K98 G102 R103 V110 D113 F119 I121 L131 P140	T97-L100 WeakPolarHBondContact O-CA 3.37Å; T97-L100 WeakPolarHBondContact O-CB 3.27Å; T97-L100 PolarHBondContact O-N 3.47Å; K98-L100 PolarHBondContact O-N 3.23Å; L100-G102 PolarHBondContact O-N 2.61Å; L100-R103 WeakPolarHBondContact O-CB 3.28Å; L100-R103 PolarHBondContact O-N 3.27Å; L100-R103 VanDerWaalsContact O-N 3.08Å; L100-V110 HydrophobicContact CD2-CG1 4.28Å; L100-V110 HydrophobicContact CD2-CG2 4.14Å; L100-D113 HydrophobicContact CD2-CB 4.36Å; L100-F119 HydrophobicContact CD1-CE2 4.44Å; L100-I121 HydrophobicContact CD1-CD1 3.86Å; L100-I121 HydrophobicContact CD1-CG1 4Å; L100-I121 HydrophobicContact CD2-CD1 3.98Å; L100-L131 HydrophobicContact CD1-CD2 3.78Å; L100-L131 HydrophobicContact CD1-CG 4.28Å; L100-P140 HydrophobicContact CB-CB 4.3Å; L100-P140 HydrophobicContact CB-CG 3.84Å
101	I	94	Very high	94.6	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.021	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	128.6	-175.4	-155.7	167.9	0	0	0	111	T97 K98 R103 P140 F174 Q178 A181	T97-I101 PolarHBondContact O-N 3.02Å; K98-I101 HydrophobicContact CG-CG2 4.29Å; K98-I101 VanDerWaalsContact O-CG2 3.28Å; K98-I101 WeakPolarHBondContact O-CG2 3.41Å; I101-R103 PolarHBondContact O-N 3.04Å; I101-P140 HydrophobicContact CB-CB 4.07Å; I101-P140 HydrophobicContact CG1-CB 4.2Å; I101-F174 HydrophobicContact CG2-CE2 3.93Å; I101-F174 HydrophobicContact CG2-CZ 4.02Å; I101-Q178 WeakPolarHBondContact O-CG 3.43Å; I101-A181 HydrophobicContact CD1-CB 4.36Å; I101-A181 HydrophobicContact CG1-CB 3.68Å
102	G	90.3	Very high	94.5	Very high	17 Å²	17	36.9 Å²	36.9	18%	0.175	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	14.7	-178.1	0	0	0	0	0	115.9	L100	L100-G102 PolarHBondContact O-N 2.61Å
103	R	92.1	Very high	94.3	Very high	21 Å²	21	36.6 Å²	36.6	8%	0.079	19%	0.185	C	C	.	.			trans	-104.8	154	177.4	-63.2	-165.5	-171.1	-97.5	-1.6	112.8	R99 L100 I101 D107 E109 V110 A129 T248	R99-R103 WeakPolarHBondContact O-CD 3.46Å; R99-R103 PolarHBondContact O-NE 3.31Å; L100-R103 WeakPolarHBondContact O-CB 3.28Å; L100-R103 PolarHBondContact O-N 3.27Å; L100-R103 VanDerWaalsContact O-N 3.08Å; I101-R103 PolarHBondContact O-N 3.04Å; R103-D107 WeakPolarHBondContact CB-OD2 3.37Å; R103-E109 IonicContact NH1-OE2 2.7Å; R103-V110 HydrophobicContact CB-CG2 3.7Å; R103-V110 HydrophobicContact CG-CG2 4.46Å; R103-A129 PolarHBondContact O-N 3.1Å; R103-A129 VanDerWaalsContact O-N 3.08Å; R103-T248 PolarHBondContact NH2-O 3.24Å; R103-T248 PolarHBondContact NH2-OG1 3.16Å
104	R	92.3	Very high	94.1	Very high	116 Å²	116	38.6 Å²	38.6	44%	0.438	20%	0.195	S	C	.	.	B	Isolated β-bridge	trans	-86.3	151.7	174.5	-58.9	-168.7	72.3	147.3	7.9	110.8	D106 D107 V110 N126	R104-D106 PolarHBondContact O-N 2.87Å; R104-D107 PolarHBondContact N-OD2 2.81Å; R104-D107 WeakPolarHBondContact O-CB 3.31Å; R104-D107 PolarHBondContact O-N 2.83Å; R104-D107 VanDerWaalsContact O-N 3.12Å; R104-V110 WeakPolarHBondContact O-CG2 3.05Å; R104-N126 PolarHBondContact NH2-O 2.88Å
105	Y	95.6	Very high	93.6	Very high	57 Å²	57	46.8 Å²	46.8	22%	0.224	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-39	177.8	-178	-95.2	0	0	0	112.2	D107 Q111 I114 I121 I122 K123 G127	Y105-D107 VanDerWaalsContact C-N 3.28Å; Y105-D107 PolarHBondContact O-N 2.89Å; Y105-Q111 PolarHBondContact O-NE2 2.77Å; Y105-I114 HydrophobicContact CD2-CD1 4.25Å; Y105-I114 HydrophobicContact CE1-CD1 4.44Å; Y105-I114 HydrophobicContact CE2-CD1 3.66Å; Y105-I121 HydrophobicContact CD2-CG2 4.27Å; Y105-I121 HydrophobicContact CE2-CG2 4.27Å; Y105-I122 WeakPolarHBondContact CD2-O 3.4Å; Y105-I122 VanDerWaalsContact CE2-C 3.47Å; Y105-K123 HydrophobicContact CD1-CB 3.8Å; Y105-K123 HydrophobicContact CD1-CD 3.88Å; Y105-K123 HydrophobicContact CD1-CG 4.08Å; Y105-K123 HydrophobicContact CD2-CB 3.82Å; Y105-K123 VanDerWaalsContact CD2-N 3.35Å; Y105-K123 HydrophobicContact CE1-CB 4.25Å; Y105-K123 HydrophobicContact CE2-CB 4.27Å; Y105-K123 HydrophobicContact CG-CB 3.55Å; Y105-K123 HydrophobicContact CG-CD 4.22Å; Y105-K123 HydrophobicContact CG-CG 3.9Å; Y105-G127 PolarHBondContact N-O 3.01Å
106	D	94.4	Very high	93.1	Very high	88 Å²	88	48.1 Å²	48.1	47%	0.471	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-0.7	-176.2	-51.2	-43.5	0	0	0	113.2	R104 K123	R104-D106 PolarHBondContact O-N 2.87Å; D106-K123 IonicContact OD1-NZ 3.27Å; D106-K123 PolarHBondContact OD1-NZ 2.92Å; D106-K123 IonicContact OD2-NZ 2.95Å; D106-K123 PolarHBondContact OD2-NZ 3.21Å
107	D	91.5	Very high	92.7	Very high	38 Å²	38	49 Å²	49	20%	0.203	24%	0.24	C	C	.	.	S	Bend	trans	-62.9	136.8	179.3	-72.9	-15.4	0	0	0	110.4	R103 R104 Y105 E109 V110 Q111	R103-D107 WeakPolarHBondContact CB-OD2 3.37Å; R104-D107 PolarHBondContact N-OD2 2.81Å; R104-D107 WeakPolarHBondContact O-CB 3.31Å; R104-D107 PolarHBondContact O-N 2.83Å; R104-D107 VanDerWaalsContact O-N 3.12Å; Y105-D107 VanDerWaalsContact C-N 3.28Å; Y105-D107 PolarHBondContact O-N 2.89Å; D107-E109 PolarHBondContact O-N 3.35Å; D107-E109 VanDerWaalsContact O-N 3.13Å; D107-V110 HydrophobicContact CB-CB 4.39Å; D107-V110 HydrophobicContact CB-CG2 4.12Å; D107-V110 PolarHBondContact O-N 2.87Å; D107-Q111 WeakPolarHBondContact O-CG 3.26Å; D107-Q111 PolarHBondContact O-N 2.9Å
108	P	93.2	Very high	92.4	Very high	87 Å²	87	50.6 Å²	50.6	57%	0.565	26%	0.255	S	S	*	.	H	α-helix	trans	-55.5	-34.2	-177.6	-27	34.9	0	0	0	114.2	K112	P108-K112 WeakPolarHBondContact O-CG 3.19Å; P108-K112 PolarHBondContact O-N 2.88Å
109	E	91.7	Very high	92.3	Very high	59 Å²	59	51 Å²	51	28%	0.276	26%	0.256	S	S	.	.	H	α-helix	trans	-63.6	-47.7	174.5	-68.3	76	-160.8	0	0	111.5	R103 D107 Q111 K112 D113 F249	R103-E109 IonicContact NH1-OE2 2.7Å; D107-E109 PolarHBondContact O-N 3.35Å; D107-E109 VanDerWaalsContact O-N 3.13Å; E109-Q111 VanDerWaalsContact C-N 3.31Å; E109-Q111 PolarHBondContact O-N 2.93Å; E109-K112 WeakPolarHBondContact O-CB 3.28Å; E109-K112 PolarHBondContact O-N 2.89Å; E109-K112 VanDerWaalsContact O-N 3.08Å; E109-D113 PolarHBondContact O-N 2.9Å; E109-D113 VanDerWaalsContact O-N 3.09Å; E109-F249 HydrophobicContact CB-CD1 4.04Å; E109-F249 HydrophobicContact CB-CD2 3.58Å; E109-F249 HydrophobicContact CB-CE1 4.09Å; E109-F249 HydrophobicContact CB-CE2 3.63Å; E109-F249 HydrophobicContact CB-CG 3.78Å; E109-F249 HydrophobicContact CB-CZ 3.88Å; E109-F249 HydrophobicContact CG-CB 3.79Å; E109-F249 HydrophobicContact CG-CD1 3.8Å; E109-F249 HydrophobicContact CG-CD2 3.82Å; E109-F249 HydrophobicContact CG-CE1 4.32Å; E109-F249 HydrophobicContact CG-CE2 4.32Å; E109-F249 HydrophobicContact CG-CG 3.51Å; E109-F249 WeakPolarHBondContact O-CZ 3.42Å
110	V	94.9	Very high	92.3	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-64.7	-38.9	178.5	176	0	0	0	0	110.7	L100 R103 R104 D107 K112 D113 I114 I121 A129	L100-V110 HydrophobicContact CD2-CG1 4.28Å; L100-V110 HydrophobicContact CD2-CG2 4.14Å; R103-V110 HydrophobicContact CB-CG2 3.7Å; R103-V110 HydrophobicContact CG-CG2 4.46Å; R104-V110 WeakPolarHBondContact O-CG2 3.05Å; D107-V110 HydrophobicContact CB-CB 4.39Å; D107-V110 HydrophobicContact CB-CG2 4.12Å; D107-V110 PolarHBondContact O-N 2.87Å; V110-K112 PolarHBondContact O-N 2.83Å; V110-D113 PolarHBondContact O-N 2.81Å; V110-D113 VanDerWaalsContact O-N 3.13Å; V110-I114 HydrophobicContact CG1-CD1 3.96Å; V110-I114 HydrophobicContact CG1-CG1 4.35Å; V110-I114 VanDerWaalsContact O-CG1 3.32Å; V110-I114 WeakPolarHBondContact O-CG1 3.5Å; V110-I114 PolarHBondContact O-N 3.4Å; V110-I121 HydrophobicContact CG1-CG2 4.08Å; V110-A129 HydrophobicContact CG1-CB 3.79Å; V110-A129 HydrophobicContact CG2-CB 4.11Å
111	Q	95.7	Very high	92.3	Very high	65 Å²	65	56.3 Å²	56.3	30%	0.304	28%	0.28	S	S	.	.	H	α-helix	trans	-62.9	-26.4	174.8	-66.3	-61.4	-50.5	0	0	113.4	Y105 D107 E109	Y105-Q111 PolarHBondContact O-NE2 2.77Å; D107-Q111 WeakPolarHBondContact O-CG 3.26Å; D107-Q111 PolarHBondContact O-N 2.9Å; E109-Q111 VanDerWaalsContact C-N 3.31Å; E109-Q111 PolarHBondContact O-N 2.93Å
112	K	92.7	Very high	92.5	Very high	116 Å²	116	57.5 Å²	57.5	50%	0.504	29%	0.286	S	S	.	.	H	α-helix	trans	-75.7	-44.9	171.1	-70.1	169.9	-176.7	172.8	0	111.1	P108 E109 V110 I114 K115 N116 F249	P108-K112 WeakPolarHBondContact O-CG 3.19Å; P108-K112 PolarHBondContact O-N 2.88Å; E109-K112 WeakPolarHBondContact O-CB 3.28Å; E109-K112 PolarHBondContact O-N 2.89Å; E109-K112 VanDerWaalsContact O-N 3.08Å; V110-K112 PolarHBondContact O-N 2.83Å; K112-I114 VanDerWaalsContact C-N 3.35Å; K112-I114 PolarHBondContact O-N 2.66Å; K112-K115 PolarHBondContact O-N 3.24Å; K112-K115 VanDerWaalsContact O-N 3.17Å; K112-N116 PolarHBondContact O-ND2 2.9Å; K112-N116 VanDerWaalsContact O-ND2 3.11Å; K112-F249 HydrophobicContact CB-CE1 4.28Å; K112-F249 HydrophobicContact CB-CZ 4.4Å; K112-F249 HydrophobicContact CD-CE1 4.11Å
113	D	91.9	Very high	92.8	Very high	18 Å²	18	61.8 Å²	61.8	10%	0.096	30%	0.3	C	S	.	.	H	α-helix	trans	-64	-38.3	179	-82	-10.8	0	0	0	112	R99 L100 E109 V110 K115 N116 S117 I121 F249	R99-D113 IonicContact CZ-OD1 3.44Å; R99-D113 IonicContact NE-OD2 2.88Å; R99-D113 IonicContact NH1-OD1 3.98Å; R99-D113 PolarHBondContact NH1-OD1 2.85Å; R99-D113 IonicContact NH1-OD2 2.97Å; L100-D113 HydrophobicContact CD2-CB 4.36Å; E109-D113 PolarHBondContact O-N 2.9Å; E109-D113 VanDerWaalsContact O-N 3.09Å; V110-D113 PolarHBondContact O-N 2.81Å; V110-D113 VanDerWaalsContact O-N 3.13Å; D113-K115 PolarHBondContact O-N 3.16Å; D113-K115 VanDerWaalsContact O-N 3.09Å; D113-N116 CarbonylContact O-C 3.58Å; D113-N116 PolarHBondContact O-N 2.8Å; D113-S117 WeakPolarHBondContact O-CB 3.29Å; D113-S117 PolarHBondContact O-N 2.73Å; D113-S117 PolarHBondContact O-OG 3.18Å; D113-I121 HydrophobicContact CB-CD1 4.22Å; D113-F249 VanDerWaalsContact OD1-CZ 3.28Å; D113-F249 WeakPolarHBondContact OD1-CZ 3.03Å; D113-F249 VanDerWaalsContact OD2-CE2 3.27Å; D113-F249 WeakPolarHBondContact OD2-CE2 3.37Å
114	I	92.9	Very high	92.9	Very high	48 Å²	48	61.4 Å²	61.4	25%	0.246	30%	0.301	C	S	.	.	H	α-helix	trans	-51.7	-34.7	173.4	-75.3	162.3	0	0	0	112.2	Y105 V110 K112 I121	Y105-I114 HydrophobicContact CD2-CD1 4.25Å; Y105-I114 HydrophobicContact CE1-CD1 4.44Å; Y105-I114 HydrophobicContact CE2-CD1 3.66Å; V110-I114 HydrophobicContact CG1-CD1 3.96Å; V110-I114 HydrophobicContact CG1-CG1 4.35Å; V110-I114 VanDerWaalsContact O-CG1 3.32Å; V110-I114 WeakPolarHBondContact O-CG1 3.5Å; V110-I114 PolarHBondContact O-N 3.4Å; K112-I114 VanDerWaalsContact C-N 3.35Å; K112-I114 PolarHBondContact O-N 2.66Å; I114-I121 HydrophobicContact CD1-CG2 4.27Å; I114-I121 HydrophobicContact CG1-CB 3.79Å; I114-I121 HydrophobicContact CG1-CD1 4.04Å; I114-I121 HydrophobicContact CG1-CG1 4.49Å; I114-I121 HydrophobicContact CG1-CG2 3.92Å
115	K	87.9	Confident	92.8	Very high	171 Å²	171	61.9 Å²	61.9	74%	0.743	32%	0.322	S	S	*	.	H	α-helix	trans	-80.9	-18.5	-179.1	-64.7	174.8	-175.7	178.2	0	113.3	K112 D113	K112-K115 PolarHBondContact O-N 3.24Å; K112-K115 VanDerWaalsContact O-N 3.17Å; D113-K115 PolarHBondContact O-N 3.16Å; D113-K115 VanDerWaalsContact O-N 3.09Å
116	N	84.6	Confident	92.4	Very high	62 Å²	62	62 Å²	62	33%	0.332	33%	0.326	S	S	.	.	H	α-helix	trans	-112.5	-11.4	-174.5	-60.1	-43.9	0	0	0	112.9	K112 D113	K112-N116 PolarHBondContact O-ND2 2.9Å; K112-N116 VanDerWaalsContact O-ND2 3.11Å; D113-N116 CarbonylContact O-C 3.58Å; D113-N116 PolarHBondContact O-N 2.8Å
117	S	87.6	Confident	92.3	Very high	30 Å²	30	58 Å²	58	21%	0.21	31%	0.306	C	S	.	.			trans	-84	137.2	-178.2	63.4	0	0	0	0	112.1	D113 F119	D113-S117 WeakPolarHBondContact O-CB 3.29Å; D113-S117 PolarHBondContact O-N 2.73Å; D113-S117 PolarHBondContact O-OG 3.18Å; S117-F119 PolarHBondContact OG-O 2.86Å
118	A	89.1	Confident	92.4	Very high	44 Å²	44	57.4 Å²	57.4	36%	0.364	30%	0.303	S	S	.	.	S	Bend	trans	-76.8	-25.5	171.8	0	0	0	0	0	112.7
119	F	93.9	Very high	92.5	Very high	21 Å²	21	53.3 Å²	53.3	9%	0.092	28%	0.277	C	S	.	.	S	Bend	trans	-90.7	160.6	174.6	55.1	-100	0	0	0	111.7	A91 T93 F94 S95 L100 S117 I121 L131	A91-F119 WeakPolarHBondContact O-CB 3.38Å; T93-F119 VanDerWaalsContact O-CD1 3.31Å; T93-F119 WeakPolarHBondContact O-CD1 3.42Å; F94-F119 HydrophobicContact CD1-CB 3.66Å; F94-F119 HydrophobicContact CD1-CD1 4.08Å; F94-F119 AromaticContact CD1-CD2 3.99Å; F94-F119 HydrophobicContact CD1-CD2 3.99Å; F94-F119 AromaticContact CD1-CG 3.64Å; F94-F119 HydrophobicContact CD1-CG 3.64Å; F94-F119 HydrophobicContact CE1-CB 3.75Å; F94-F119 HydrophobicContact CE1-CD2 4.38Å; F94-F119 HydrophobicContact CE1-CG 4.14Å; S95-F119 WeakPolarHBondContact O-CZ 3.4Å; L100-F119 HydrophobicContact CD1-CE2 4.44Å; S117-F119 PolarHBondContact OG-O 2.86Å; F119-I121 HydrophobicContact CD2-CG1 4.03Å; F119-I121 HydrophobicContact CE2-CD1 4.02Å; F119-I121 HydrophobicContact CE2-CG1 3.72Å; F119-L131 HydrophobicContact CD2-CD2 3.37Å; F119-L131 HydrophobicContact CE2-CD2 3.21Å; F119-L131 HydrophobicContact CG-CD2 4.45Å; F119-L131 HydrophobicContact CZ-CD2 4.19Å
120	K	95.2	Very high	92.8	Very high	109 Å²	109	52.1 Å²	52.1	47%	0.474	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	121.2	-178.3	-166.4	-172.2	-178.8	-164.6	0	110.9	I122 L131 E132	K120-I122 HydrophobicContact CD-CG2 3.78Å; K120-I122 HydrophobicContact CG-CG2 3.77Å; K120-L131 WeakPolarHBondContact O-CA 3.23Å; K120-E132 HydrophobicContact CB-CB 4.33Å; K120-E132 HydrophobicContact CD-CB 4.09Å; K120-E132 HydrophobicContact CD-CG 4.46Å; K120-E132 WeakPolarHBondContact CD-OE1 3.26Å; K120-E132 IonicContact NZ-OE1 2.69Å; K120-E132 PolarHBondContact NZ-OE1 2.66Å; K120-E132 IonicContact NZ-OE2 3.99Å; K120-E132 PolarHBondContact NZ-OE2 3.3Å; K120-E132 PolarHBondContact O-N 3.02Å
121	I	97.2	Very high	92.9	Very high	11 Å²	11	52.1 Å²	52.1	6%	0.056	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	129	167.1	-60.6	167.9	0	0	0	107.6	L100 Y105 V110 D113 I114 F119 A129 W130 L131	L100-I121 HydrophobicContact CD1-CD1 3.86Å; L100-I121 HydrophobicContact CD1-CG1 4Å; L100-I121 HydrophobicContact CD2-CD1 3.98Å; Y105-I121 HydrophobicContact CD2-CG2 4.27Å; Y105-I121 HydrophobicContact CE2-CG2 4.27Å; V110-I121 HydrophobicContact CG1-CG2 4.08Å; D113-I121 HydrophobicContact CB-CD1 4.22Å; I114-I121 HydrophobicContact CD1-CG2 4.27Å; I114-I121 HydrophobicContact CG1-CB 3.79Å; I114-I121 HydrophobicContact CG1-CD1 4.04Å; I114-I121 HydrophobicContact CG1-CG1 4.49Å; I114-I121 HydrophobicContact CG1-CG2 3.92Å; F119-I121 HydrophobicContact CD2-CG1 4.03Å; F119-I121 HydrophobicContact CE2-CD1 4.02Å; F119-I121 HydrophobicContact CE2-CG1 3.72Å; I121-A129 HydrophobicContact CG2-CB 4.38Å; I121-W130 CarbonylContact C-O 3.57Å; I121-W130 VanDerWaalsContact CA-O 3.31Å; I121-W130 WeakPolarHBondContact CA-O 3.39Å; I121-L131 HydrophobicContact CG1-CD2 4.14Å
122	I	97.2	Very high	92.9	Very high	30 Å²	30	51.5 Å²	51.5	15%	0.154	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	158.1	-173.9	60.4	165.7	0	0	0	111.5	Y105 K120 W130 E132 A137	Y105-I122 WeakPolarHBondContact CD2-O 3.4Å; Y105-I122 VanDerWaalsContact CE2-C 3.47Å; K120-I122 HydrophobicContact CD-CG2 3.78Å; K120-I122 HydrophobicContact CG-CG2 3.77Å; I122-W130 HydrophobicContact CD1-CB 4.44Å; I122-W130 HydrophobicContact CG1-CB 3.94Å; I122-W130 PolarHBondContact N-O 3.18Å; I122-W130 PolarHBondContact O-N 3Å; I122-E132 HydrophobicContact CD1-CB 4.13Å; I122-E132 HydrophobicContact CG1-CB 4.49Å; I122-E132 HydrophobicContact CG2-CB 4.07Å; I122-A137 HydrophobicContact CD1-CB 3.78Å
123	K	97.1	Very high	93	Very high	106 Å²	106	46.1 Å²	46.1	46%	0.461	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	117.3	174.2	-170.6	167.5	-170.9	157.3	0	109.5	Y105 D106	Y105-K123 HydrophobicContact CD1-CB 3.8Å; Y105-K123 HydrophobicContact CD1-CD 3.88Å; Y105-K123 HydrophobicContact CD1-CG 4.08Å; Y105-K123 HydrophobicContact CD2-CB 3.82Å; Y105-K123 VanDerWaalsContact CD2-N 3.35Å; Y105-K123 HydrophobicContact CE1-CB 4.25Å; Y105-K123 HydrophobicContact CE2-CB 4.27Å; Y105-K123 HydrophobicContact CG-CB 3.55Å; Y105-K123 HydrophobicContact CG-CD 4.22Å; Y105-K123 HydrophobicContact CG-CG 3.9Å; D106-K123 IonicContact OD1-NZ 3.27Å; D106-K123 PolarHBondContact OD1-NZ 2.92Å; D106-K123 IonicContact OD2-NZ 2.95Å; D106-K123 PolarHBondContact OD2-NZ 3.21Å
124	A	94.4	Very high	93.1	Very high	13 Å²	13	50.2 Å²	50.2	11%	0.107	26%	0.262	C	S	.	.			trans	-68.8	166.2	171.1	0	0	0	0	0	111.5	N126 G127 D128 W130	A124-N126 VanDerWaalsContact CB-OD1 3.31Å; A124-N126 WeakPolarHBondContact CB-OD1 3.4Å; A124-N126 PolarHBondContact O-N 3.07Å; A124-G127 WeakPolarHBondContact O-CA 3.41Å; A124-G127 PolarHBondContact O-N 3.25Å; A124-D128 HydrophobicContact CB-CB 4.42Å; A124-D128 PolarHBondContact N-O 2.92Å; A124-W130 HydrophobicContact CB-CB 4.32Å; A124-W130 HydrophobicContact CB-CD2 3.78Å; A124-W130 HydrophobicContact CB-CG 3.66Å; A124-W130 HydrophobicContact CB-CZ2 4.37Å
125	S	90.5	Very high	93.1	Very high	126 Å²	126	51 Å²	51	88%	0.881	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-31.1	180	53	0	0	0	0	113.3	G127	S125-G127 VanDerWaalsContact C-N 3.32Å
126	N	87.2	Confident	93.3	Very high	59 Å²	59	46.7 Å²	46.7	32%	0.316	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-4.5	175	69.7	-5.8	0	0	0	113.6	R104 A124 D128 G529	R104-N126 PolarHBondContact NH2-O 2.88Å; A124-N126 VanDerWaalsContact CB-OD1 3.31Å; A124-N126 WeakPolarHBondContact CB-OD1 3.4Å; A124-N126 PolarHBondContact O-N 3.07Å; N126-D128 PolarHBondContact ND2-OD2 2.96Å; N126-D128 VanDerWaalsContact OD1-CB 3.29Å; N126-D128 WeakPolarHBondContact OD1-CB 3.43Å; N126-D128 PolarHBondContact OD1-N 2.83Å; N126-G529 PolarHBondContact ND2-O 3.31Å
127	G	92.1	Very high	93.9	Very high	5 Å²	5	45.7 Å²	45.7	5%	0.052	26%	0.264	C	S	.	.	S	Bend	trans	89.2	6.1	-177.9	0	0	0	0	0	115.6	Y105 A124 S125	Y105-G127 PolarHBondContact N-O 3.01Å; A124-G127 WeakPolarHBondContact O-CA 3.41Å; A124-G127 PolarHBondContact O-N 3.25Å; S125-G127 VanDerWaalsContact C-N 3.32Å
128	D	92.6	Very high	94.3	Very high	26 Å²	26	44.9 Å²	44.9	14%	0.139	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-75	157.3	176.5	-68.6	-17.2	0	0	0	112.8	A124 N126 W130 G529	A124-D128 HydrophobicContact CB-CB 4.42Å; A124-D128 PolarHBondContact N-O 2.92Å; N126-D128 PolarHBondContact ND2-OD2 2.96Å; N126-D128 VanDerWaalsContact OD1-CB 3.29Å; N126-D128 WeakPolarHBondContact OD1-CB 3.43Å; N126-D128 PolarHBondContact OD1-N 2.83Å; D128-W130 PolarHBondContact O-N 3.13Å; D128-G529 WeakPolarHBondContact OD2-CA 3.19Å
129	A	96.1	Very high	94.6	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.008	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	109.1	174.9	0	0	0	0	0	110.1	R103 V110 I121 P140	R103-A129 PolarHBondContact O-N 3.1Å; R103-A129 VanDerWaalsContact O-N 3.08Å; V110-A129 HydrophobicContact CG1-CB 3.79Å; V110-A129 HydrophobicContact CG2-CB 4.11Å; I121-A129 HydrophobicContact CG2-CB 4.38Å; A129-P140 WeakPolarHBondContact O-CD 3.32Å; A129-P140 WeakPolarHBondContact O-CG 3.44Å
130	W	97.5	Very high	94.7	Very high	34 Å²	34	42.3 Å²	42.3	13%	0.129	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	173.3	175.8	-78.9	36.5	0	0	0	110.8	I121 I122 A124 D128 A137 L530 M538	I121-W130 CarbonylContact C-O 3.57Å; I121-W130 VanDerWaalsContact CA-O 3.31Å; I121-W130 WeakPolarHBondContact CA-O 3.39Å; I122-W130 HydrophobicContact CD1-CB 4.44Å; I122-W130 HydrophobicContact CG1-CB 3.94Å; I122-W130 PolarHBondContact N-O 3.18Å; I122-W130 PolarHBondContact O-N 3Å; A124-W130 HydrophobicContact CB-CB 4.32Å; A124-W130 HydrophobicContact CB-CD2 3.78Å; A124-W130 HydrophobicContact CB-CG 3.66Å; A124-W130 HydrophobicContact CB-CZ2 4.37Å; D128-W130 PolarHBondContact O-N 3.13Å; W130-A137 HydrophobicContact CE3-CB 3.9Å; W130-A137 HydrophobicContact CZ3-CB 4.28Å; W130-L530 HydrophobicContact CH2-CD2 4.42Å; W130-L530 HydrophobicContact CZ2-CD2 3.71Å; W130-M538 HydrophobicContact CH2-CE 3.84Å; W130-M538 HydrophobicContact CZ2-CE 4.29Å; W130-M538 HydrophobicContact CZ3-CE 4.5Å
131	L	97.3	Very high	94.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	154.1	-177.7	-62.2	150.2	0	0	0	109.3	F94 T97 L100 F119 K120 I121 A137 Y138 I143	F94-L131 HydrophobicContact CD1-CB 4.45Å; F94-L131 HydrophobicContact CD1-CD2 4.14Å; F94-L131 HydrophobicContact CD2-CB 4.5Å; F94-L131 HydrophobicContact CD2-CD1 4.41Å; F94-L131 HydrophobicContact CE1-CB 4.06Å; F94-L131 HydrophobicContact CE1-CD2 4.37Å; F94-L131 HydrophobicContact CE2-CB 4.07Å; F94-L131 HydrophobicContact CG-CD1 4.41Å; F94-L131 HydrophobicContact CG-CD2 4.5Å; F94-L131 HydrophobicContact CZ-CB 3.82Å; T97-L131 HydrophobicContact CG2-CD1 3.64Å; T97-L131 HydrophobicContact CG2-CD2 4.46Å; L100-L131 HydrophobicContact CD1-CD2 3.78Å; L100-L131 HydrophobicContact CD1-CG 4.28Å; F119-L131 HydrophobicContact CD2-CD2 3.37Å; F119-L131 HydrophobicContact CE2-CD2 3.21Å; F119-L131 HydrophobicContact CG-CD2 4.45Å; F119-L131 HydrophobicContact CZ-CD2 4.19Å; K120-L131 WeakPolarHBondContact O-CA 3.23Å; I121-L131 HydrophobicContact CG1-CD2 4.14Å; L131-A137 CarbonylContact O-C 3.44Å; L131-A137 VanDerWaalsContact O-CA 3.31Å; L131-A137 WeakPolarHBondContact O-CA 3.13Å; L131-Y138 PolarHBondContact N-O 2.87Å; L131-Y138 PolarHBondContact O-N 3.13Å; L131-I143 HydrophobicContact CD1-CB 4.46Å; L131-I143 HydrophobicContact CD1-CG1 3.59Å
132	E	96.3	Very high	94.7	Very high	52 Å²	52	37.4 Å²	37.4	24%	0.243	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	129.6	175.3	-170.1	-174.4	101.9	0	0	110.8	K120 I122 K136	K120-E132 HydrophobicContact CB-CB 4.33Å; K120-E132 HydrophobicContact CD-CB 4.09Å; K120-E132 HydrophobicContact CD-CG 4.46Å; K120-E132 WeakPolarHBondContact CD-OE1 3.26Å; K120-E132 IonicContact NZ-OE1 2.69Å; K120-E132 PolarHBondContact NZ-OE1 2.66Å; K120-E132 IonicContact NZ-OE2 3.99Å; K120-E132 PolarHBondContact NZ-OE2 3.3Å; K120-E132 PolarHBondContact O-N 3.02Å; I122-E132 HydrophobicContact CD1-CB 4.13Å; I122-E132 HydrophobicContact CG1-CB 4.49Å; I122-E132 HydrophobicContact CG2-CB 4.07Å; E132-K136 WeakPolarHBondContact CA-O 3.41Å
133	A	95.2	Very high	94.7	Very high	2 Å²	2	36 Å²	36	2%	0.017	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	132.5	169.7	0	0	0	0	0	108.9	F70 N92 F94 G135 K136 Y138	F70-A133 HydrophobicContact CB-CB 4.32Å; F70-A133 HydrophobicContact CD2-CB 3.73Å; F70-A133 HydrophobicContact CG-CB 4.32Å; N92-A133 HydrophobicContact CB-CB 4.06Å; N92-A133 WeakPolarHBondContact OD1-CA 3.38Å; F94-A133 HydrophobicContact CE1-CB 4.29Å; F94-A133 HydrophobicContact CE2-CB 4Å; F94-A133 HydrophobicContact CZ-CB 3.46Å; F94-A133 VanDerWaalsContact CZ-CB 3.46Å; A133-G135 PolarHBondContact O-N 3.12Å; A133-G135 VanDerWaalsContact O-N 3.13Å; A133-K136 PolarHBondContact N-O 2.93Å; A133-K136 WeakPolarHBondContact O-CB 3.36Å; A133-K136 PolarHBondContact O-N 2.84Å; A133-Y138 HydrophobicContact CB-CE2 4.25Å
134	H	93.7	Very high	94.7	Very high	104 Å²	104	31.2 Å²	31.2	48%	0.481	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.4	40.2	-178	-57	-65.3	0	0	0	114	F70 T71 N92 K136	F70-H134 PolarHBondContact O-NE2 2.87Å; T71-H134 PolarHBondContact O-NE2 2.87Å; N92-H134 PolarHBondContact ND2-CE1 3.43Å; N92-H134 PolarHBondContact ND2-NE2 2.89Å; N92-H134 PolarHBondContact OD1-N 2.75Å; N92-H134 VanDerWaalsContact OD1-N 3.1Å; H134-K136 PolarHBondContact O-N 2.66Å
135	G	92.1	Very high	94.8	Very high	66 Å²	66	30.6 Å²	30.6	68%	0.68	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.7	2.6	-179.4	0	0	0	0	0	115.3	A133	A133-G135 PolarHBondContact O-N 3.12Å; A133-G135 VanDerWaalsContact O-N 3.13Å
136	K	93.4	Very high	95.1	Very high	79 Å²	79	24.8 Å²	24.8	34%	0.343	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	133.1	177.9	-177.8	170.8	168.2	-168.7	0	111.5	E132 A133 H134 Y138 Y545	E132-K136 WeakPolarHBondContact CA-O 3.41Å; A133-K136 PolarHBondContact N-O 2.93Å; A133-K136 WeakPolarHBondContact O-CB 3.36Å; A133-K136 PolarHBondContact O-N 2.84Å; H134-K136 PolarHBondContact O-N 2.66Å; K136-Y138 HydrophobicContact CB-CE2 3.91Å; K136-Y138 HydrophobicContact CD-CE1 4.5Å; K136-Y138 HydrophobicContact CD-CE2 4.08Å; K136-Y138 WeakPolarHBondContact CD-OH 3.45Å; K136-Y138 HydrophobicContact CG-CD2 4.44Å; K136-Y138 HydrophobicContact CG-CE2 3.77Å; K136-Y138 PolarHBondContact NZ-OH 3.42Å; K136-Y138 VanDerWaalsContact O-CD2 3.29Å; K136-Y138 WeakPolarHBondContact O-CD2 3.29Å; K136-Y138 WeakPolarHBondContact O-CE2 3.49Å; K136-Y545 PolarHBondContact NZ-OH 3.36Å
137	A	95.4	Very high	95.7	Very high	41 Å²	41	22.1 Å²	22.1	34%	0.339	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	139.2	179.1	0	0	0	0	0	111.8	I122 W130 L131	I122-A137 HydrophobicContact CD1-CB 3.78Å; W130-A137 HydrophobicContact CE3-CB 3.9Å; W130-A137 HydrophobicContact CZ3-CB 4.28Å; L131-A137 CarbonylContact O-C 3.44Å; L131-A137 VanDerWaalsContact O-CA 3.31Å; L131-A137 WeakPolarHBondContact O-CA 3.13Å
138	Y	96.3	Very high	96	Very high	14 Å²	14	21.9 Å²	21.9	6%	0.055	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	132	176.8	-65.4	-91.3	0	0	0	110.1	F70 F94 L131 A133 K136 I143 F146	F70-Y138 HydrophobicContact CD2-CE2 4.37Å; F70-Y138 AromaticContact CE1-CE1 3.96Å; F70-Y138 HydrophobicContact CE1-CE1 3.96Å; F70-Y138 AromaticContact CE1-CZ 3.79Å; F70-Y138 WeakPolarHBondContact CE1-OH 3.49Å; F70-Y138 HydrophobicContact CE2-CD1 4.46Å; F70-Y138 HydrophobicContact CE2-CD2 4.29Å; F70-Y138 HydrophobicContact CE2-CE1 4.15Å; F70-Y138 AromaticContact CE2-CE2 4Å; F70-Y138 HydrophobicContact CE2-CE2 4Å; F70-Y138 AromaticContact CE2-CZ 3.91Å; F70-Y138 HydrophobicContact CZ-CD1 4.06Å; F70-Y138 AromaticContact CZ-CE1 3.5Å; F70-Y138 HydrophobicContact CZ-CE1 3.5Å; F70-Y138 HydrophobicContact CZ-CE2 4.12Å; F70-Y138 AromaticContact CZ-CZ 3.54Å; F94-Y138 HydrophobicContact CE2-CD2 4.2Å; L131-Y138 PolarHBondContact N-O 2.87Å; L131-Y138 PolarHBondContact O-N 3.13Å; A133-Y138 HydrophobicContact CB-CE2 4.25Å; K136-Y138 HydrophobicContact CB-CE2 3.91Å; K136-Y138 HydrophobicContact CD-CE1 4.5Å; K136-Y138 HydrophobicContact CD-CE2 4.08Å; K136-Y138 WeakPolarHBondContact CD-OH 3.45Å; K136-Y138 HydrophobicContact CG-CD2 4.44Å; K136-Y138 HydrophobicContact CG-CE2 3.77Å; K136-Y138 PolarHBondContact NZ-OH 3.42Å; K136-Y138 VanDerWaalsContact O-CD2 3.29Å; K136-Y138 WeakPolarHBondContact O-CD2 3.29Å; K136-Y138 WeakPolarHBondContact O-CE2 3.49Å; Y138-I143 HydrophobicContact CD1-CD1 4.26Å; Y138-I143 HydrophobicContact CG-CD1 4.14Å; Y138-F146 HydrophobicContact CD1-CE2 4.07Å; Y138-F146 HydrophobicContact CD1-CZ 4.44Å; Y138-F146 HydrophobicContact CE1-CE2 4.17Å; Y138-F146 HydrophobicContact CE1-CZ 4.38Å
139	S	96	Very high	96.1	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.014	13%	0.127	C	C	.	.			trans	-74.9	152	171.5	75.1	0	0	0	0	110.8	S141 Q142 I143	S139-S141 PolarHBondContact O-N 3.25Å; S139-Q142 WeakPolarHBondContact O-CB 3.45Å; S139-Q142 PolarHBondContact O-N 3.23Å; S139-Q142 WeakPolarHBondContact OG-CG 3.05Å; S139-Q142 PolarHBondContact OG-N 3.29Å; S139-Q142 VanDerWaalsContact OG-N 3.12Å; S139-I143 PolarHBondContact O-N 3.28Å; S139-I143 VanDerWaalsContact O-N 3.15Å
140	P	96.6	Very high	96.2	Very high	8 Å²	8	23 Å²	23	5%	0.052	13%	0.132	C	C	.	.	H	α-helix	trans	-57.2	-32.8	173.2	-26.9	36.1	0	0	0	112.8	L100 I101 A129 I143 G144	L100-P140 HydrophobicContact CB-CB 4.3Å; L100-P140 HydrophobicContact CB-CG 3.84Å; I101-P140 HydrophobicContact CB-CB 4.07Å; I101-P140 HydrophobicContact CG1-CB 4.2Å; A129-P140 WeakPolarHBondContact O-CD 3.32Å; A129-P140 WeakPolarHBondContact O-CG 3.44Å; P140-I143 PolarHBondContact O-N 3.25Å; P140-G144 PolarHBondContact O-N 3.06Å
141	S	96.1	Very high	96.2	Very high	4 Å²	4	21.4 Å²	21.4	3%	0.028	13%	0.126	C	C	.	.	H	α-helix	trans	-64.8	-36.2	173.7	-64	0	0	0	0	112.8	S139 G144 A145 A181 A185	S139-S141 PolarHBondContact O-N 3.25Å; S141-G144 PolarHBondContact O-N 2.87Å; S141-A145 WeakPolarHBondContact O-CB 3.26Å; S141-A145 PolarHBondContact O-N 2.75Å; S141-A181 PolarHBondContact OG-O 3.09Å; S141-A185 VanDerWaalsContact O-CB 3.23Å; S141-A185 WeakPolarHBondContact O-CB 3.14Å
142	Q	95.2	Very high	96.2	Very high	14 Å²	14	23.2 Å²	23.2	7%	0.065	13%	0.134	C	C	.	.	H	α-helix	trans	-65.7	-42.2	172.2	-74.5	175.2	-57.8	0	0	111.9	S139 G144 A145 F146 I188 M538	S139-Q142 WeakPolarHBondContact O-CB 3.45Å; S139-Q142 PolarHBondContact O-N 3.23Å; S139-Q142 WeakPolarHBondContact OG-CG 3.05Å; S139-Q142 PolarHBondContact OG-N 3.29Å; S139-Q142 VanDerWaalsContact OG-N 3.12Å; Q142-G144 VanDerWaalsContact C-N 3.34Å; Q142-A145 WeakPolarHBondContact O-CB 3.42Å; Q142-A145 PolarHBondContact O-N 2.85Å; Q142-F146 HydrophobicContact CB-CE2 4.43Å; Q142-F146 HydrophobicContact CB-CZ 4.4Å; Q142-F146 VanDerWaalsContact O-CD2 3.29Å; Q142-F146 WeakPolarHBondContact O-CD2 3.48Å; Q142-F146 VanDerWaalsContact O-CG 3.31Å; Q142-F146 WeakPolarHBondContact O-CG 3.43Å; Q142-F146 PolarHBondContact O-N 2.85Å; Q142-I188 HydrophobicContact CG-CD1 4.31Å; Q142-M538 HydrophobicContact CG-CB 4.27Å; Q142-M538 HydrophobicContact CG-CE 4.01Å; Q142-M538 HydrophobicContact CG-CG 3.88Å; Q142-M538 HydrophobicContact CG-SD 3.31Å; Q142-M538 WeakPolarHBondContact CG-SD 3.43Å; Q142-M538 VanDerWaalsContact NE2-CG 3.29Å
143	I	97.4	Very high	96.2	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-64.2	-43.6	177.1	-57.6	-47.3	0	0	0	110.7	V68 F70 F94 T97 L131 Y138 S139 P140 A145 F146 V147	V68-I143 HydrophobicContact CB-CG2 4.05Å; V68-I143 HydrophobicContact CG2-CG2 3.76Å; F70-I143 HydrophobicContact CE2-CD1 4.25Å; F70-I143 HydrophobicContact CZ-CD1 4.48Å; F94-I143 HydrophobicContact CB-CG2 4.34Å; F94-I143 HydrophobicContact CD2-CD1 3.55Å; F94-I143 HydrophobicContact CD2-CG1 3.94Å; F94-I143 HydrophobicContact CE2-CD1 3.9Å; F94-I143 HydrophobicContact CE2-CG1 4.5Å; T97-I143 HydrophobicContact CG2-CB 4.42Å; T97-I143 HydrophobicContact CG2-CG2 3.88Å; L131-I143 HydrophobicContact CD1-CB 4.46Å; L131-I143 HydrophobicContact CD1-CG1 3.59Å; Y138-I143 HydrophobicContact CD1-CD1 4.26Å; Y138-I143 HydrophobicContact CG-CD1 4.14Å; S139-I143 PolarHBondContact O-N 3.28Å; S139-I143 VanDerWaalsContact O-N 3.15Å; P140-I143 PolarHBondContact O-N 3.25Å; I143-A145 VanDerWaalsContact C-N 3.28Å; I143-A145 PolarHBondContact O-N 2.77Å; I143-F146 HydrophobicContact CD1-CD2 3.98Å; I143-F146 HydrophobicContact CD1-CE2 3.97Å; I143-F146 PolarHBondContact O-N 2.9Å; I143-V147 PolarHBondContact O-N 3.34Å
144	G	97.4	Very high	96.3	Very high	5 Å²	5	24.6 Å²	24.6	5%	0.052	14%	0.141	C	C	.	.	H	α-helix	trans	-57.8	-40.8	171.7	0	0	0	0	0	112.2	P140 S141 Q142 F146 V147 L148	P140-G144 PolarHBondContact O-N 3.06Å; S141-G144 PolarHBondContact O-N 2.87Å; Q142-G144 VanDerWaalsContact C-N 3.34Å; G144-F146 VanDerWaalsContact C-N 3.34Å; G144-F146 PolarHBondContact O-N 2.86Å; G144-V147 PolarHBondContact O-N 2.79Å; G144-L148 VanDerWaalsContact O-CG 3.29Å; G144-L148 WeakPolarHBondContact O-CG 3.48Å; G144-L148 PolarHBondContact O-N 3.04Å
145	A	97.3	Very high	96.5	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62.2	-38.2	176.9	0	0	0	0	0	112.7	S141 Q142 I143 V147 L148 I149 A185 I188 A189	S141-A145 WeakPolarHBondContact O-CB 3.26Å; S141-A145 PolarHBondContact O-N 2.75Å; Q142-A145 WeakPolarHBondContact O-CB 3.42Å; Q142-A145 PolarHBondContact O-N 2.85Å; I143-A145 VanDerWaalsContact C-N 3.28Å; I143-A145 PolarHBondContact O-N 2.77Å; A145-V147 VanDerWaalsContact C-N 3.34Å; A145-V147 PolarHBondContact O-N 3.02Å; A145-L148 CarbonylContact O-C 3.59Å; A145-L148 PolarHBondContact O-N 3.34Å; A145-I149 VanDerWaalsContact O-CG1 3.26Å; A145-I149 WeakPolarHBondContact O-CG1 3.25Å; A145-I149 PolarHBondContact O-N 3.47Å; A145-A185 VanDerWaalsContact CB-O 3.26Å; A145-A185 WeakPolarHBondContact CB-O 3.37Å; A145-I188 HydrophobicContact CB-CB 3.63Å; A145-I188 HydrophobicContact CB-CG2 3.42Å; A145-I188 VanDerWaalsContact CB-CG2 3.42Å; A145-A189 HydrophobicContact CB-CB 4.27Å
146	F	97.2	Very high	96.7	Very high	4 Å²	4	18.9 Å²	18.9	2%	0.018	10%	0.096	C	C	.	.	H	α-helix	trans	-65.4	-37.7	176.5	-56.9	-33.3	0	0	0	112.4	V68 F70 V78 Y138 Q142 I143 G144 I149 K150	V68-F146 HydrophobicContact CG1-CB 4.41Å; V68-F146 HydrophobicContact CG1-CD2 4.01Å; V68-F146 HydrophobicContact CG2-CB 4.03Å; F70-F146 HydrophobicContact CZ-CD2 4.27Å; F70-F146 AromaticContact CZ-CE2 3.81Å; F70-F146 HydrophobicContact CZ-CE2 3.81Å; V78-F146 HydrophobicContact CG2-CB 4.21Å; Y138-F146 HydrophobicContact CD1-CE2 4.07Å; Y138-F146 HydrophobicContact CD1-CZ 4.44Å; Y138-F146 HydrophobicContact CE1-CE2 4.17Å; Y138-F146 HydrophobicContact CE1-CZ 4.38Å; Q142-F146 HydrophobicContact CB-CE2 4.43Å; Q142-F146 HydrophobicContact CB-CZ 4.4Å; Q142-F146 VanDerWaalsContact O-CD2 3.29Å; Q142-F146 WeakPolarHBondContact O-CD2 3.48Å; Q142-F146 VanDerWaalsContact O-CG 3.31Å; Q142-F146 WeakPolarHBondContact O-CG 3.43Å; Q142-F146 PolarHBondContact O-N 2.85Å; I143-F146 HydrophobicContact CD1-CD2 3.98Å; I143-F146 HydrophobicContact CD1-CE2 3.97Å; I143-F146 PolarHBondContact O-N 2.9Å; G144-F146 VanDerWaalsContact C-N 3.34Å; G144-F146 PolarHBondContact O-N 2.86Å; F146-I149 HydrophobicContact CD1-CD1 4.31Å; F146-I149 PolarHBondContact O-N 2.91Å; F146-K150 PolarHBondContact O-N 2.96Å
147	V	98.1	Very high	96.8	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.012	12%	0.115	C	C	.	.	H	α-helix	trans	-65.5	-43.9	171.7	-179.9	0	0	0	0	110.7	L37 S42 V68 V78 I143 G144 A145 I149 K150 M151	L37-V147 HydrophobicContact CD1-CB 4.14Å; L37-V147 HydrophobicContact CD1-CG1 3.88Å; S42-V147 VanDerWaalsContact OG-CG1 3.31Å; S42-V147 WeakPolarHBondContact OG-CG1 3.36Å; V68-V147 HydrophobicContact CG2-CG2 3.88Å; V78-V147 HydrophobicContact CG1-CG2 4.38Å; I143-V147 PolarHBondContact O-N 3.34Å; G144-V147 PolarHBondContact O-N 2.79Å; A145-V147 VanDerWaalsContact C-N 3.34Å; A145-V147 PolarHBondContact O-N 3.02Å; V147-I149 VanDerWaalsContact C-N 3.34Å; V147-I149 PolarHBondContact O-N 3.26Å; V147-K150 WeakPolarHBondContact O-CB 3.38Å; V147-K150 PolarHBondContact O-N 2.77Å; V147-M151 WeakPolarHBondContact O-CG 3.34Å; V147-M151 PolarHBondContact O-N 3.12Å; V147-M151 VanDerWaalsContact O-N 3.11Å
148	L	98.2	Very high	96.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.3	-36.4	177.5	-71.8	174.4	0	0	0	112.9	I35 L37 G144 A145 K150 M151 K152 I168 A185 A189 M191	I35-L148 HydrophobicContact CB-CD2 4.43Å; I35-L148 HydrophobicContact CD1-CD2 4.14Å; I35-L148 HydrophobicContact CG2-CD2 3.72Å; L37-L148 HydrophobicContact CB-CD2 4.33Å; L37-L148 HydrophobicContact CD1-CD2 4.22Å; L37-L148 HydrophobicContact CD1-CG 4.29Å; L37-L148 HydrophobicContact CD2-CD1 4.27Å; L37-L148 HydrophobicContact CD2-CD2 4.27Å; L37-L148 HydrophobicContact CD2-CG 4.25Å; G144-L148 VanDerWaalsContact O-CG 3.29Å; G144-L148 WeakPolarHBondContact O-CG 3.48Å; G144-L148 PolarHBondContact O-N 3.04Å; A145-L148 CarbonylContact O-C 3.59Å; A145-L148 PolarHBondContact O-N 3.34Å; L148-K150 VanDerWaalsContact C-N 3.35Å; L148-M151 PolarHBondContact O-N 3.16Å; L148-K152 WeakPolarHBondContact O-CB 3.21Å; L148-K152 PolarHBondContact O-N 2.81Å; L148-I168 HydrophobicContact CD1-CD1 3.85Å; L148-I168 HydrophobicContact CD2-CD1 4.05Å; L148-I168 HydrophobicContact CD2-CG1 4.47Å; L148-A185 HydrophobicContact CD1-CB 3.91Å; L148-A189 HydrophobicContact CB-CB 3.83Å; L148-M191 HydrophobicContact CB-CE 3.75Å; L148-M191 HydrophobicContact CD1-CE 4.4Å; L148-M191 HydrophobicContact CD2-CE 4.34Å; L148-M191 HydrophobicContact CG-CE 4.39Å
149	I	96.5	Very high	96.7	Very high	24 Å²	24	24.1 Å²	24.1	12%	0.123	13%	0.125	C	C	.	.	H	α-helix	trans	-60.2	-45.5	173.3	-72.1	164.6	0	0	0	110.1	A145 F146 V147 M151 K152 E153 A189 A542	A145-I149 VanDerWaalsContact O-CG1 3.26Å; A145-I149 WeakPolarHBondContact O-CG1 3.25Å; A145-I149 PolarHBondContact O-N 3.47Å; F146-I149 HydrophobicContact CD1-CD1 4.31Å; F146-I149 PolarHBondContact O-N 2.91Å; V147-I149 VanDerWaalsContact C-N 3.34Å; V147-I149 PolarHBondContact O-N 3.26Å; I149-M151 VanDerWaalsContact C-N 3.26Å; I149-M151 PolarHBondContact O-N 2.88Å; I149-K152 WeakPolarHBondContact O-CB 3.35Å; I149-K152 PolarHBondContact O-N 2.77Å; I149-E153 HydrophobicContact CG2-CG 4.36Å; I149-E153 WeakPolarHBondContact O-CG 3.25Å; I149-E153 PolarHBondContact O-N 3.21Å; I149-A189 HydrophobicContact CG1-CB 3.78Å; I149-A542 HydrophobicContact CD1-CB 4.35Å
150	K	96.9	Very high	96.6	Very high	26 Å²	26	27.5 Å²	27.5	11%	0.113	16%	0.16	C	C	.	.	H	α-helix	trans	-61.5	-34.9	176	-178.1	64.2	173.5	-174.6	0	112.3	S58 E59 T64 V78 F146 V147 L148 T154	S58-K150 PolarHBondContact OG-NZ 2.86Å; E59-K150 IonicContact OE1-NZ 3.89Å; E59-K150 PolarHBondContact OE1-NZ 3.06Å; E59-K150 IonicContact OE2-NZ 2.63Å; T64-K150 HydrophobicContact CG2-CG 4.16Å; V78-K150 HydrophobicContact CB-CB 4.4Å; V78-K150 HydrophobicContact CG1-CB 3.82Å; V78-K150 HydrophobicContact CG1-CG 4.22Å; F146-K150 PolarHBondContact O-N 2.96Å; V147-K150 WeakPolarHBondContact O-CB 3.38Å; V147-K150 PolarHBondContact O-N 2.77Å; L148-K150 VanDerWaalsContact C-N 3.35Å; K150-T154 WeakPolarHBondContact O-CB 3.49Å; K150-T154 PolarHBondContact O-N 2.97Å; K150-T154 PolarHBondContact O-OG1 3.38Å
151	M	98.2	Very high	96.5	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-70.8	-40.8	177.1	-64.1	-52.2	96.1	0	0	110.9	I35 V44 T64 V147 L148 I149 T154 A155	I35-M151 HydrophobicContact CD1-CB 4.05Å; I35-M151 HydrophobicContact CG1-CB 4.34Å; I35-M151 HydrophobicContact CG2-CB 4.09Å; I35-M151 HydrophobicContact CG2-CG 3.88Å; V44-M151 HydrophobicContact CB-CB 4.23Å; V44-M151 HydrophobicContact CB-SD 4.24Å; V44-M151 HydrophobicContact CG1-SD 4.2Å; T64-M151 HydrophobicContact CG2-CE 3.6Å; T64-M151 VanDerWaalsContact OG1-CE 3.26Å; T64-M151 WeakPolarHBondContact OG1-CE 3.5Å; V147-M151 WeakPolarHBondContact O-CG 3.34Å; V147-M151 PolarHBondContact O-N 3.12Å; V147-M151 VanDerWaalsContact O-N 3.11Å; L148-M151 PolarHBondContact O-N 3.16Å; I149-M151 VanDerWaalsContact C-N 3.26Å; I149-M151 PolarHBondContact O-N 2.88Å; M151-T154 WeakPolarHBondContact O-CB 3.49Å; M151-T154 PolarHBondContact O-N 3.03Å; M151-A155 PolarHBondContact O-N 2.9Å
152	K	96.8	Very high	96.3	Very high	39 Å²	39	39 Å²	39	17%	0.17	22%	0.216	C	C	.	.	H	α-helix	trans	-59.9	-50.9	172.9	179.5	-174.8	171.6	168.2	0	111.2	L148 I149 T154 A155 E156 V163 G190 M191	L148-K152 WeakPolarHBondContact O-CB 3.21Å; L148-K152 PolarHBondContact O-N 2.81Å; I149-K152 WeakPolarHBondContact O-CB 3.35Å; I149-K152 PolarHBondContact O-N 2.77Å; K152-T154 VanDerWaalsContact C-N 3.25Å; K152-T154 PolarHBondContact O-N 3.39Å; K152-A155 PolarHBondContact O-N 3.28Å; K152-A155 VanDerWaalsContact O-N 3.1Å; K152-E156 WeakPolarHBondContact CE-OE1 3.24Å; K152-E156 HydrophobicContact CG-CG 4.23Å; K152-E156 WeakPolarHBondContact O-CB 3.44Å; K152-E156 WeakPolarHBondContact O-CG 3.5Å; K152-E156 PolarHBondContact O-N 3.27Å; K152-V163 WeakPolarHBondContact CE-O 3.38Å; K152-V163 HydrophobicContact CG-CB 4.16Å; K152-V163 HydrophobicContact CG-CG1 4.45Å; K152-G190 PolarHBondContact NZ-O 3.2Å; K152-M191 HydrophobicContact CB-SD 3.8Å; K152-M191 HydrophobicContact CD-CG 3.84Å; K152-M191 HydrophobicContact CD-SD 3.96Å; K152-M191 HydrophobicContact CG-CG 4.49Å; K152-M191 HydrophobicContact CG-SD 4.03Å
153	E	95.4	Very high	96.2	Very high	74 Å²	74	38.6 Å²	38.6	35%	0.346	21%	0.214	S	C	.	.	H	α-helix	trans	-56.7	-40.6	177	-72.7	178.5	148.4	0	0	111.6	I149 E156 S157 R553	I149-E153 HydrophobicContact CG2-CG 4.36Å; I149-E153 WeakPolarHBondContact O-CG 3.25Å; I149-E153 PolarHBondContact O-N 3.21Å; E153-E156 PolarHBondContact O-N 2.92Å; E153-S157 VanDerWaalsContact O-CB 3.31Å; E153-S157 WeakPolarHBondContact O-CB 3.45Å; E153-S157 PolarHBondContact O-N 2.82Å; E153-R553 IonicContact OE1-NH2 2.77Å
154	T	97.7	Very high	96.1	Very high	9 Å²	9	44.3 Å²	44.3	6%	0.055	24%	0.239	C	C	.	.	H	α-helix	trans	-60.6	-47	175.6	-61.2	0	0	0	0	111.4	V44 L55 E56 N57 K150 M151 K152 Y158	V44-T154 HydrophobicContact CG1-CG2 3.74Å; L55-T154 HydrophobicContact CB-CG2 4.09Å; E56-T154 VanDerWaalsContact O-CG2 3.27Å; E56-T154 WeakPolarHBondContact O-CG2 3.46Å; N57-T154 HydrophobicContact CB-CG2 4.33Å; K150-T154 WeakPolarHBondContact O-CB 3.49Å; K150-T154 PolarHBondContact O-N 2.97Å; K150-T154 PolarHBondContact O-OG1 3.38Å; M151-T154 WeakPolarHBondContact O-CB 3.49Å; M151-T154 PolarHBondContact O-N 3.03Å; K152-T154 VanDerWaalsContact C-N 3.25Å; K152-T154 PolarHBondContact O-N 3.39Å; T154-Y158 PolarHBondContact O-N 3.16Å
155	A	97.5	Very high	96	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-67.6	-40.1	177.2	0	0	0	0	0	112.9	V33 V44 L55 M151 K152 Y158 L159 V163	V33-A155 HydrophobicContact CG1-CB 3.96Å; V33-A155 HydrophobicContact CG2-CB 4.02Å; V44-A155 HydrophobicContact CG2-CB 4.19Å; L55-A155 HydrophobicContact CD1-CB 4.04Å; M151-A155 PolarHBondContact O-N 2.9Å; K152-A155 PolarHBondContact O-N 3.28Å; K152-A155 VanDerWaalsContact O-N 3.1Å; A155-Y158 PolarHBondContact O-N 3.08Å; A155-L159 WeakPolarHBondContact O-CB 3.32Å; A155-L159 VanDerWaalsContact O-CG 3.27Å; A155-L159 WeakPolarHBondContact O-CG 3.06Å; A155-L159 PolarHBondContact O-N 2.94Å; A155-V163 HydrophobicContact CB-CG2 3.98Å
156	E	96.4	Very high	96	Very high	49 Å²	49	44.3 Å²	44.3	23%	0.229	24%	0.238	C	C	.	.	H	α-helix	trans	-64.4	-41.4	177.1	-71	-176.8	153	0	0	111.8	K152 E153 Y158 L159 G160 S161 K162 V163	K152-E156 WeakPolarHBondContact CE-OE1 3.24Å; K152-E156 HydrophobicContact CG-CG 4.23Å; K152-E156 WeakPolarHBondContact O-CB 3.44Å; K152-E156 WeakPolarHBondContact O-CG 3.5Å; K152-E156 PolarHBondContact O-N 3.27Å; E153-E156 PolarHBondContact O-N 2.92Å; E156-Y158 VanDerWaalsContact C-N 3.27Å; E156-Y158 PolarHBondContact O-N 3.23Å; E156-L159 PolarHBondContact O-N 3.06Å; E156-G160 WeakPolarHBondContact O-CA 3.36Å; E156-G160 PolarHBondContact O-N 3.35Å; E156-S161 WeakPolarHBondContact CA-O 3.29Å; E156-S161 WeakPolarHBondContact CG-O 3.31Å; E156-K162 WeakPolarHBondContact OE1-CA 3.46Å; E156-V163 HydrophobicContact CG-CB 3.81Å; E156-V163 HydrophobicContact CG-CG2 3.69Å; E156-V163 PolarHBondContact OE1-N 2.86Å
157	S	95.7	Very high	96.1	Very high	105 Å²	105	44.1 Å²	44.1	73%	0.734	24%	0.237	S	C	*	.	H	α-helix	trans	-61.6	-36.9	175.4	-173	0	0	0	0	112	E153	E153-S157 VanDerWaalsContact O-CB 3.31Å; E153-S157 WeakPolarHBondContact O-CB 3.45Å; E153-S157 PolarHBondContact O-N 2.82Å
158	Y	96.2	Very high	96	Very high	99 Å²	99	44 Å²	44	39%	0.388	24%	0.237	S	C	.	.	H	α-helix	trans	-75.5	-45.8	178.4	-176.3	-98.1	0	0	0	112.7	V46 E48 K53 L55 T154 A155 E156	V46-Y158 HydrophobicContact CG2-CD1 4.45Å; V46-Y158 HydrophobicContact CG2-CE1 4.35Å; E48-Y158 WeakPolarHBondContact OE1-CE1 3.3Å; E48-Y158 PolarHBondContact OE1-OH 3.03Å; K53-Y158 WeakPolarHBondContact CE-OH 3.48Å; K53-Y158 PolarHBondContact NZ-OH 3.22Å; L55-Y158 HydrophobicContact CD1-CD1 4.04Å; L55-Y158 HydrophobicContact CD1-CG 4Å; L55-Y158 HydrophobicContact CD2-CD1 3.5Å; L55-Y158 VanDerWaalsContact CD2-CD1 3.5Å; L55-Y158 HydrophobicContact CD2-CD2 3.88Å; L55-Y158 HydrophobicContact CD2-CE1 3.77Å; L55-Y158 HydrophobicContact CD2-CE2 4.13Å; L55-Y158 HydrophobicContact CD2-CG 3.57Å; L55-Y158 HydrophobicContact CG-CD1 4.42Å; L55-Y158 HydrophobicContact CG-CG 4.35Å; T154-Y158 PolarHBondContact O-N 3.16Å; A155-Y158 PolarHBondContact O-N 3.08Å; E156-Y158 VanDerWaalsContact C-N 3.27Å; E156-Y158 PolarHBondContact O-N 3.23Å
159	L	94.7	Very high	96	Very high	41 Å²	41	44 Å²	44	22%	0.215	24%	0.237	C	C	.	.	H	α-helix	trans	-79.7	-16.5	-175.4	-66.4	171.3	0	0	0	113.4	H31 V33 V46 A155 E156 S161 V163	H31-L159 HydrophobicContact CB-CD1 4.01Å; V33-L159 HydrophobicContact CG2-CD1 4.38Å; V46-L159 HydrophobicContact CG1-CD1 4.31Å; A155-L159 WeakPolarHBondContact O-CB 3.32Å; A155-L159 VanDerWaalsContact O-CG 3.27Å; A155-L159 WeakPolarHBondContact O-CG 3.06Å; A155-L159 PolarHBondContact O-N 2.94Å; E156-L159 PolarHBondContact O-N 3.06Å; L159-S161 PolarHBondContact O-N 2.85Å; L159-V163 HydrophobicContact CD1-CG2 3.84Å
160	G	93.7	Very high	95.8	Very high	73 Å²	73	42.9 Å²	42.9	75%	0.753	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.7	17.9	-174.6	0	0	0	0	0	113.9	E156	E156-G160 WeakPolarHBondContact O-CA 3.36Å; E156-G160 PolarHBondContact O-N 3.35Å
161	S	93.3	Very high	95.6	Very high	58 Å²	58	41.7 Å²	41.7	41%	0.406	23%	0.225	S	C	.	.	S	Bend	trans	-147.3	159.3	-177.8	62.1	0	0	0	0	111.3	E156 L159	E156-S161 WeakPolarHBondContact CA-O 3.29Å; E156-S161 WeakPolarHBondContact CG-O 3.31Å; L159-S161 PolarHBondContact O-N 2.85Å
162	K	92.7	Very high	95.1	Very high	196 Å²	196	41.7 Å²	41.7	85%	0.852	23%	0.226	S	C	*	.			trans	-67.8	137	-179.3	-70.9	-170.4	175.6	-174.5	0	111.8	E156	E156-K162 WeakPolarHBondContact OE1-CA 3.46Å
163	V	93.7	Very high	94.5	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.024	23%	0.227	C	C	.	.			trans	-99.1	119.6	176.8	170.1	0	0	0	0	109.1	V33 K152 A155 E156 L159 V166	V33-V163 HydrophobicContact CB-CG1 4.1Å; V33-V163 HydrophobicContact CG2-CB 4.34Å; V33-V163 HydrophobicContact CG2-CG1 3.5Å; V33-V163 VanDerWaalsContact CG2-CG1 3.5Å; V33-V163 HydrophobicContact CG2-CG2 3.82Å; K152-V163 WeakPolarHBondContact CE-O 3.38Å; K152-V163 HydrophobicContact CG-CB 4.16Å; K152-V163 HydrophobicContact CG-CG1 4.45Å; A155-V163 HydrophobicContact CB-CG2 3.98Å; E156-V163 HydrophobicContact CG-CB 3.81Å; E156-V163 HydrophobicContact CG-CG2 3.69Å; E156-V163 PolarHBondContact OE1-N 2.86Å; L159-V163 HydrophobicContact CD1-CG2 3.84Å; V163-V166 HydrophobicContact CG1-CG1 4.17Å
164	K	94.2	Very high	94	Very high	121 Å²	121	38.9 Å²	38.9	53%	0.526	21%	0.211	S	C	.	.			trans	-109.3	-43.9	176.5	-171.9	-174.2	172.6	-139.9	0	112.4	M191 E192	K164-M191 CarbonylContact O-C 3.59Å; K164-M191 WeakPolarHBondContact O-CA 3.23Å; K164-E192 VanDerWaalsContact CE-OE2 3.27Å; K164-E192 WeakPolarHBondContact CE-OE2 3.35Å; K164-E192 HydrophobicContact CG-CB 4.47Å; K164-E192 IonicContact NZ-OE2 3.95Å; K164-E192 PolarHBondContact NZ-OE2 2.83Å; K164-E192 PolarHBondContact O-N 3.49Å
165	N	96.5	Very high	93.1	Very high	6 Å²	6	40 Å²	40	3%	0.032	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	132.9	-168.1	-52.6	-44.6	0	0	0	110.7	K29 V32 V33 L194	K29-N165 PolarHBondContact O-ND2 2.84Å; V32-N165 WeakPolarHBondContact CA-O 3.15Å; V32-N165 HydrophobicContact CG2-CB 4.07Å; V33-N165 PolarHBondContact N-O 2.93Å; N165-L194 HydrophobicContact CB-CD1 3.79Å; N165-L194 HydrophobicContact CB-CG 4.1Å
166	V	97.4	Very high	92.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	154.3	-178.5	-61.4	0	0	0	0	113.6	V33 I35 V163 I168 M191 E192 V193 L194	V33-V166 HydrophobicContact CB-CG1 4.22Å; V33-V166 CarbonylContact O-C 3.44Å; V33-V166 VanDerWaalsContact O-CA 3.24Å; V33-V166 WeakPolarHBondContact O-CA 3.38Å; I35-V166 HydrophobicContact CD1-CB 4.41Å; I35-V166 HydrophobicContact CD1-CG1 4.01Å; V163-V166 HydrophobicContact CG1-CG1 4.17Å; V166-I168 HydrophobicContact CB-CG1 4.44Å; V166-I168 HydrophobicContact CG2-CD1 3.97Å; V166-I168 HydrophobicContact CG2-CG1 3.88Å; V166-M191 HydrophobicContact CB-SD 4.45Å; V166-M191 HydrophobicContact CG1-CB 4.21Å; V166-M191 HydrophobicContact CG1-CE 4.26Å; V166-M191 HydrophobicContact CG1-CG 4.28Å; V166-M191 HydrophobicContact CG1-SD 3.41Å; V166-M191 WeakPolarHBondContact CG1-SD 3.42Å; V166-M191 HydrophobicContact CG2-CB 3.86Å; V166-M191 HydrophobicContact CG2-CE 4.26Å; V166-M191 HydrophobicContact CG2-SD 4.27Å; V166-E192 PolarHBondContact N-O 2.72Å; V166-V193 HydrophobicContact CG2-CB 4.49Å; V166-V193 HydrophobicContact CG2-CG2 4.08Å; V166-L194 PolarHBondContact O-N 2.93Å
167	V	97.3	Very high	91.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	126.5	160.8	177.8	0	0	0	0	107.4	V32 V33 I35 R195 I197 A398 Q401 L405	V32-V167 HydrophobicContact CG1-CG2 3.92Å; V33-V167 PolarHBondContact O-N 3.35Å; I35-V167 PolarHBondContact N-O 3.04Å; V167-R195 WeakPolarHBondContact CA-O 3.48Å; V167-R195 HydrophobicContact CG1-CB 4.26Å; V167-R195 HydrophobicContact CG2-CB 4.19Å; V167-I197 HydrophobicContact CG1-CB 4.11Å; V167-I197 HydrophobicContact CG1-CG2 3.61Å; V167-A398 HydrophobicContact CB-CB 4.45Å; V167-A398 HydrophobicContact CG1-CB 4.1Å; V167-Q401 HydrophobicContact CG1-CB 4.27Å; V167-Q401 HydrophobicContact CG1-CG 4.08Å; V167-Q401 HydrophobicContact CG2-CG 4.27Å; V167-L405 HydrophobicContact CG2-CD1 3.89Å
168	I	97.3	Very high	91	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	138.5	-178.9	-58.4	177	0	0	0	109.2	I35 L37 L148 V166 T182 V193 R195 V196 I197	I35-I168 WeakPolarHBondContact O-CA 3.46Å; L37-I168 HydrophobicContact CB-CG2 4.11Å; L148-I168 HydrophobicContact CD1-CD1 3.85Å; L148-I168 HydrophobicContact CD2-CD1 4.05Å; L148-I168 HydrophobicContact CD2-CG1 4.47Å; V166-I168 HydrophobicContact CB-CG1 4.44Å; V166-I168 HydrophobicContact CG2-CD1 3.97Å; V166-I168 HydrophobicContact CG2-CG1 3.88Å; I168-T182 HydrophobicContact CG2-CG2 3.7Å; I168-V193 HydrophobicContact CD1-CG1 4.32Å; I168-V193 HydrophobicContact CD1-CG2 3.71Å; I168-V193 HydrophobicContact CG1-CG1 4.39Å; I168-R195 PolarHBondContact N-O 3.14Å; I168-V196 WeakPolarHBondContact O-CA 3.44Å; I168-I197 PolarHBondContact O-N 3.07Å
169	T	96.9	Very high	90.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	152.5	179.7	68	0	0	0	0	112.9	I35 D36 L37 I197 A202 V394 A398	I35-T169 PolarHBondContact O-N 3.3Å; D36-T169 VanDerWaalsContact CA-OG1 3.3Å; D36-T169 WeakPolarHBondContact CA-OG1 3.1Å; D36-T169 PolarHBondContact OD1-OG1 3.21Å; L37-T169 PolarHBondContact N-OG1 2.84Å; T169-I197 CarbonylContact C-O 3.58Å; T169-I197 VanDerWaalsContact CA-O 3.29Å; T169-I197 WeakPolarHBondContact CA-O 3.43Å; T169-I197 HydrophobicContact CG2-CG2 3.81Å; T169-A202 HydrophobicContact CG2-CB 4.46Å; T169-V394 HydrophobicContact CG2-CG1 3.38Å; T169-A398 HydrophobicContact CG2-CB 3.83Å
170	V	93.6	Very high	90.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	153.9	169.2	-68.1	0	0	0	0	110.4	A172 F174 R179 T182 V196 I197 N198 E199	V170-A172 PolarHBondContact O-N 3.49Å; V170-F174 HydrophobicContact CB-CB 4.5Å; V170-F174 HydrophobicContact CB-CD2 3.82Å; V170-F174 HydrophobicContact CB-CE2 4.44Å; V170-F174 HydrophobicContact CB-CG 4.34Å; V170-F174 HydrophobicContact CG1-CD2 3.95Å; V170-F174 HydrophobicContact CG1-CE2 4.36Å; V170-R179 HydrophobicContact CG2-CG 4.32Å; V170-T182 HydrophobicContact CG1-CG2 3.75Å; V170-V196 HydrophobicContact CB-CG1 4.09Å; V170-V196 HydrophobicContact CG1-CG1 3.56Å; V170-V196 HydrophobicContact CG2-CG1 3.38Å; V170-I197 PolarHBondContact N-O 2.97Å; V170-N198 CarbonylContact O-C 3.56Å; V170-N198 WeakPolarHBondContact O-CA 3.48Å; V170-E199 VanDerWaalsContact C-CD 3.47Å; V170-E199 WeakPolarHBondContact O-CG 3.36Å; V170-E199 PolarHBondContact O-N 2.81Å
171	P	91.9	Very high	90.1	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.128	C	C	.	.			trans	-55.3	140.5	170.9	-28	38.9	0	0	0	110.3	Y173 F174 E199 T226 D228	P171-Y173 PolarHBondContact O-N 3.37Å; P171-F174 HydrophobicContact CB-CD1 3.6Å; P171-F174 HydrophobicContact CB-CE1 3.9Å; P171-F174 HydrophobicContact CB-CG 4.22Å; P171-F174 HydrophobicContact CG-CD1 3.63Å; P171-F174 HydrophobicContact CG-CE1 3.41Å; P171-F174 VanDerWaalsContact CG-CE1 3.41Å; P171-F174 HydrophobicContact CG-CE2 4.43Å; P171-F174 HydrophobicContact CG-CG 4.26Å; P171-F174 HydrophobicContact CG-CZ 3.86Å; P171-F174 WeakPolarHBondContact O-CB 3.31Å; P171-F174 PolarHBondContact O-N 2.82Å; P171-E199 WeakPolarHBondContact CD-OE1 3.46Å; P171-E199 VanDerWaalsContact N-OE1 3.15Å; P171-T226 HydrophobicContact CB-CG2 4.13Å; P171-T226 HydrophobicContact CG-CG2 3.67Å; P171-D228 WeakPolarHBondContact CA-OD2 3.33Å; P171-D228 WeakPolarHBondContact CB-OD2 3.38Å
172	A	87.6	Confident	90	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.008	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-35.5	-175.9	0	0	0	0	0	111.3	V170 F174 R179 N198 P200 D228 T244 P419	V170-A172 PolarHBondContact O-N 3.49Å; A172-F174 VanDerWaalsContact C-N 3.3Å; A172-F174 PolarHBondContact O-N 2.78Å; A172-R179 PolarHBondContact O-NH2 2.83Å; A172-N198 HydrophobicContact CB-CB 4.17Å; A172-P200 HydrophobicContact CB-CG 4Å; A172-D228 HydrophobicContact CB-CB 4.31Å; A172-D228 PolarHBondContact N-OD1 2.93Å; A172-D228 PolarHBondContact N-OD2 3.2Å; A172-T244 VanDerWaalsContact CB-OG1 3.28Å; A172-T244 WeakPolarHBondContact CB-OG1 3.28Å; A172-P419 WeakPolarHBondContact O-CG 3.27Å
173	Y	84.5	Confident	90	Very high	51 Å²	51	17.2 Å²	17.2	20%	0.2	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	9.1	-179.3	-143.8	-119.2	0	0	0	115	P171 N175 D228 T248 P419 L420	P171-Y173 PolarHBondContact O-N 3.37Å; Y173-N175 PolarHBondContact O-N 2.97Å; Y173-D228 WeakPolarHBondContact CB-OD1 3.41Å; Y173-D228 PolarHBondContact N-OD1 3.23Å; Y173-T248 HydrophobicContact CD1-CG2 4.26Å; Y173-T248 WeakPolarHBondContact O-CG2 3.11Å; Y173-P419 HydrophobicContact CD2-CB 3.94Å; Y173-P419 HydrophobicContact CE2-CB 4.33Å; Y173-L420 HydrophobicContact CE1-CD2 4.4Å; Y173-L420 HydrophobicContact CE2-CD2 3.89Å; Y173-L420 HydrophobicContact CE2-CG 4.41Å; Y173-L420 VanDerWaalsContact OH-CD2 3.31Å; Y173-L420 WeakPolarHBondContact OH-CD2 3.46Å
174	F	84.3	Confident	89.9	Confident	3 Å²	3	17.2 Å²	17.2	1%	0.013	8%	0.079	C	C	.	.			trans	-62.2	134.1	171.4	-94.6	21.9	0	0	0	111.9	K98 I101 V170 P171 A172 Q178 R179 T226 T248	K98-F174 HydrophobicContact CG-CZ 4.2Å; I101-F174 HydrophobicContact CG2-CE2 3.93Å; I101-F174 HydrophobicContact CG2-CZ 4.02Å; V170-F174 HydrophobicContact CB-CB 4.5Å; V170-F174 HydrophobicContact CB-CD2 3.82Å; V170-F174 HydrophobicContact CB-CE2 4.44Å; V170-F174 HydrophobicContact CB-CG 4.34Å; V170-F174 HydrophobicContact CG1-CD2 3.95Å; V170-F174 HydrophobicContact CG1-CE2 4.36Å; P171-F174 HydrophobicContact CB-CD1 3.6Å; P171-F174 HydrophobicContact CB-CE1 3.9Å; P171-F174 HydrophobicContact CB-CG 4.22Å; P171-F174 HydrophobicContact CG-CD1 3.63Å; P171-F174 HydrophobicContact CG-CE1 3.41Å; P171-F174 VanDerWaalsContact CG-CE1 3.41Å; P171-F174 HydrophobicContact CG-CE2 4.43Å; P171-F174 HydrophobicContact CG-CG 4.26Å; P171-F174 HydrophobicContact CG-CZ 3.86Å; P171-F174 WeakPolarHBondContact O-CB 3.31Å; P171-F174 PolarHBondContact O-N 2.82Å; A172-F174 VanDerWaalsContact C-N 3.3Å; A172-F174 PolarHBondContact O-N 2.78Å; F174-Q178 HydrophobicContact CB-CB 4.08Å; F174-Q178 HydrophobicContact CD1-CB 4.33Å; F174-Q178 HydrophobicContact CD2-CB 3.39Å; F174-Q178 HydrophobicContact CD2-CG 4.48Å; F174-Q178 HydrophobicContact CE2-CB 3.77Å; F174-Q178 HydrophobicContact CG-CB 3.69Å; F174-Q178 HydrophobicContact CZ-CB 4.37Å; F174-R179 HydrophobicContact CB-CG 4.04Å; F174-R179 PolarHBondContact O-NE 2.88Å; F174-T226 HydrophobicContact CE1-CG2 4.3Å; F174-T248 HydrophobicContact CD1-CG2 3.93Å; F174-T248 HydrophobicContact CE1-CG2 4.43Å
175	N	78.8	Confident	90	Very high	32 Å²	32	11.4 Å²	11.4	17%	0.171	5%	0.053	C	C	.	.			trans	-77	174.7	172.5	71.3	42.6	0	0	0	111.8	Y173 S177 Q178 R179	Y173-N175 PolarHBondContact O-N 2.97Å; N175-S177 PolarHBondContact O-N 3.45Å; N175-S177 WeakPolarHBondContact OD1-CB 3.39Å; N175-S177 PolarHBondContact OD1-N 3.1Å; N175-Q178 VanDerWaalsContact N-OE1 3.08Å; N175-Q178 PolarHBondContact ND2-OE1 3.24Å; N175-Q178 PolarHBondContact O-N 2.83Å; N175-Q178 WeakPolarHBondContact OD1-CG 3.34Å; N175-Q178 PolarHBondContact OD1-N 2.67Å; N175-R179 WeakPolarHBondContact O-CG 3.44Å; N175-R179 PolarHBondContact O-N 2.85Å
176	D	76.9	Confident	89.9	Confident	13 Å²	13	11.1 Å²	11.1	7%	0.07	5%	0.052	C	C	.	.	H	α-helix	trans	-60.7	-42.8	-175.8	-166.1	56.1	0	0	0	113.2	Q178 R179 Q180 L477 S526	D176-Q178 VanDerWaalsContact C-N 3.33Å; D176-Q178 PolarHBondContact O-N 2.76Å; D176-R179 PolarHBondContact O-N 2.99Å; D176-Q180 WeakPolarHBondContact O-CB 3.36Å; D176-Q180 PolarHBondContact O-N 2.91Å; D176-L477 HydrophobicContact CB-CD2 4.38Å; D176-S526 WeakPolarHBondContact OD2-CB 3.44Å; D176-S526 PolarHBondContact OD2-N 3.02Å; D176-S526 PolarHBondContact OD2-OG 3.13Å
177	S	81.7	Confident	89.7	Confident	18 Å²	18	15 Å²	15	13%	0.126	7%	0.069	C	C	.	.	H	α-helix	trans	-60.1	-40.9	177.2	-61.3	0	0	0	0	112.4	N175 A181	N175-S177 PolarHBondContact O-N 3.45Å; N175-S177 WeakPolarHBondContact OD1-CB 3.39Å; N175-S177 PolarHBondContact OD1-N 3.1Å; S177-A181 WeakPolarHBondContact O-CB 3.28Å; S177-A181 PolarHBondContact O-N 3.18Å
178	Q	87.3	Confident	89.6	Confident	2 Å²	2	15.2 Å²	15.2	1%	0.009	7%	0.07	C	C	.	.	H	α-helix	trans	-70.1	-42.3	179.3	-60.1	176.3	-69.6	0	0	111.6	I101 F174 N175 D176 A181 T182	I101-Q178 WeakPolarHBondContact O-CG 3.43Å; F174-Q178 HydrophobicContact CB-CB 4.08Å; F174-Q178 HydrophobicContact CD1-CB 4.33Å; F174-Q178 HydrophobicContact CD2-CB 3.39Å; F174-Q178 HydrophobicContact CD2-CG 4.48Å; F174-Q178 HydrophobicContact CE2-CB 3.77Å; F174-Q178 HydrophobicContact CG-CB 3.69Å; F174-Q178 HydrophobicContact CZ-CB 4.37Å; N175-Q178 VanDerWaalsContact N-OE1 3.08Å; N175-Q178 PolarHBondContact ND2-OE1 3.24Å; N175-Q178 PolarHBondContact O-N 2.83Å; N175-Q178 WeakPolarHBondContact OD1-CG 3.34Å; N175-Q178 PolarHBondContact OD1-N 2.67Å; D176-Q178 VanDerWaalsContact C-N 3.33Å; D176-Q178 PolarHBondContact O-N 2.76Å; Q178-A181 PolarHBondContact O-N 2.93Å; Q178-T182 PolarHBondContact O-N 3.06Å; Q178-T182 PolarHBondContact O-OG1 3.47Å; Q178-T182 VanDerWaalsContact O-OG1 3.11Å
179	R	88.7	Confident	89.5	Confident	30 Å²	30	15.5 Å²	15.5	11%	0.113	7%	0.072	C	C	.	.	H	α-helix	trans	-60.3	-46.2	174.6	-70.1	175.2	-179.4	-86.2	-6.2	111.3	V170 A172 F174 N175 D176 T182 K183 N198	V170-R179 HydrophobicContact CG2-CG 4.32Å; A172-R179 PolarHBondContact O-NH2 2.83Å; F174-R179 HydrophobicContact CB-CG 4.04Å; F174-R179 PolarHBondContact O-NE 2.88Å; N175-R179 WeakPolarHBondContact O-CG 3.44Å; N175-R179 PolarHBondContact O-N 2.85Å; D176-R179 PolarHBondContact O-N 2.99Å; R179-T182 PolarHBondContact O-N 3.39Å; R179-K183 PolarHBondContact O-N 2.84Å; R179-N198 VanDerWaalsContact CZ-OD1 3.23Å; R179-N198 PolarHBondContact NH1-OD1 3.38Å; R179-N198 PolarHBondContact NH2-OD1 3.15Å
180	Q	86.3	Confident	89.3	Confident	31 Å²	31	17.3 Å²	17.3	15%	0.145	9%	0.091	C	C	.	.	H	α-helix	trans	-65.7	-42.9	178.8	-173	53.7	51.1	0	0	111.5	D176 T182 K183 D184 S526	D176-Q180 WeakPolarHBondContact O-CB 3.36Å; D176-Q180 PolarHBondContact O-N 2.91Å; Q180-T182 VanDerWaalsContact C-N 3.32Å; Q180-T182 PolarHBondContact O-N 3.48Å; Q180-K183 WeakPolarHBondContact O-CB 3.31Å; Q180-K183 PolarHBondContact O-N 3.01Å; Q180-K183 VanDerWaalsContact O-N 3.12Å; Q180-D184 VanDerWaalsContact NE2-CG 3.28Å; Q180-D184 PolarHBondContact NE2-OD1 3.14Å; Q180-D184 PolarHBondContact NE2-OD2 2.93Å; Q180-D184 VanDerWaalsContact NE2-OD2 3.14Å; Q180-D184 VanDerWaalsContact O-CG 3.26Å; Q180-D184 PolarHBondContact O-N 3.09Å; Q180-S526 WeakPolarHBondContact CB-O 3.49Å; Q180-S526 VanDerWaalsContact CG-O 3.27Å; Q180-S526 WeakPolarHBondContact CG-O 3.43Å
181	A	90.7	Very high	89.4	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-61.4	-37	176.9	0	0	0	0	0	112.8	I101 S141 S177 Q178 D184 A185 G528	I101-A181 HydrophobicContact CD1-CB 4.36Å; I101-A181 HydrophobicContact CG1-CB 3.68Å; S141-A181 PolarHBondContact OG-O 3.09Å; S177-A181 WeakPolarHBondContact O-CB 3.28Å; S177-A181 PolarHBondContact O-N 3.18Å; Q178-A181 PolarHBondContact O-N 2.93Å; A181-D184 PolarHBondContact O-N 2.93Å; A181-A185 PolarHBondContact O-N 2.79Å; A181-G528 WeakPolarHBondContact CB-O 3.5Å
182	T	92.6	Very high	89.5	Confident	1 Å²	1	21.9 Å²	21.9	1%	0.006	11%	0.113	C	C	.	.	H	α-helix	trans	-67.9	-41.5	172.1	-60	0	0	0	0	111.9	L37 I168 V170 Q178 R179 Q180 D184 A185 G186	L37-T182 HydrophobicContact CD2-CG2 4.16Å; I168-T182 HydrophobicContact CG2-CG2 3.7Å; V170-T182 HydrophobicContact CG1-CG2 3.75Å; Q178-T182 PolarHBondContact O-N 3.06Å; Q178-T182 PolarHBondContact O-OG1 3.47Å; Q178-T182 VanDerWaalsContact O-OG1 3.11Å; R179-T182 PolarHBondContact O-N 3.39Å; Q180-T182 VanDerWaalsContact C-N 3.32Å; Q180-T182 PolarHBondContact O-N 3.48Å; T182-D184 VanDerWaalsContact C-N 3.28Å; T182-D184 PolarHBondContact O-N 3Å; T182-A185 WeakPolarHBondContact O-CB 3.19Å; T182-A185 PolarHBondContact O-N 3.06Å; T182-G186 PolarHBondContact O-N 3.11Å
183	K	91.9	Very high	89.8	Confident	49 Å²	49	22.5 Å²	22.5	21%	0.213	12%	0.116	C	C	.	.	H	α-helix	trans	-61.1	-39.7	174.3	-173.6	173.4	-175	171.1	0	111.6	R179 Q180 G186 K187 V193 V196	R179-K183 PolarHBondContact O-N 2.84Å; Q180-K183 WeakPolarHBondContact O-CB 3.31Å; Q180-K183 PolarHBondContact O-N 3.01Å; Q180-K183 VanDerWaalsContact O-N 3.12Å; K183-G186 PolarHBondContact O-N 3.29Å; K183-K187 PolarHBondContact O-N 2.86Å; K183-K187 VanDerWaalsContact O-N 3.15Å; K183-V193 HydrophobicContact CG-CB 4.12Å; K183-V193 HydrophobicContact CG-CG1 4.32Å; K183-V193 HydrophobicContact CG-CG2 4.42Å; K183-V196 HydrophobicContact CB-CG2 4.29Å
184	D	92	Very high	90.2	Very high	3 Å²	3	22.1 Å²	22.1	2%	0.016	12%	0.117	C	C	.	.	H	α-helix	trans	-69.9	-33.9	177.4	-65.4	-30.7	0	0	0	111.8	Q180 A181 T182 G186 K187 I188 I535	Q180-D184 VanDerWaalsContact NE2-CG 3.28Å; Q180-D184 PolarHBondContact NE2-OD1 3.14Å; Q180-D184 PolarHBondContact NE2-OD2 2.93Å; Q180-D184 VanDerWaalsContact NE2-OD2 3.14Å; Q180-D184 VanDerWaalsContact O-CG 3.26Å; Q180-D184 PolarHBondContact O-N 3.09Å; A181-D184 PolarHBondContact O-N 2.93Å; T182-D184 VanDerWaalsContact C-N 3.28Å; T182-D184 PolarHBondContact O-N 3Å; D184-G186 VanDerWaalsContact C-N 3.29Å; D184-G186 PolarHBondContact O-N 3.22Å; D184-K187 PolarHBondContact O-N 3.13Å; D184-K187 VanDerWaalsContact O-N 3.16Å; D184-K187 IonicContact OD1-NZ 3.43Å; D184-K187 PolarHBondContact OD1-NZ 3.44Å; D184-I188 VanDerWaalsContact O-CG1 3.24Å; D184-I188 WeakPolarHBondContact O-CG1 3.43Å; D184-I188 PolarHBondContact O-N 3.05Å; D184-I535 HydrophobicContact CB-CD1 4.03Å; D184-I535 HydrophobicContact CB-CG1 4.43Å
185	A	95.5	Very high	90.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-57.3	-42	169.1	0	0	0	0	0	112	S141 A145 L148 A181 T182 I188 A189	S141-A185 VanDerWaalsContact O-CB 3.23Å; S141-A185 WeakPolarHBondContact O-CB 3.14Å; A145-A185 VanDerWaalsContact CB-O 3.26Å; A145-A185 WeakPolarHBondContact CB-O 3.37Å; L148-A185 HydrophobicContact CD1-CB 3.91Å; A181-A185 PolarHBondContact O-N 2.79Å; T182-A185 WeakPolarHBondContact O-CB 3.19Å; T182-A185 PolarHBondContact O-N 3.06Å; A185-I188 PolarHBondContact O-N 3.35Å; A185-A189 WeakPolarHBondContact O-CB 3.25Å; A185-A189 PolarHBondContact O-N 3.31Å
186	G	95.4	Very high	91.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.6	-40.5	174.4	0	0	0	0	0	113.5	T182 K183 D184 A189 M191	T182-G186 PolarHBondContact O-N 3.11Å; K183-G186 PolarHBondContact O-N 3.29Å; D184-G186 VanDerWaalsContact C-N 3.29Å; D184-G186 PolarHBondContact O-N 3.22Å; G186-A189 PolarHBondContact O-N 2.86Å; G186-M191 PolarHBondContact O-N 2.89Å; G186-M191 VanDerWaalsContact O-N 3.08Å
187	K	93.6	Very high	91.9	Very high	82 Å²	82	23.5 Å²	23.5	36%	0.357	12%	0.121	S	C	.	.	H	α-helix	trans	-65	-44.5	174.1	-66.9	176.1	-169.3	155.3	0	112.1	K183 D184 A189 G190 I535	K183-K187 PolarHBondContact O-N 2.86Å; K183-K187 VanDerWaalsContact O-N 3.15Å; D184-K187 PolarHBondContact O-N 3.13Å; D184-K187 VanDerWaalsContact O-N 3.16Å; D184-K187 IonicContact OD1-NZ 3.43Å; D184-K187 PolarHBondContact OD1-NZ 3.44Å; K187-A189 PolarHBondContact O-N 2.98Å; K187-G190 WeakPolarHBondContact O-CA 3.47Å; K187-G190 PolarHBondContact O-N 3.06Å; K187-I535 HydrophobicContact CB-CG2 4.35Å
188	I	94.3	Very high	92.5	Very high	3 Å²	3	23 Å²	23	2%	0.015	12%	0.117	C	C	.	.	H	α-helix	trans	-59.4	-34.1	177	-65.8	163.9	0	0	0	110.6	Q142 A145 D184 A185 G190 L530 I535 M538 A542	Q142-I188 HydrophobicContact CG-CD1 4.31Å; A145-I188 HydrophobicContact CB-CB 3.63Å; A145-I188 HydrophobicContact CB-CG2 3.42Å; A145-I188 VanDerWaalsContact CB-CG2 3.42Å; D184-I188 VanDerWaalsContact O-CG1 3.24Å; D184-I188 WeakPolarHBondContact O-CG1 3.43Å; D184-I188 PolarHBondContact O-N 3.05Å; A185-I188 PolarHBondContact O-N 3.35Å; I188-G190 PolarHBondContact O-N 3.35Å; I188-L530 HydrophobicContact CD1-CD1 3.94Å; I188-I535 HydrophobicContact CG1-CG2 4.31Å; I188-M538 HydrophobicContact CD1-CB 4.08Å; I188-M538 HydrophobicContact CD1-SD 3.8Å; I188-M538 HydrophobicContact CG1-CB 3.94Å; I188-M538 HydrophobicContact CG2-CB 4.08Å; I188-A542 HydrophobicContact CG2-CB 4.3Å; I188-A542 WeakPolarHBondContact O-CB 2.95Å
189	A	95.5	Very high	92.9	Very high	7 Å²	7	23.3 Å²	23.3	6%	0.058	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	3.3	174.2	0	0	0	0	0	114.6	A145 L148 I149 A185 G186 K187 M191	A145-A189 HydrophobicContact CB-CB 4.27Å; L148-A189 HydrophobicContact CB-CB 3.83Å; I149-A189 HydrophobicContact CG1-CB 3.78Å; A185-A189 WeakPolarHBondContact O-CB 3.25Å; A185-A189 PolarHBondContact O-N 3.31Å; G186-A189 PolarHBondContact O-N 2.86Å; K187-A189 PolarHBondContact O-N 2.98Å; A189-M191 HydrophobicContact CB-CE 3.82Å
190	G	93.4	Very high	93.1	Very high	38 Å²	38	21.9 Å²	21.9	39%	0.392	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	35.8	-179.5	0	0	0	0	0	113.1	K152 K187 I188	K152-G190 PolarHBondContact NZ-O 3.2Å; K187-G190 WeakPolarHBondContact O-CA 3.47Å; K187-G190 PolarHBondContact O-N 3.06Å; I188-G190 PolarHBondContact O-N 3.35Å
191	M	94.9	Very high	93.5	Very high	8 Å²	8	20.5 Å²	20.5	4%	0.039	11%	0.107	C	C	.	.			trans	-123.6	147.7	177.8	-57.9	-175	-65.1	0	0	111.5	I35 L148 K152 K164 V166 G186 A189	I35-M191 HydrophobicContact CD1-CE 3.97Å; I35-M191 HydrophobicContact CD1-SD 4.2Å; L148-M191 HydrophobicContact CB-CE 3.75Å; L148-M191 HydrophobicContact CD1-CE 4.4Å; L148-M191 HydrophobicContact CD2-CE 4.34Å; L148-M191 HydrophobicContact CG-CE 4.39Å; K152-M191 HydrophobicContact CB-SD 3.8Å; K152-M191 HydrophobicContact CD-CG 3.84Å; K152-M191 HydrophobicContact CD-SD 3.96Å; K152-M191 HydrophobicContact CG-CG 4.49Å; K152-M191 HydrophobicContact CG-SD 4.03Å; K164-M191 CarbonylContact O-C 3.59Å; K164-M191 WeakPolarHBondContact O-CA 3.23Å; V166-M191 HydrophobicContact CB-SD 4.45Å; V166-M191 HydrophobicContact CG1-CB 4.21Å; V166-M191 HydrophobicContact CG1-CE 4.26Å; V166-M191 HydrophobicContact CG1-CG 4.28Å; V166-M191 HydrophobicContact CG1-SD 3.41Å; V166-M191 WeakPolarHBondContact CG1-SD 3.42Å; V166-M191 HydrophobicContact CG2-CB 3.86Å; V166-M191 HydrophobicContact CG2-CE 4.26Å; V166-M191 HydrophobicContact CG2-SD 4.27Å; G186-M191 PolarHBondContact O-N 2.89Å; G186-M191 VanDerWaalsContact O-N 3.08Å; A189-M191 HydrophobicContact CB-CE 3.82Å
192	E	94.7	Very high	93.8	Very high	88 Å²	88	20.5 Å²	20.5	41%	0.411	11%	0.107	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	106.4	171.8	-171	172.8	169	0	0	109.3	K164 V166 L194	K164-E192 VanDerWaalsContact CE-OE2 3.27Å; K164-E192 WeakPolarHBondContact CE-OE2 3.35Å; K164-E192 HydrophobicContact CG-CB 4.47Å; K164-E192 IonicContact NZ-OE2 3.95Å; K164-E192 PolarHBondContact NZ-OE2 2.83Å; K164-E192 PolarHBondContact O-N 3.49Å; V166-E192 PolarHBondContact N-O 2.72Å; E192-L194 HydrophobicContact CG-CD2 4.05Å; E192-L194 PolarHBondContact O-N 3.02Å; E192-L194 VanDerWaalsContact O-N 3.14Å
193	V	94	Very high	93.9	Very high	14 Å²	14	20.4 Å²	20.4	9%	0.085	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	97.9	177.8	-173.1	0	0	0	0	109.2	V166 I168 K183 V196	V166-V193 HydrophobicContact CG2-CB 4.49Å; V166-V193 HydrophobicContact CG2-CG2 4.08Å; I168-V193 HydrophobicContact CD1-CG1 4.32Å; I168-V193 HydrophobicContact CD1-CG2 3.71Å; I168-V193 HydrophobicContact CG1-CG1 4.39Å; K183-V193 HydrophobicContact CG-CB 4.12Å; K183-V193 HydrophobicContact CG-CG1 4.32Å; K183-V193 HydrophobicContact CG-CG2 4.42Å; V193-V196 HydrophobicContact CG1-CG2 3.87Å
194	L	92.9	Very high	94.1	Very high	42 Å²	42	18.1 Å²	18.1	22%	0.22	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	-34.3	-178.4	-62.6	-174.5	0	0	0	112.3	P28 V32 N165 V166 E192 L405	P28-L194 HydrophobicContact CB-CD1 3.68Å; P28-L194 HydrophobicContact CG-CD1 3.68Å; V32-L194 HydrophobicContact CG1-CD1 3.93Å; V32-L194 HydrophobicContact CG2-CD1 3.79Å; N165-L194 HydrophobicContact CB-CD1 3.79Å; N165-L194 HydrophobicContact CB-CG 4.1Å; V166-L194 PolarHBondContact O-N 2.93Å; E192-L194 HydrophobicContact CG-CD2 4.05Å; E192-L194 PolarHBondContact O-N 3.02Å; E192-L194 VanDerWaalsContact O-N 3.14Å; L194-L405 HydrophobicContact CB-CD1 4.03Å
195	R	91	Very high	94.1	Very high	55 Å²	55	18 Å²	18	21%	0.208	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	142.3	178.5	-175.6	75.2	78.7	135.5	10	109.9	V167 I168 Q401 L405 A503 N504	V167-R195 WeakPolarHBondContact CA-O 3.48Å; V167-R195 HydrophobicContact CG1-CB 4.26Å; V167-R195 HydrophobicContact CG2-CB 4.19Å; I168-R195 PolarHBondContact N-O 3.14Å; R195-Q401 HydrophobicContact CG-CG 4.24Å; R195-L405 HydrophobicContact CB-CD1 3.79Å; R195-A503 VanDerWaalsContact NH1-CB 3.35Å; R195-A503 PolarHBondContact NH1-O 2.76Å; R195-N504 WeakPolarHBondContact CD-OD1 3.39Å
196	V	91.2	Very high	94.1	Very high	18 Å²	18	19.1 Å²	19.1	11%	0.109	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	115.4	162.5	176.5	0	0	0	0	106.8	I168 V170 K183 V193	I168-V196 WeakPolarHBondContact O-CA 3.44Å; V170-V196 HydrophobicContact CB-CG1 4.09Å; V170-V196 HydrophobicContact CG1-CG1 3.56Å; V170-V196 HydrophobicContact CG2-CG1 3.38Å; K183-V196 HydrophobicContact CB-CG2 4.29Å; V193-V196 HydrophobicContact CG1-CG2 3.87Å
197	I	93.3	Very high	93.9	Very high	5 Å²	5	19.7 Å²	19.7	3%	0.026	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	144.2	-176.2	-170.5	169.4	0	0	0	110.7	V167 I168 T169 V170 T201 A202 L205 A398 Q401 L414	V167-I197 HydrophobicContact CG1-CB 4.11Å; V167-I197 HydrophobicContact CG1-CG2 3.61Å; I168-I197 PolarHBondContact O-N 3.07Å; T169-I197 CarbonylContact C-O 3.58Å; T169-I197 VanDerWaalsContact CA-O 3.29Å; T169-I197 WeakPolarHBondContact CA-O 3.43Å; T169-I197 HydrophobicContact CG2-CG2 3.81Å; V170-I197 PolarHBondContact N-O 2.97Å; I197-T201 HydrophobicContact CD1-CG2 4.31Å; I197-T201 HydrophobicContact CG1-CG2 4.35Å; I197-A202 HydrophobicContact CD1-CB 4.06Å; I197-A202 HydrophobicContact CG1-CB 4.36Å; I197-A202 HydrophobicContact CG2-CB 4.21Å; I197-L205 HydrophobicContact CD1-CD1 3.75Å; I197-A398 HydrophobicContact CG2-CB 4.25Å; I197-Q401 HydrophobicContact CD1-CB 3.83Å; I197-Q401 HydrophobicContact CD1-CG 3.95Å; I197-L414 HydrophobicContact CD1-CD2 4.24Å
198	N	93	Very high	93.7	Very high	7 Å²	7	16 Å²	16	4%	0.037	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	135.7	174.1	-66	-26.8	0	0	0	110.8	V170 A172 R179 T201 A202 D416	V170-N198 CarbonylContact O-C 3.56Å; V170-N198 WeakPolarHBondContact O-CA 3.48Å; A172-N198 HydrophobicContact CB-CB 4.17Å; R179-N198 VanDerWaalsContact CZ-OD1 3.23Å; R179-N198 PolarHBondContact NH1-OD1 3.38Å; R179-N198 PolarHBondContact NH2-OD1 3.15Å; N198-T201 WeakPolarHBondContact O-CB 3.35Å; N198-T201 PolarHBondContact O-N 3.25Å; N198-T201 VanDerWaalsContact O-N 3.1Å; N198-A202 PolarHBondContact O-N 3.06Å; N198-D416 PolarHBondContact ND2-OD1 2.8Å; N198-D416 PolarHBondContact ND2-OD2 3.2Å
199	E	95.4	Very high	93.2	Very high	9 Å²	9	17.8 Å²	17.8	4%	0.042	10%	0.101	C	C	.	.	H	α-helix	trans	-55	-49.6	-178.3	-74.4	161.2	-161.7	0	0	113	K98 V170 P171 T201 A202 A203 V394	K98-E199 IonicContact NZ-OE1 3.23Å; K98-E199 PolarHBondContact NZ-OE1 3.48Å; V170-E199 VanDerWaalsContact C-CD 3.47Å; V170-E199 WeakPolarHBondContact O-CG 3.36Å; V170-E199 PolarHBondContact O-N 2.81Å; P171-E199 WeakPolarHBondContact CD-OE1 3.46Å; P171-E199 VanDerWaalsContact N-OE1 3.15Å; E199-T201 VanDerWaalsContact C-N 3.28Å; E199-T201 PolarHBondContact O-N 3.29Å; E199-A202 PolarHBondContact O-N 3.36Å; E199-A203 PolarHBondContact O-N 3.05Å; E199-V394 HydrophobicContact CB-CG1 4.2Å; E199-V394 HydrophobicContact CB-CG2 4.43Å; E199-V394 HydrophobicContact CG-CG1 3.87Å
200	P	94.7	Very high	92.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.1	-34.2	176.6	-23.3	34.5	0	0	0	113.2	A172 A203 A204 V219 D228 S230	A172-P200 HydrophobicContact CB-CG 4Å; P200-A203 PolarHBondContact O-N 3.1Å; P200-A204 WeakPolarHBondContact O-CB 3.33Å; P200-A204 PolarHBondContact O-N 2.95Å; P200-V219 HydrophobicContact CB-CB 3.98Å; P200-V219 HydrophobicContact CB-CG1 3.79Å; P200-D228 HydrophobicContact CG-CB 3.66Å; P200-S230 WeakPolarHBondContact CB-OG 3.47Å
201	T	94.3	Very high	91.9	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-67.2	-42.8	177	-57.1	0	0	0	0	111	I197 N198 E199 A204 L205 L414 D416	I197-T201 HydrophobicContact CD1-CG2 4.31Å; I197-T201 HydrophobicContact CG1-CG2 4.35Å; N198-T201 WeakPolarHBondContact O-CB 3.35Å; N198-T201 PolarHBondContact O-N 3.25Å; N198-T201 VanDerWaalsContact O-N 3.1Å; E199-T201 VanDerWaalsContact C-N 3.28Å; E199-T201 PolarHBondContact O-N 3.29Å; T201-A204 WeakPolarHBondContact O-CB 3.36Å; T201-A204 PolarHBondContact O-N 3.2Å; T201-L205 WeakPolarHBondContact O-CG 3.46Å; T201-L205 PolarHBondContact O-N 2.97Å; T201-L414 HydrophobicContact CG2-CD1 3.22Å; T201-L414 HydrophobicContact CG2-CD2 3.56Å; T201-L414 HydrophobicContact CG2-CG 3.98Å; T201-D416 PolarHBondContact OG1-OD2 3.05Å
202	A	95.8	Very high	91	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.7	-47.1	174	0	0	0	0	0	110.9	T169 I197 N198 E199 A204 L205 A206 V394 G397	T169-A202 HydrophobicContact CG2-CB 4.46Å; I197-A202 HydrophobicContact CD1-CB 4.06Å; I197-A202 HydrophobicContact CG1-CB 4.36Å; I197-A202 HydrophobicContact CG2-CB 4.21Å; N198-A202 PolarHBondContact O-N 3.06Å; E199-A202 PolarHBondContact O-N 3.36Å; A202-A204 VanDerWaalsContact C-N 3.27Å; A202-A204 PolarHBondContact O-N 2.89Å; A202-L205 WeakPolarHBondContact O-CB 3.49Å; A202-L205 PolarHBondContact O-N 2.92Å; A202-L205 VanDerWaalsContact O-N 3.11Å; A202-A206 PolarHBondContact O-N 3.31Å; A202-V394 HydrophobicContact CB-CG1 4.35Å; A202-V394 WeakPolarHBondContact CB-O 3.42Å; A202-G397 WeakPolarHBondContact O-CA 3.5Å
203	A	95.7	Very high	90.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60.4	-36.4	176.5	0	0	0	0	0	113	E199 P200 A206 Y207 V219 V363 A393 V394	E199-A203 PolarHBondContact O-N 3.05Å; P200-A203 PolarHBondContact O-N 3.1Å; A203-A206 PolarHBondContact O-N 3.25Å; A203-Y207 WeakPolarHBondContact O-CB 3.5Å; A203-Y207 PolarHBondContact O-N 2.8Å; A203-V219 HydrophobicContact CB-CG1 4.09Å; A203-V363 HydrophobicContact CB-CG1 4.35Å; A203-V363 HydrophobicContact CB-CG2 3.51Å; A203-A393 HydrophobicContact CB-CB 3.96Å; A203-V394 HydrophobicContact CB-CG2 4.39Å
204	A	94.7	Very high	90.3	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64.4	-41.3	173.7	0	0	0	0	0	112.6	P200 T201 A202 Y207 G208 I217 V219 L232 F239	P200-A204 WeakPolarHBondContact O-CB 3.33Å; P200-A204 PolarHBondContact O-N 2.95Å; T201-A204 WeakPolarHBondContact O-CB 3.36Å; T201-A204 PolarHBondContact O-N 3.2Å; A202-A204 VanDerWaalsContact C-N 3.27Å; A202-A204 PolarHBondContact O-N 2.89Å; A204-Y207 WeakPolarHBondContact O-CB 3.26Å; A204-Y207 PolarHBondContact O-N 2.96Å; A204-G208 PolarHBondContact O-N 3.17Å; A204-I217 HydrophobicContact CB-CD1 3.89Å; A204-V219 HydrophobicContact CB-CG2 4.27Å; A204-L232 HydrophobicContact CB-CD1 4.22Å; A204-L232 HydrophobicContact CB-CD2 3.59Å; A204-L232 HydrophobicContact CB-CG 4.46Å; A204-F239 HydrophobicContact CB-CD1 4.45Å; A204-F239 WeakPolarHBondContact O-CE1 3.39Å
205	L	94	Very high	90.3	Very high	2 Å²	2	36 Å²	36	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-59.8	-45.6	173.9	-71.1	174.4	0	0	0	111.4	I197 T201 A202 Y207 G208 L209 F239 I400 Q401 V412	I197-L205 HydrophobicContact CD1-CD1 3.75Å; T201-L205 WeakPolarHBondContact O-CG 3.46Å; T201-L205 PolarHBondContact O-N 2.97Å; A202-L205 WeakPolarHBondContact O-CB 3.49Å; A202-L205 PolarHBondContact O-N 2.92Å; A202-L205 VanDerWaalsContact O-N 3.11Å; L205-Y207 VanDerWaalsContact C-N 3.3Å; L205-Y207 PolarHBondContact O-N 3.19Å; L205-G208 PolarHBondContact O-N 2.96Å; L205-L209 PolarHBondContact O-N 2.69Å; L205-L209 VanDerWaalsContact O-N 3.09Å; L205-F239 HydrophobicContact CD2-CD1 4.16Å; L205-F239 HydrophobicContact CD2-CD2 3.79Å; L205-F239 HydrophobicContact CD2-CE1 4.31Å; L205-F239 HydrophobicContact CD2-CE2 3.97Å; L205-F239 HydrophobicContact CD2-CG 3.91Å; L205-F239 HydrophobicContact CD2-CZ 4.22Å; L205-I400 HydrophobicContact CB-CD1 4.37Å; L205-I400 HydrophobicContact CB-CG2 4.39Å; L205-Q401 HydrophobicContact CD1-CB 4.2Å; L205-V412 HydrophobicContact CD2-CG1 3.7Å
206	A	93.9	Very high	90.5	Very high	23 Å²	23	34.6 Å²	34.6	19%	0.19	19%	0.185	C	C	.	.	H	α-helix	trans	-63	-36.4	177.4	0	0	0	0	0	112.7	A202 A203 A393 M396	A202-A206 PolarHBondContact O-N 3.31Å; A203-A206 PolarHBondContact O-N 3.25Å; A206-A393 VanDerWaalsContact CB-O 3.22Å; A206-A393 WeakPolarHBondContact CB-O 3.2Å; A206-M396 HydrophobicContact CB-CB 3.99Å; A206-M396 HydrophobicContact CB-CE 4.45Å
207	Y	92.1	Very high	90.8	Very high	12 Å²	12	33.8 Å²	33.8	5%	0.047	18%	0.179	C	C	.	.	H	α-helix	trans	-68.9	-40.2	174.7	166.9	-98.2	0	0	0	113.3	A203 A204 L205 R211 I217 I234 E359 I361 S387 V388	A203-Y207 WeakPolarHBondContact O-CB 3.5Å; A203-Y207 PolarHBondContact O-N 2.8Å; A204-Y207 WeakPolarHBondContact O-CB 3.26Å; A204-Y207 PolarHBondContact O-N 2.96Å; L205-Y207 VanDerWaalsContact C-N 3.3Å; L205-Y207 PolarHBondContact O-N 3.19Å; Y207-R211 VanDerWaalsContact CE2-NE 3.35Å; Y207-R211 VanDerWaalsContact CZ-NH1 3.34Å; Y207-R211 WeakPolarHBondContact O-CD 3.39Å; Y207-R211 PolarHBondContact O-NE 2.67Å; Y207-R211 PolarHBondContact OH-NH1 2.83Å; Y207-I217 HydrophobicContact CD1-CD1 4.02Å; Y207-I217 HydrophobicContact CE1-CD1 4.33Å; Y207-I217 HydrophobicContact CE1-CG2 3.84Å; Y207-I234 HydrophobicContact CD1-CD1 3.82Å; Y207-I234 HydrophobicContact CE1-CD1 3.93Å; Y207-E359 HydrophobicContact CE2-CG 3.92Å; Y207-E359 WeakPolarHBondContact OH-CB 3.45Å; Y207-E359 WeakPolarHBondContact OH-CG 3.1Å; Y207-I361 HydrophobicContact CD2-CD1 3.33Å; Y207-I361 HydrophobicContact CD2-CG1 4.15Å; Y207-I361 HydrophobicContact CE2-CD1 3.42Å; Y207-I361 VanDerWaalsContact CE2-CD1 3.42Å; Y207-I361 HydrophobicContact CE2-CG1 4.49Å; Y207-I361 HydrophobicContact CG-CD1 3.91Å; Y207-I361 HydrophobicContact CG-CG1 4.24Å; Y207-S387 WeakPolarHBondContact CD2-OG 2.92Å; Y207-V388 HydrophobicContact CD2-CG2 3.91Å; Y207-V388 HydrophobicContact CG-CG2 4.38Å
208	G	89.1	Confident	91	Very high	3 Å²	3	33.5 Å²	33.5	3%	0.031	18%	0.178	C	C	.	.	H	α-helix	trans	-96.9	-8.6	-165.9	0	0	0	0	0	116	A204 L205 D210 R211	A204-G208 PolarHBondContact O-N 3.17Å; L205-G208 PolarHBondContact O-N 2.96Å; G208-D210 VanDerWaalsContact C-N 3.29Å; G208-D210 PolarHBondContact O-N 3.36Å; G208-R211 PolarHBondContact O-N 3.17Å
209	L	84.5	Confident	91.2	Very high	42 Å²	42	33.2 Å²	33.2	22%	0.22	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-43.7	-173.7	-174.7	66.4	0	0	0	113.6	P52 L205 I400 V409 V412	P52-L209 HydrophobicContact CG-CD2 4.44Å; L205-L209 PolarHBondContact O-N 2.69Å; L205-L209 VanDerWaalsContact O-N 3.09Å; L209-I400 HydrophobicContact CB-CD1 4.15Å; L209-I400 HydrophobicContact CD1-CD1 4.43Å; L209-I400 HydrophobicContact CD1-CG2 4.13Å; L209-I400 HydrophobicContact CD2-CD1 3.89Å; L209-I400 HydrophobicContact CD2-CG1 4.11Å; L209-I400 HydrophobicContact CG-CD1 4.39Å; L209-V409 HydrophobicContact CD1-CG1 4.44Å; L209-V412 HydrophobicContact CD1-CG2 4.34Å
210	D	81.2	Confident	91.4	Very high	122 Å²	122	32.8 Å²	32.8	65%	0.652	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.4	10.6	-178.1	-63	-42.6	0	0	0	113.2	G208	G208-D210 VanDerWaalsContact C-N 3.29Å; G208-D210 PolarHBondContact O-N 3.36Å
211	R	80.2	Confident	91.5	Very high	80 Å²	80	33 Å²	33	30%	0.302	18%	0.176	S	C	.	.			trans	-105.4	135.4	-174.6	-61.5	-167.8	-178	-133.6	3.3	111.9	Y207 G208 S387	Y207-R211 VanDerWaalsContact CE2-NE 3.35Å; Y207-R211 VanDerWaalsContact CZ-NH1 3.34Å; Y207-R211 WeakPolarHBondContact O-CD 3.39Å; Y207-R211 PolarHBondContact O-NE 2.67Å; Y207-R211 PolarHBondContact OH-NH1 2.83Å; G208-R211 PolarHBondContact O-N 3.17Å; R211-S387 PolarHBondContact NH2-OG 2.87Å; R211-S387 VanDerWaalsContact NH2-OG 3.08Å
212	T	74.7	Confident	91.7	Very high	113 Å²	113	33 Å²	33	69%	0.693	18%	0.175	S	C	*	.			trans	-109	-10.2	180	51.7	0	0	0	0	113.7
213	D	84.8	Confident	91.8	Very high	107 Å²	107	33.5 Å²	33.5	57%	0.572	18%	0.181	S	C	*	.	S	Bend	trans	-77.6	133.3	-176.5	-55.2	-38.3	0	0	0	111.4	K215	D213-K215 PolarHBondContact O-N 3.29Å
214	D	90.7	Very high	91.8	Very high	95 Å²	95	34.2 Å²	34.2	51%	0.508	19%	0.189	S	C	.	.			trans	-68.5	119.6	170.9	-63.2	-16.7	0	0	0	108.9	I234 Q235 K236	D214-I234 CarbonylContact C-O 3.55Å; D214-I234 VanDerWaalsContact CA-O 3.27Å; D214-I234 WeakPolarHBondContact CA-O 3.49Å; D214-Q235 HydrophobicContact CB-CG 4.26Å; D214-Q235 WeakPolarHBondContact OD1-CA 3.48Å; D214-K236 PolarHBondContact OD1-N 3.3Å
215	K	92.2	Very high	91.8	Very high	61 Å²	61	34.2 Å²	34.2	27%	0.265	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	137.3	-174.7	-160.5	-179.1	-108.9	-173.8	0	112.4	D213 I217 I234 G358 E359	D213-K215 PolarHBondContact O-N 3.29Å; K215-I217 HydrophobicContact CD-CG2 4.34Å; K215-I217 HydrophobicContact CG-CG2 4.38Å; K215-I234 PolarHBondContact N-O 2.94Å; K215-I234 PolarHBondContact O-N 3.06Å; K215-G358 WeakPolarHBondContact CE-O 3.42Å; K215-G358 PolarHBondContact NZ-O 2.88Å; K215-E359 HydrophobicContact CD-CB 4.05Å; K215-E359 IonicContact NZ-OE2 2.78Å; K215-E359 PolarHBondContact NZ-OE2 3.44Å
216	T	95.7	Very high	91.9	Very high	27 Å²	27	34.4 Å²	34.4	17%	0.166	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	130.3	165.2	-50.2	0	0	0	0	109.6	V231 L232 I357 G358 E359	T216-V231 HydrophobicContact CG2-CG1 3.7Å; T216-L232 CarbonylContact C-O 3.52Å; T216-L232 VanDerWaalsContact CA-O 3.29Å; T216-L232 WeakPolarHBondContact CA-O 3.08Å; T216-I357 HydrophobicContact CG2-CD1 3.89Å; T216-G358 WeakPolarHBondContact O-CA 3.1Å; T216-G358 PolarHBondContact O-N 3.01Å; T216-E359 PolarHBondContact O-N 3.04Å
217	I	96.4	Very high	92	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	153.6	179.2	66.5	165	0	0	0	111.1	A204 Y207 K215 V219 V231 L232 I234 E359 I361	A204-I217 HydrophobicContact CB-CD1 3.89Å; Y207-I217 HydrophobicContact CD1-CD1 4.02Å; Y207-I217 HydrophobicContact CE1-CD1 4.33Å; Y207-I217 HydrophobicContact CE1-CG2 3.84Å; K215-I217 HydrophobicContact CD-CG2 4.34Å; K215-I217 HydrophobicContact CG-CG2 4.38Å; I217-V219 HydrophobicContact CD1-CG2 3.95Å; I217-V231 WeakPolarHBondContact O-CA 3.35Å; I217-L232 HydrophobicContact CG1-CB 3.96Å; I217-L232 HydrophobicContact CG1-CD1 4.35Å; I217-L232 PolarHBondContact N-O 3.11Å; I217-L232 PolarHBondContact O-N 3.33Å; I217-I234 HydrophobicContact CD1-CD1 3.67Å; I217-I234 HydrophobicContact CD1-CG1 4.46Å; I217-I234 HydrophobicContact CG1-CD1 4.15Å; I217-I234 HydrophobicContact CG2-CD1 4.32Å; I217-E359 CarbonylContact C-O 3.48Å; I217-E359 VanDerWaalsContact CA-O 3.23Å; I217-E359 WeakPolarHBondContact CA-O 3.18Å; I217-E359 HydrophobicContact CB-CB 4.44Å; I217-E359 HydrophobicContact CG2-CB 3.76Å; I217-I361 HydrophobicContact CD1-CG1 4.38Å
218	A	97.7	Very high	92.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	123.6	168.2	0	0	0	0	0	109	I229 S230 I357 E359 I360 I361 F380	A218-I229 HydrophobicContact CB-CD1 4.23Å; A218-S230 CarbonylContact C-O 3.48Å; A218-S230 WeakPolarHBondContact CA-O 3.38Å; A218-I357 HydrophobicContact CB-CD1 4.36Å; A218-I357 HydrophobicContact CB-CG2 3.84Å; A218-E359 PolarHBondContact N-O 2.87Å; A218-I360 CarbonylContact O-C 3.56Å; A218-I360 WeakPolarHBondContact O-CA 3.48Å; A218-I361 PolarHBondContact O-N 3.36Å; A218-F380 HydrophobicContact CB-CD1 4.37Å; A218-F380 HydrophobicContact CB-CE1 3.77Å; A218-F380 HydrophobicContact CB-CZ 3.94Å
219	V	97.9	Very high	92.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	109.5	175.3	-177.7	0	0	0	0	108.2	P200 A203 A204 I217 I229 S230 L232 I361 V363	P200-V219 HydrophobicContact CB-CB 3.98Å; P200-V219 HydrophobicContact CB-CG1 3.79Å; A203-V219 HydrophobicContact CB-CG1 4.09Å; A204-V219 HydrophobicContact CB-CG2 4.27Å; I217-V219 HydrophobicContact CD1-CG2 3.95Å; V219-I229 WeakPolarHBondContact O-CA 3.31Å; V219-I229 VanDerWaalsContact O-CD1 3.25Å; V219-I229 WeakPolarHBondContact O-CD1 3.48Å; V219-S230 PolarHBondContact N-O 2.92Å; V219-S230 PolarHBondContact O-N 2.69Å; V219-L232 HydrophobicContact CB-CD1 4.35Å; V219-L232 HydrophobicContact CG2-CD1 3.72Å; V219-I361 HydrophobicContact CG2-CB 4.24Å; V219-I361 HydrophobicContact CG2-CG1 4.42Å; V219-V363 HydrophobicContact CG1-CG2 3.75Å
220	Y	98.1	Very high	93.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	106.3	177.1	-176.3	-75.6	0	0	0	108.2	L222 F227 T339 I361 L362 V363 T367 V372 V376	Y220-L222 HydrophobicContact CD1-CB 4.41Å; Y220-L222 HydrophobicContact CE1-CB 3.8Å; Y220-L222 HydrophobicContact CE1-CD2 4.45Å; Y220-F227 HydrophobicContact CD1-CE2 4.09Å; Y220-F227 AromaticContact CD2-CE2 3.68Å; Y220-F227 HydrophobicContact CD2-CE2 3.68Å; Y220-F227 AromaticContact CD2-CZ 3.96Å; Y220-F227 HydrophobicContact CD2-CZ 3.96Å; Y220-F227 HydrophobicContact CE1-CD2 4.33Å; Y220-F227 AromaticContact CE1-CE2 3.78Å; Y220-F227 HydrophobicContact CE1-CE2 3.78Å; Y220-F227 AromaticContact CE2-CE2 3.35Å; Y220-F227 HydrophobicContact CE2-CE2 3.35Å; Y220-F227 AromaticContact CE2-CZ 3.53Å; Y220-F227 HydrophobicContact CE2-CZ 3.53Å; Y220-F227 HydrophobicContact CG-CE2 4.04Å; Y220-F227 AromaticContact CZ-CE2 3.41Å; Y220-F227 VanDerWaalsContact CZ-CE2 3.41Å; Y220-F227 AromaticContact CZ-CZ 3.96Å; Y220-T339 WeakPolarHBondContact OH-CB 3.4Å; Y220-T339 VanDerWaalsContact OH-CG2 3.31Å; Y220-T339 WeakPolarHBondContact OH-CG2 3.2Å; Y220-T339 PolarHBondContact OH-OG1 3.09Å; Y220-I361 PolarHBondContact N-O 3.03Å; Y220-L362 HydrophobicContact CD1-CD2 4.09Å; Y220-L362 HydrophobicContact CG-CD2 4.32Å; Y220-L362 WeakPolarHBondContact O-CA 3.48Å; Y220-V363 PolarHBondContact O-N 3.34Å; Y220-T367 HydrophobicContact CD1-CG2 3.89Å; Y220-T367 HydrophobicContact CE1-CG2 4.09Å; Y220-V372 HydrophobicContact CE1-CG1 3.78Å; Y220-V376 HydrophobicContact CD1-CG2 4Å; Y220-V376 HydrophobicContact CD2-CG2 3.7Å; Y220-V376 HydrophobicContact CE1-CG2 3.98Å; Y220-V376 HydrophobicContact CE2-CG2 3.65Å; Y220-V376 HydrophobicContact CG-CG2 3.87Å
221	D	97.9	Very high	94	Very high	5 Å²	5	24.9 Å²	24.9	3%	0.027	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	108.3	-177.7	-166.7	-19.3	0	0	0	110.2	F227 D228 V363	D221-F227 CarbonylContact O-C 3.52Å; D221-F227 VanDerWaalsContact O-CA 3.29Å; D221-F227 WeakPolarHBondContact O-CA 3.32Å; D221-F227 VanDerWaalsContact O-CD2 3.28Å; D221-F227 WeakPolarHBondContact O-CD2 3.47Å; D221-D228 HydrophobicContact CB-CB 4.4Å; D221-D228 PolarHBondContact N-O 3.09Å; D221-D228 PolarHBondContact O-N 3.4Å; D221-V363 WeakPolarHBondContact CA-O 3.13Å; D221-V363 HydrophobicContact CB-CB 3.96Å; D221-V363 HydrophobicContact CB-CG1 4.39Å; D221-V363 WeakPolarHBondContact OD2-CG1 3.46Å
222	L	98.2	Very high	94.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	96	174.4	-172.7	67.7	0	0	0	109.1	Y220 F227 L250 F255 T339 V363 G364 M366 T367 V372	Y220-L222 HydrophobicContact CD1-CB 4.41Å; Y220-L222 HydrophobicContact CE1-CB 3.8Å; Y220-L222 HydrophobicContact CE1-CD2 4.45Å; L222-F227 HydrophobicContact CB-CD2 4.19Å; L222-F227 HydrophobicContact CD1-CB 3.67Å; L222-F227 HydrophobicContact CD1-CD2 3.85Å; L222-F227 HydrophobicContact CD1-CG 4.02Å; L222-L250 HydrophobicContact CD1-CG 4.47Å; L222-F255 HydrophobicContact CD2-CZ 4.41Å; L222-T339 HydrophobicContact CD1-CG2 4.39Å; L222-V363 PolarHBondContact N-O 3.05Å; L222-G364 CarbonylContact O-C 3.53Å; L222-M366 HydrophobicContact CB-CB 4.42Å; L222-M366 HydrophobicContact CD2-CB 3.98Å; L222-M366 HydrophobicContact CD2-CG 3.67Å; L222-M366 HydrophobicContact CG-CB 3.84Å; L222-M366 HydrophobicContact CG-CG 3.97Å; L222-M366 VanDerWaalsContact O-CB 3.25Å; L222-M366 WeakPolarHBondContact O-CB 3.46Å; L222-M366 PolarHBondContact O-N 3.47Å; L222-T367 HydrophobicContact CB-CG2 3.82Å; L222-V372 HydrophobicContact CD2-CG1 4.14Å; L222-V372 HydrophobicContact CD2-CG2 4.13Å
223	G	97.3	Very high	95.8	Very high	12 Å²	12	18 Å²	18	12%	0.124	10%	0.1	C	C	.	.			trans	-91.7	-156.1	-177.2	0	0	0	0	0	113.9	T226 G251 G252	G223-T226 PolarHBondContact N-O 3.41Å; G223-G251 WeakPolarHBondContact O-CA 3.49Å; G223-G252 PolarHBondContact O-N 3.18Å
224	G	96.5	Very high	96.2	Very high	15 Å²	15	13.2 Å²	13.2	16%	0.155	7%	0.074	C	C	.	.	S	Bend	trans	-73.6	-26	179.3	0	0	0	0	0	114.9	T40 G251 G252 E253	T40-G224 WeakPolarHBondContact OG1-CA 3.24Å; G224-G251 CarbonylContact O-C 3.58Å; G224-G252 PolarHBondContact O-N 3.03Å; G224-E253 WeakPolarHBondContact O-CG 3.33Å; G224-E253 PolarHBondContact O-N 3.13Å
225	G	95.4	Very high	96.2	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.068	C	C	.	.	S	Bend	trans	-149	-1.6	-179.7	0	0	0	0	0	116.2	L250	G225-L250 CarbonylContact C-O 3.52Å; G225-L250 CarbonylContact O-C 3.56Å; G225-L250 PolarHBondContact O-N 3.07Å
226	T	95	Very high	95.9	Very high	6 Å²	6	18 Å²	18	4%	0.037	9%	0.091	C	C	.	.			trans	-132.7	150.5	179.2	54.6	0	0	0	0	111	P171 F174 G223 L250	P171-T226 HydrophobicContact CB-CG2 4.13Å; P171-T226 HydrophobicContact CG-CG2 3.67Å; F174-T226 HydrophobicContact CE1-CG2 4.3Å; G223-T226 PolarHBondContact N-O 3.41Å; T226-L250 CarbonylContact C-O 3.55Å; T226-L250 WeakPolarHBondContact CA-O 3.36Å; T226-L250 PolarHBondContact N-O 2.89Å
227	F	97.3	Very high	95.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	126.6	171.6	171.6	-122.7	0	0	0	108.9	Y220 D221 L222 I229 G246 D247 L250 T339 P342	Y220-F227 HydrophobicContact CD1-CE2 4.09Å; Y220-F227 AromaticContact CD2-CE2 3.68Å; Y220-F227 HydrophobicContact CD2-CE2 3.68Å; Y220-F227 AromaticContact CD2-CZ 3.96Å; Y220-F227 HydrophobicContact CD2-CZ 3.96Å; Y220-F227 HydrophobicContact CE1-CD2 4.33Å; Y220-F227 AromaticContact CE1-CE2 3.78Å; Y220-F227 HydrophobicContact CE1-CE2 3.78Å; Y220-F227 AromaticContact CE2-CE2 3.35Å; Y220-F227 HydrophobicContact CE2-CE2 3.35Å; Y220-F227 AromaticContact CE2-CZ 3.53Å; Y220-F227 HydrophobicContact CE2-CZ 3.53Å; Y220-F227 HydrophobicContact CG-CE2 4.04Å; Y220-F227 AromaticContact CZ-CE2 3.41Å; Y220-F227 VanDerWaalsContact CZ-CE2 3.41Å; Y220-F227 AromaticContact CZ-CZ 3.96Å; D221-F227 CarbonylContact O-C 3.52Å; D221-F227 VanDerWaalsContact O-CA 3.29Å; D221-F227 WeakPolarHBondContact O-CA 3.32Å; D221-F227 VanDerWaalsContact O-CD2 3.28Å; D221-F227 WeakPolarHBondContact O-CD2 3.47Å; L222-F227 HydrophobicContact CB-CD2 4.19Å; L222-F227 HydrophobicContact CD1-CB 3.67Å; L222-F227 HydrophobicContact CD1-CD2 3.85Å; L222-F227 HydrophobicContact CD1-CG 4.02Å; F227-I229 HydrophobicContact CE1-CG2 4.47Å; F227-I229 HydrophobicContact CZ-CB 4.14Å; F227-I229 HydrophobicContact CZ-CG2 4.21Å; F227-G246 CarbonylContact O-C 3.55Å; F227-G246 WeakPolarHBondContact O-CA 3.41Å; F227-D247 HydrophobicContact CB-CB 4.5Å; F227-D247 PolarHBondContact N-O 3.04Å; F227-D247 PolarHBondContact O-N 3.37Å; F227-L250 HydrophobicContact CB-CB 4.26Å; F227-L250 HydrophobicContact CB-CD2 4.13Å; F227-L250 HydrophobicContact CB-CG 4.25Å; F227-L250 HydrophobicContact CD1-CD2 4.31Å; F227-L250 HydrophobicContact CG-CD2 4.45Å; F227-L250 PolarHBondContact N-O 3Å; F227-L250 VanDerWaalsContact N-O 3.13Å; F227-T339 HydrophobicContact CD1-CG2 3.96Å; F227-T339 HydrophobicContact CD2-CG2 4.19Å; F227-T339 VanDerWaalsContact CE1-CA 3.43Å; F227-T339 VanDerWaalsContact CE1-CB 3.5Å; F227-T339 HydrophobicContact CE1-CG2 4.02Å; F227-T339 WeakPolarHBondContact CE1-O 3.21Å; F227-T339 HydrophobicContact CE2-CG2 4.3Å; F227-T339 HydrophobicContact CG-CG2 4.05Å; F227-T339 HydrophobicContact CZ-CG2 4.22Å; F227-P342 HydrophobicContact CD1-CB 4.5Å; F227-P342 HydrophobicContact CD1-CG 4.33Å; F227-P342 HydrophobicContact CE1-CB 3.77Å; F227-P342 HydrophobicContact CE1-CG 3.88Å
228	D	96.2	Very high	95.1	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	148	171.9	-66.9	-61.9	0	0	0	110.4	P171 A172 Y173 P200 D221	P171-D228 WeakPolarHBondContact CA-OD2 3.33Å; P171-D228 WeakPolarHBondContact CB-OD2 3.38Å; A172-D228 HydrophobicContact CB-CB 4.31Å; A172-D228 PolarHBondContact N-OD1 2.93Å; A172-D228 PolarHBondContact N-OD2 3.2Å; Y173-D228 WeakPolarHBondContact CB-OD1 3.41Å; Y173-D228 PolarHBondContact N-OD1 3.23Å; P200-D228 HydrophobicContact CG-CB 3.66Å; D221-D228 HydrophobicContact CB-CB 4.4Å; D221-D228 PolarHBondContact N-O 3.09Å; D221-D228 PolarHBondContact O-N 3.4Å
229	I	97.4	Very high	94.9	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	122.2	168.5	177.8	58.9	0	0	0	108.6	A218 V219 F227 T244 N245 P342 C343 A346 F380	A218-I229 HydrophobicContact CB-CD1 4.23Å; V219-I229 WeakPolarHBondContact O-CA 3.31Å; V219-I229 VanDerWaalsContact O-CD1 3.25Å; V219-I229 WeakPolarHBondContact O-CD1 3.48Å; F227-I229 HydrophobicContact CE1-CG2 4.47Å; F227-I229 HydrophobicContact CZ-CB 4.14Å; F227-I229 HydrophobicContact CZ-CG2 4.21Å; I229-T244 CarbonylContact O-C 3.6Å; I229-T244 WeakPolarHBondContact O-CA 3.47Å; I229-N245 HydrophobicContact CG2-CB 4.02Å; I229-N245 PolarHBondContact N-O 3.32Å; I229-N245 PolarHBondContact O-N 2.9Å; I229-P342 HydrophobicContact CG2-CB 3.88Å; I229-C343 HydrophobicContact CG1-CB 4.38Å; I229-A346 HydrophobicContact CG1-CB 4.15Å; I229-A346 HydrophobicContact CG2-CB 4.04Å; I229-F380 HydrophobicContact CD1-CZ 4.04Å
230	S	97.2	Very high	94.7	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.007	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	136.8	175.1	-65	0	0	0	0	110.8	P200 A218 V219 S243 T244	P200-S230 WeakPolarHBondContact CB-OG 3.47Å; A218-S230 CarbonylContact C-O 3.48Å; A218-S230 WeakPolarHBondContact CA-O 3.38Å; V219-S230 PolarHBondContact N-O 2.92Å; V219-S230 PolarHBondContact O-N 2.69Å; S230-S243 VanDerWaalsContact CA-O 3.31Å; S230-S243 WeakPolarHBondContact CA-O 3.15Å; S230-T244 WeakPolarHBondContact OG-CB 3.3Å; S230-T244 PolarHBondContact OG-OG1 3.35Å
231	V	97.7	Very high	94.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	123.5	169.4	-179.5	0	0	0	0	107.6	T216 I217 K242 S243 A346 L347 A350 V352 I357	T216-V231 HydrophobicContact CG2-CG1 3.7Å; I217-V231 WeakPolarHBondContact O-CA 3.35Å; V231-K242 HydrophobicContact CG1-CB 4.49Å; V231-K242 PolarHBondContact O-N 3.07Å; V231-S243 PolarHBondContact N-O 3.25Å; V231-S243 PolarHBondContact O-N 2.85Å; V231-A346 HydrophobicContact CG2-CB 4.31Å; V231-L347 HydrophobicContact CG2-CD2 4.42Å; V231-A350 HydrophobicContact CB-CB 3.92Å; V231-A350 HydrophobicContact CG1-CB 3.88Å; V231-A350 HydrophobicContact CG2-CB 4.34Å; V231-V352 HydrophobicContact CG1-CG2 4.05Å; V231-I357 HydrophobicContact CG1-CD1 4.01Å
232	L	96.4	Very high	94.5	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	147.4	-178.9	-57	92.7	0	0	0	110.7	A204 T216 I217 V219 E240 V241	A204-L232 HydrophobicContact CB-CD1 4.22Å; A204-L232 HydrophobicContact CB-CD2 3.59Å; A204-L232 HydrophobicContact CB-CG 4.46Å; T216-L232 CarbonylContact C-O 3.52Å; T216-L232 VanDerWaalsContact CA-O 3.29Å; T216-L232 WeakPolarHBondContact CA-O 3.08Å; I217-L232 HydrophobicContact CG1-CB 3.96Å; I217-L232 HydrophobicContact CG1-CD1 4.35Å; I217-L232 PolarHBondContact N-O 3.11Å; I217-L232 PolarHBondContact O-N 3.33Å; V219-L232 HydrophobicContact CB-CD1 4.35Å; V219-L232 HydrophobicContact CG2-CD1 3.72Å; L232-E240 CarbonylContact C-O 3.55Å; L232-E240 VanDerWaalsContact CA-O 3.26Å; L232-E240 WeakPolarHBondContact CA-O 3.4Å; L232-V241 HydrophobicContact CD2-CG2 3.65Å; L232-V241 HydrophobicContact CG-CG2 4.05Å
233	E	95	Very high	94.4	Very high	49 Å²	49	25 Å²	25	23%	0.229	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	121.7	170.6	-175.6	167	-157.1	0	0	108.6	Q235 E240 K242	E233-Q235 HydrophobicContact CG-CG 4.06Å; E233-Q235 PolarHBondContact OE1-NE2 3.42Å; E233-E240 PolarHBondContact N-O 3.04Å; E233-E240 PolarHBondContact O-N 3.22Å; E233-K242 HydrophobicContact CB-CD 3.91Å; E233-K242 HydrophobicContact CB-CG 4.08Å; E233-K242 IonicContact OE2-NZ 3.04Å; E233-K242 PolarHBondContact OE2-NZ 3Å
234	I	93.4	Very high	94.3	Very high	5 Å²	5	24.5 Å²	24.5	3%	0.026	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	121.3	176.8	-57.1	176.1	0	0	0	107.2	Y207 D214 K215 I217 V238 F239	Y207-I234 HydrophobicContact CD1-CD1 3.82Å; Y207-I234 HydrophobicContact CE1-CD1 3.93Å; D214-I234 CarbonylContact C-O 3.55Å; D214-I234 VanDerWaalsContact CA-O 3.27Å; D214-I234 WeakPolarHBondContact CA-O 3.49Å; K215-I234 PolarHBondContact N-O 2.94Å; K215-I234 PolarHBondContact O-N 3.06Å; I217-I234 HydrophobicContact CD1-CD1 3.67Å; I217-I234 HydrophobicContact CD1-CG1 4.46Å; I217-I234 HydrophobicContact CG1-CD1 4.15Å; I217-I234 HydrophobicContact CG2-CD1 4.32Å; I234-V238 CarbonylContact C-O 3.58Å; I234-V238 WeakPolarHBondContact CA-O 3.29Å; I234-F239 HydrophobicContact CD1-CD1 3.97Å; I234-F239 HydrophobicContact CD1-CE1 3.7Å; I234-F239 HydrophobicContact CG1-CD1 3.75Å; I234-F239 HydrophobicContact CG1-CE1 3.9Å; I234-F239 HydrophobicContact CG2-CD1 4.39Å; I234-F239 HydrophobicContact CG2-CE1 4.07Å; I234-F239 HydrophobicContact CG2-CZ 4.23Å
235	Q	90.9	Very high	94.1	Very high	85 Å²	85	24.1 Å²	24.1	40%	0.397	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	111	176.3	-65.5	-178.3	11.8	0	0	110.1	D214 E233 G237 V238	D214-Q235 HydrophobicContact CB-CG 4.26Å; D214-Q235 WeakPolarHBondContact OD1-CA 3.48Å; E233-Q235 HydrophobicContact CG-CG 4.06Å; E233-Q235 PolarHBondContact OE1-NE2 3.42Å; Q235-G237 VanDerWaalsContact C-N 3.34Å; Q235-G237 PolarHBondContact O-N 3.03Å; Q235-V238 PolarHBondContact N-O 2.77Å; Q235-V238 WeakPolarHBondContact O-CA 3.42Å; Q235-V238 VanDerWaalsContact O-CB 3.29Å; Q235-V238 WeakPolarHBondContact O-CB 3.28Å; Q235-V238 PolarHBondContact O-N 2.54Å
236	K	86.5	Confident	93.9	Very high	171 Å²	171	24.6 Å²	24.6	74%	0.743	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	44.4	51.6	173.8	-58.1	179.2	-176.1	174.8	0	114.4	D214 V238	D214-K236 PolarHBondContact OD1-N 3.3Å; K236-V238 VanDerWaalsContact C-N 3.28Å; K236-V238 PolarHBondContact O-N 3.06Å
237	G	85	Confident	93.7	Very high	17 Å²	17	26.2 Å²	26.2	18%	0.175	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	-4.5	-179.8	0	0	0	0	0	115.3	Q235 F239 D411 V412 L413	Q235-G237 VanDerWaalsContact C-N 3.34Å; Q235-G237 PolarHBondContact O-N 3.03Å; G237-F239 WeakPolarHBondContact O-CD2 3.19Å; G237-D411 WeakPolarHBondContact CA-O 3.41Å; G237-V412 WeakPolarHBondContact O-CA 3.27Å; G237-L413 PolarHBondContact O-N 3.2Å
238	V	91.1	Very high	93.2	Very high	48 Å²	48	27.2 Å²	27.2	29%	0.291	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	125.3	168.6	-173.1	0	0	0	0	109.2	I234 Q235 K236 L413 L415	I234-V238 CarbonylContact C-O 3.58Å; I234-V238 WeakPolarHBondContact CA-O 3.29Å; Q235-V238 PolarHBondContact N-O 2.77Å; Q235-V238 WeakPolarHBondContact O-CA 3.42Å; Q235-V238 VanDerWaalsContact O-CB 3.29Å; Q235-V238 WeakPolarHBondContact O-CB 3.28Å; Q235-V238 PolarHBondContact O-N 2.54Å; K236-V238 VanDerWaalsContact C-N 3.28Å; K236-V238 PolarHBondContact O-N 3.06Å; V238-L413 CarbonylContact C-O 3.53Å; V238-L413 WeakPolarHBondContact CA-O 3.32Å; V238-L413 HydrophobicContact CG1-CD2 4.44Å; V238-L413 HydrophobicContact CG2-CB 4.35Å; V238-L413 HydrophobicContact CG2-CD2 4.43Å; V238-L415 HydrophobicContact CG1-CD1 4.12Å
239	F	93.6	Very high	93	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.018	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	108	175.9	-66	-103.3	0	0	0	108	A204 L205 I234 G237 V412 L413 L414 L415	A204-F239 HydrophobicContact CB-CD1 4.45Å; A204-F239 WeakPolarHBondContact O-CE1 3.39Å; L205-F239 HydrophobicContact CD2-CD1 4.16Å; L205-F239 HydrophobicContact CD2-CD2 3.79Å; L205-F239 HydrophobicContact CD2-CE1 4.31Å; L205-F239 HydrophobicContact CD2-CE2 3.97Å; L205-F239 HydrophobicContact CD2-CG 3.91Å; L205-F239 HydrophobicContact CD2-CZ 4.22Å; I234-F239 HydrophobicContact CD1-CD1 3.97Å; I234-F239 HydrophobicContact CD1-CE1 3.7Å; I234-F239 HydrophobicContact CG1-CD1 3.75Å; I234-F239 HydrophobicContact CG1-CE1 3.9Å; I234-F239 HydrophobicContact CG2-CD1 4.39Å; I234-F239 HydrophobicContact CG2-CE1 4.07Å; I234-F239 HydrophobicContact CG2-CZ 4.23Å; G237-F239 WeakPolarHBondContact O-CD2 3.19Å; F239-V412 HydrophobicContact CD2-CG1 4.07Å; F239-V412 HydrophobicContact CE2-CG1 4.04Å; F239-L413 PolarHBondContact N-O 3.44Å; F239-L414 HydrophobicContact CB-CD1 3.93Å; F239-L415 PolarHBondContact O-N 3.29Å
240	E	93.9	Very high	92.9	Very high	52 Å²	52	27.8 Å²	27.8	24%	0.243	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	117	-179.8	-171.6	-173.3	147.8	0	0	110.3	L232 E233 K242 L415	L232-E240 CarbonylContact C-O 3.55Å; L232-E240 VanDerWaalsContact CA-O 3.26Å; L232-E240 WeakPolarHBondContact CA-O 3.4Å; E233-E240 PolarHBondContact N-O 3.04Å; E233-E240 PolarHBondContact O-N 3.22Å; E240-K242 HydrophobicContact CB-CD 4.47Å; E240-K242 HydrophobicContact CG-CD 4.05Å; E240-K242 PolarHBondContact O-N 2.84Å; E240-K242 IonicContact OE1-NZ 2.77Å; E240-K242 PolarHBondContact OE1-NZ 3.27Å; E240-K242 IonicContact OE2-NZ 3.71Å; E240-L415 WeakPolarHBondContact CA-O 3.42Å; E240-L415 HydrophobicContact CB-CB 4.32Å; E240-L415 HydrophobicContact CG-CB 4.13Å; E240-L415 HydrophobicContact CG-CD1 4.37Å
241	V	95.3	Very high	92.9	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	118.3	170.7	-175.4	0	0	0	0	108	L232 L415 D416 V417	L232-V241 HydrophobicContact CD2-CG2 3.65Å; L232-V241 HydrophobicContact CG-CG2 4.05Å; V241-L415 PolarHBondContact N-O 3.41Å; V241-D416 HydrophobicContact CG2-CB 4.47Å; V241-V417 HydrophobicContact CB-CG1 4.17Å; V241-V417 HydrophobicContact CB-CG2 4.16Å; V241-V417 HydrophobicContact CG1-CG1 4.37Å; V241-V417 HydrophobicContact CG1-CG2 3.63Å; V241-V417 WeakPolarHBondContact O-CG1 3.42Å
242	K	95.7	Very high	92.9	Very high	58 Å²	58	27.9 Å²	27.9	25%	0.252	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-38.1	178.3	-52.1	-55.8	-71.4	-158.9	0	111.2	V231 E233 E240 A350	V231-K242 HydrophobicContact CG1-CB 4.49Å; V231-K242 PolarHBondContact O-N 3.07Å; E233-K242 HydrophobicContact CB-CD 3.91Å; E233-K242 HydrophobicContact CB-CG 4.08Å; E233-K242 IonicContact OE2-NZ 3.04Å; E233-K242 PolarHBondContact OE2-NZ 3Å; E240-K242 HydrophobicContact CB-CD 4.47Å; E240-K242 HydrophobicContact CG-CD 4.05Å; E240-K242 PolarHBondContact O-N 2.84Å; E240-K242 IonicContact OE1-NZ 2.77Å; E240-K242 PolarHBondContact OE1-NZ 3.27Å; E240-K242 IonicContact OE2-NZ 3.71Å; K242-A350 HydrophobicContact CB-CB 3.64Å
243	S	95.9	Very high	92.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	156.5	175.1	68.9	0	0	0	0	111.9	S230 V231 A346 A350 N438	S230-S243 VanDerWaalsContact CA-O 3.31Å; S230-S243 WeakPolarHBondContact CA-O 3.15Å; V231-S243 PolarHBondContact N-O 3.25Å; V231-S243 PolarHBondContact O-N 2.85Å; S243-A346 WeakPolarHBondContact CB-O 3.18Å; S243-A346 VanDerWaalsContact OG-C 3.27Å; S243-A346 WeakPolarHBondContact OG-CA 3.07Å; S243-A346 PolarHBondContact OG-O 2.9Å; S243-A350 WeakPolarHBondContact OG-CB 3.47Å; S243-N438 WeakPolarHBondContact CA-OD1 3.4Å
244	T	94.4	Very high	93	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	147.3	168.9	-169.9	0	0	0	0	111	A172 I229 S230 V417 P419 N438	A172-T244 VanDerWaalsContact CB-OG1 3.28Å; A172-T244 WeakPolarHBondContact CB-OG1 3.28Å; I229-T244 CarbonylContact O-C 3.6Å; I229-T244 WeakPolarHBondContact O-CA 3.47Å; S230-T244 WeakPolarHBondContact OG-CB 3.3Å; S230-T244 PolarHBondContact OG-OG1 3.35Å; T244-V417 HydrophobicContact CG2-CG2 4.03Å; T244-P419 HydrophobicContact CG2-CB 3.72Å; T244-N438 PolarHBondContact N-OD1 2.87Å; T244-N438 PolarHBondContact O-OD1 3.18Å
245	N	92.3	Very high	93.2	Very high	8 Å²	8	27.1 Å²	27.1	4%	0.043	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	171.3	172.6	-146.1	-87.3	0	0	0	108.9	I229 P342 A346	I229-N245 HydrophobicContact CG2-CB 4.02Å; I229-N245 PolarHBondContact N-O 3.32Å; I229-N245 PolarHBondContact O-N 2.9Å; N245-P342 HydrophobicContact CB-CB 4.04Å; N245-P342 WeakPolarHBondContact OD1-CB 3.42Å; N245-A346 HydrophobicContact CB-CB 4.26Å
246	G	92	Very high	93.5	Very high	9 Å²	9	23.3 Å²	23.3	9%	0.093	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.5	-170.8	-179.4	0	0	0	0	0	114.2	F227	F227-G246 CarbonylContact O-C 3.55Å; F227-G246 WeakPolarHBondContact O-CA 3.41Å
247	D	90.4	Very high	93.9	Very high	41 Å²	41	15.4 Å²	15.4	22%	0.219	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	107.3	174	-173.5	-21.8	0	0	0	108.4	F227 F249 L250 R338	F227-D247 HydrophobicContact CB-CB 4.5Å; F227-D247 PolarHBondContact N-O 3.04Å; F227-D247 PolarHBondContact O-N 3.37Å; D247-F249 PolarHBondContact O-N 3.25Å; D247-F249 VanDerWaalsContact O-N 3.09Å; D247-F249 VanDerWaalsContact OD1-C 3.3Å; D247-F249 WeakPolarHBondContact OD1-CA 3.41Å; D247-F249 PolarHBondContact OD1-N 3.09Å; D247-L250 HydrophobicContact CB-CB 3.8Å; D247-L250 HydrophobicContact CB-CD2 4.24Å; D247-R338 IonicContact OD1-NH2 2.66Å; D247-R338 IonicContact OD2-CZ 3.91Å; D247-R338 IonicContact OD2-NE 2.77Å; D247-R338 IonicContact OD2-NH2 3.92Å; D247-R338 PolarHBondContact OD2-NH2 2.94Å
248	T	87.1	Confident	94.5	Very high	20 Å²	20	17.1 Å²	17.1	12%	0.123	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	5.5	-178.4	62.3	0	0	0	0	113.4	R103 Y173 F174	R103-T248 PolarHBondContact NH2-O 3.24Å; R103-T248 PolarHBondContact NH2-OG1 3.16Å; Y173-T248 HydrophobicContact CD1-CG2 4.26Å; Y173-T248 WeakPolarHBondContact O-CG2 3.11Å; F174-T248 HydrophobicContact CD1-CG2 3.93Å; F174-T248 HydrophobicContact CE1-CG2 4.43Å
249	F	91.2	Very high	94.8	Very high	13 Å²	13	14.9 Å²	14.9	6%	0.057	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.7	48.3	177.4	-155.7	-100.7	0	0	0	110.8	R99 E109 K112 D113 D247 R338	R99-F249 HydrophobicContact CB-CE2 4.24Å; R99-F249 VanDerWaalsContact CZ-CD2 3.49Å; R99-F249 VanDerWaalsContact NE-CD2 3.31Å; R99-F249 VanDerWaalsContact NH2-CE1 3.29Å; R99-F249 VanDerWaalsContact NH2-CG 3.26Å; R99-F249 PolarHBondContact NH2-O 3.13Å; E109-F249 HydrophobicContact CB-CD1 4.04Å; E109-F249 HydrophobicContact CB-CD2 3.58Å; E109-F249 HydrophobicContact CB-CE1 4.09Å; E109-F249 HydrophobicContact CB-CE2 3.63Å; E109-F249 HydrophobicContact CB-CG 3.78Å; E109-F249 HydrophobicContact CB-CZ 3.88Å; E109-F249 HydrophobicContact CG-CB 3.79Å; E109-F249 HydrophobicContact CG-CD1 3.8Å; E109-F249 HydrophobicContact CG-CD2 3.82Å; E109-F249 HydrophobicContact CG-CE1 4.32Å; E109-F249 HydrophobicContact CG-CE2 4.32Å; E109-F249 HydrophobicContact CG-CG 3.51Å; E109-F249 WeakPolarHBondContact O-CZ 3.42Å; K112-F249 HydrophobicContact CB-CE1 4.28Å; K112-F249 HydrophobicContact CB-CZ 4.4Å; K112-F249 HydrophobicContact CD-CE1 4.11Å; D113-F249 VanDerWaalsContact OD1-CZ 3.28Å; D113-F249 WeakPolarHBondContact OD1-CZ 3.03Å; D113-F249 VanDerWaalsContact OD2-CE2 3.27Å; D113-F249 WeakPolarHBondContact OD2-CE2 3.37Å; D247-F249 PolarHBondContact O-N 3.25Å; D247-F249 VanDerWaalsContact O-N 3.09Å; D247-F249 VanDerWaalsContact OD1-C 3.3Å; D247-F249 WeakPolarHBondContact OD1-CA 3.41Å; D247-F249 PolarHBondContact OD1-N 3.09Å; F249-R338 PolarHBondContact O-NH2 3.25Å
250	L	96.1	Very high	94.9	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.079	C	C	.	.			trans	-145.3	117.1	174.3	176.7	59.7	0	0	0	109.9	L222 G225 T226 F227 D247 D254 L335 R338 T339	L222-L250 HydrophobicContact CD1-CG 4.47Å; G225-L250 CarbonylContact C-O 3.52Å; G225-L250 CarbonylContact O-C 3.56Å; G225-L250 PolarHBondContact O-N 3.07Å; T226-L250 CarbonylContact C-O 3.55Å; T226-L250 WeakPolarHBondContact CA-O 3.36Å; T226-L250 PolarHBondContact N-O 2.89Å; F227-L250 HydrophobicContact CB-CB 4.26Å; F227-L250 HydrophobicContact CB-CD2 4.13Å; F227-L250 HydrophobicContact CB-CG 4.25Å; F227-L250 HydrophobicContact CD1-CD2 4.31Å; F227-L250 HydrophobicContact CG-CD2 4.45Å; F227-L250 PolarHBondContact N-O 3Å; F227-L250 VanDerWaalsContact N-O 3.13Å; D247-L250 HydrophobicContact CB-CB 3.8Å; D247-L250 HydrophobicContact CB-CD2 4.24Å; L250-D254 WeakPolarHBondContact CA-OD2 3.42Å; L250-L335 HydrophobicContact CD1-CB 4.15Å; L250-L335 HydrophobicContact CD1-CD2 4.15Å; L250-R338 HydrophobicContact CD2-CB 3.82Å; L250-T339 HydrophobicContact CD2-CG2 3.78Å
251	G	97.5	Very high	95	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.083	C	C	.	.	S	Bend	trans	-173.6	-167	174.6	0	0	0	0	0	113.4	G223 G224 E253 D254 F255	G223-G251 WeakPolarHBondContact O-CA 3.49Å; G224-G251 CarbonylContact O-C 3.58Å; G251-E253 PolarHBondContact O-N 3.12Å; G251-E253 VanDerWaalsContact O-N 3.12Å; G251-D254 PolarHBondContact N-OD2 3.14Å; G251-D254 WeakPolarHBondContact O-CB 3.34Å; G251-D254 PolarHBondContact O-N 2.83Å; G251-F255 VanDerWaalsContact O-CD2 3.32Å; G251-F255 WeakPolarHBondContact O-CD2 3.43Å
252	G	97.7	Very high	95.1	Very high	3 Å²	3	18 Å²	18	3%	0.031	9%	0.087	C	C	.	.	H	α-helix	trans	-50.7	-33.8	-177.1	0	0	0	0	0	115.8	G223 G224 D254 F255 D256 K293	G223-G252 PolarHBondContact O-N 3.18Å; G224-G252 PolarHBondContact O-N 3.03Å; G252-D254 VanDerWaalsContact C-N 3.3Å; G252-D254 PolarHBondContact O-N 3.09Å; G252-F255 WeakPolarHBondContact O-CB 3.36Å; G252-F255 PolarHBondContact O-N 3.16Å; G252-D256 VanDerWaalsContact O-CG 3.29Å; G252-D256 PolarHBondContact O-N 2.99Å; G252-K293 PolarHBondContact O-NZ 2.84Å
253	E	96.1	Very high	95.2	Very high	20 Å²	20	15.3 Å²	15.3	9%	0.093	8%	0.075	C	C	.	.	H	α-helix	trans	-61.8	-35.9	174.8	-74.3	-67.9	127.2	0	0	112.1	A96 G224 G251 F255 D256 N257 K286	A96-E253 HydrophobicContact CB-CG 3.92Å; G224-E253 WeakPolarHBondContact O-CG 3.33Å; G224-E253 PolarHBondContact O-N 3.13Å; G251-E253 PolarHBondContact O-N 3.12Å; G251-E253 VanDerWaalsContact O-N 3.12Å; E253-F255 VanDerWaalsContact C-N 3.33Å; E253-D256 PolarHBondContact O-N 2.89Å; E253-N257 VanDerWaalsContact O-CB 3.31Å; E253-N257 WeakPolarHBondContact O-CB 3.22Å; E253-N257 PolarHBondContact O-N 3.44Å; E253-N257 PolarHBondContact O-ND2 3.08Å; E253-K286 IonicContact OE2-NZ 3.2Å; E253-K286 PolarHBondContact OE2-NZ 3.08Å
254	D	97	Very high	95.2	Very high	18 Å²	18	16.3 Å²	16.3	10%	0.096	8%	0.08	C	C	.	.	H	α-helix	trans	-70.1	-34.5	178.5	-55.8	-64.8	0	0	0	111.2	R99 L250 G251 G252 N257 E258 L335	R99-D254 IonicContact CZ-OD1 2.94Å; R99-D254 IonicContact CZ-OD2 2.74Å; R99-D254 IonicContact NH1-OD1 2.66Å; R99-D254 PolarHBondContact NH1-OD1 3.03Å; R99-D254 VanDerWaalsContact NH2-CG 3.3Å; R99-D254 IonicContact NH2-OD1 2.85Å; R99-D254 PolarHBondContact NH2-OD1 2.98Å; R99-D254 IonicContact NH2-OD2 3Å; R99-D254 PolarHBondContact NH2-OD2 2.87Å; L250-D254 WeakPolarHBondContact CA-OD2 3.42Å; G251-D254 PolarHBondContact N-OD2 3.14Å; G251-D254 WeakPolarHBondContact O-CB 3.34Å; G251-D254 PolarHBondContact O-N 2.83Å; G252-D254 VanDerWaalsContact C-N 3.3Å; G252-D254 PolarHBondContact O-N 3.09Å; D254-N257 PolarHBondContact O-N 3.24Å; D254-E258 PolarHBondContact O-N 2.93Å; D254-L335 HydrophobicContact CB-CD1 3.86Å; D254-L335 HydrophobicContact CB-CD2 4.31Å
255	F	98.2	Very high	95.3	Very high	1 Å²	1	23 Å²	23	0%	0.004	11%	0.109	C	C	.	.	H	α-helix	trans	-66.6	-44	174.5	-72.3	-120.2	0	0	0	110.4	L222 G251 G252 E253 N257 E258 L259 K293 V332 L335 I336 M366 M369	L222-F255 HydrophobicContact CD2-CZ 4.41Å; G251-F255 VanDerWaalsContact O-CD2 3.32Å; G251-F255 WeakPolarHBondContact O-CD2 3.43Å; G252-F255 WeakPolarHBondContact O-CB 3.36Å; G252-F255 PolarHBondContact O-N 3.16Å; E253-F255 VanDerWaalsContact C-N 3.33Å; F255-N257 VanDerWaalsContact C-N 3.32Å; F255-N257 PolarHBondContact O-N 3.3Å; F255-E258 PolarHBondContact O-N 3.13Å; F255-L259 PolarHBondContact O-N 3.32Å; F255-L259 VanDerWaalsContact O-N 3.16Å; F255-K293 HydrophobicContact CB-CD 3.89Å; F255-V332 HydrophobicContact CB-CG1 4.23Å; F255-V332 HydrophobicContact CD1-CB 3.71Å; F255-V332 HydrophobicContact CD1-CG1 3.8Å; F255-V332 HydrophobicContact CD1-CG2 3.72Å; F255-V332 HydrophobicContact CE1-CB 3.91Å; F255-V332 HydrophobicContact CE1-CG1 4.5Å; F255-V332 HydrophobicContact CE1-CG2 3.7Å; F255-V332 HydrophobicContact CG-CB 4.37Å; F255-V332 HydrophobicContact CG-CG1 4.19Å; F255-L335 HydrophobicContact CD2-CB 4.38Å; F255-L335 HydrophobicContact CD2-CD1 3.75Å; F255-L335 HydrophobicContact CE2-CB 3.84Å; F255-L335 HydrophobicContact CE2-CD1 4.07Å; F255-L335 HydrophobicContact CG-CD1 4.13Å; F255-L335 HydrophobicContact CZ-CB 4.03Å; F255-I336 HydrophobicContact CE1-CD1 4.33Å; F255-I336 HydrophobicContact CE1-CG1 3.89Å; F255-I336 HydrophobicContact CZ-CG1 3.88Å; F255-M366 HydrophobicContact CB-SD 4.18Å; F255-M366 HydrophobicContact CD1-CE 3.9Å; F255-M366 HydrophobicContact CD1-SD 3.89Å; F255-M366 HydrophobicContact CD2-CG 4.35Å; F255-M366 HydrophobicContact CD2-SD 4.16Å; F255-M366 HydrophobicContact CE1-CE 4.13Å; F255-M366 HydrophobicContact CE1-CG 4.46Å; F255-M366 HydrophobicContact CE1-SD 4.3Å; F255-M366 HydrophobicContact CE2-CG 4.23Å; F255-M366 HydrophobicContact CG-CE 4.44Å; F255-M366 HydrophobicContact CG-SD 3.82Å; F255-M366 HydrophobicContact CZ-CG 4.29Å; F255-M369 HydrophobicContact CD1-SD 4.14Å; F255-M369 HydrophobicContact CE1-SD 3.8Å
256	D	97.1	Very high	95.5	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.021	12%	0.115	C	C	.	.	H	α-helix	trans	-62.4	-41.3	175.6	-65.4	-28.6	0	0	0	111.1	G252 E253 L259 L260 E290 K293	G252-D256 VanDerWaalsContact O-CG 3.29Å; G252-D256 PolarHBondContact O-N 2.99Å; E253-D256 PolarHBondContact O-N 2.89Å; D256-L259 PolarHBondContact O-N 2.95Å; D256-L260 WeakPolarHBondContact O-CB 3.13Å; D256-L260 PolarHBondContact O-N 3.41Å; D256-E290 WeakPolarHBondContact OD1-CA 3.42Å; D256-K293 WeakPolarHBondContact OD1-CD 3.49Å; D256-K293 WeakPolarHBondContact OD1-CE 3.43Å; D256-K293 IonicContact OD1-NZ 3.24Å; D256-K293 PolarHBondContact OD1-NZ 3.29Å; D256-K293 IonicContact OD2-NZ 2.7Å; D256-K293 PolarHBondContact OD2-NZ 3.18Å
257	N	95	Very high	95.7	Very high	5 Å²	5	24 Å²	24	3%	0.027	11%	0.111	C	C	.	.	H	α-helix	trans	-65.9	-37.1	178.7	-74.9	-35.5	0	0	0	113.1	E253 D254 F255 R261	E253-N257 VanDerWaalsContact O-CB 3.31Å; E253-N257 WeakPolarHBondContact O-CB 3.22Å; E253-N257 PolarHBondContact O-N 3.44Å; E253-N257 PolarHBondContact O-ND2 3.08Å; D254-N257 PolarHBondContact O-N 3.24Å; F255-N257 VanDerWaalsContact C-N 3.32Å; F255-N257 PolarHBondContact O-N 3.3Å; N257-R261 WeakPolarHBondContact O-CB 3.45Å; N257-R261 WeakPolarHBondContact O-CG 3.37Å; N257-R261 PolarHBondContact O-N 2.97Å
258	E	96.8	Very high	95.9	Very high	54 Å²	54	26.4 Å²	26.4	25%	0.252	12%	0.121	S	C	.	.	H	α-helix	trans	-65.4	-44.2	173.4	-72	-58	160.9	0	0	111.7	D254 F255 R261 F262 V332 L335	D254-E258 PolarHBondContact O-N 2.93Å; F255-E258 PolarHBondContact O-N 3.13Å; E258-R261 PolarHBondContact O-N 3.47Å; E258-R261 IonicContact OE1-CZ 3.53Å; E258-R261 IonicContact OE1-NE 3.56Å; E258-R261 IonicContact OE1-NH2 3.54Å; E258-R261 PolarHBondContact OE1-NH2 2.92Å; E258-R261 IonicContact OE2-CZ 2.77Å; E258-R261 IonicContact OE2-NE 2.57Å; E258-R261 PolarHBondContact OE2-NE 3.16Å; E258-R261 IonicContact OE2-NH2 3.58Å; E258-R261 PolarHBondContact OE2-NH2 3.22Å; E258-F262 PolarHBondContact O-N 3.27Å; E258-F262 VanDerWaalsContact O-N 3.08Å; E258-V332 HydrophobicContact CB-CG1 4.27Å; E258-L335 HydrophobicContact CG-CD1 3.9Å
259	L	97.2	Very high	96.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66.1	-41.7	177.1	-178.8	56.2	0	0	0	111.4	F255 D256 F262 L263 A289 A292 L323 L328 L331	F255-L259 PolarHBondContact O-N 3.32Å; F255-L259 VanDerWaalsContact O-N 3.16Å; D256-L259 PolarHBondContact O-N 2.95Å; L259-F262 HydrophobicContact CD1-CD1 4.14Å; L259-F262 WeakPolarHBondContact O-CB 2.9Å; L259-F262 PolarHBondContact O-N 3.09Å; L259-L263 HydrophobicContact CD1-CD1 4.23Å; L259-L263 HydrophobicContact CD1-CG 4.1Å; L259-L263 HydrophobicContact CG-CD1 3.98Å; L259-L263 HydrophobicContact CG-CG 4.33Å; L259-L263 VanDerWaalsContact O-CG 3.29Å; L259-L263 WeakPolarHBondContact O-CG 3.45Å; L259-L263 PolarHBondContact O-N 2.98Å; L259-A289 HydrophobicContact CB-CB 4.32Å; L259-A289 HydrophobicContact CD2-CB 3.98Å; L259-A289 WeakPolarHBondContact CD2-O 3.33Å; L259-A289 HydrophobicContact CG-CB 3.98Å; L259-A292 HydrophobicContact CD2-CB 4.32Å; L259-L323 HydrophobicContact CD1-CD1 4.19Å; L259-L323 HydrophobicContact CD1-CD2 3.65Å; L259-L323 HydrophobicContact CD2-CD2 3.86Å; L259-L323 HydrophobicContact CG-CD2 4.43Å; L259-L328 HydrophobicContact CD2-CD1 4.4Å; L259-L331 HydrophobicContact CD1-CD1 4.12Å
260	L	95.8	Very high	96.5	Very high	16 Å²	16	39.5 Å²	39.5	8%	0.084	17%	0.173	C	C	.	.	H	α-helix	trans	-57.6	-50.2	175.2	176	59.2	0	0	0	111.4	D256 F262 L263 I264 L282 V285 K286	D256-L260 WeakPolarHBondContact O-CB 3.13Å; D256-L260 PolarHBondContact O-N 3.41Å; L260-F262 VanDerWaalsContact C-N 3.25Å; L260-F262 PolarHBondContact O-N 2.67Å; L260-L263 PolarHBondContact O-N 3.17Å; L260-I264 HydrophobicContact CD1-CD1 3.73Å; L260-I264 HydrophobicContact CD1-CG1 4.06Å; L260-I264 HydrophobicContact CG-CD1 3.74Å; L260-I264 HydrophobicContact CG-CG1 4.49Å; L260-I264 WeakPolarHBondContact O-CD1 3.31Å; L260-I264 VanDerWaalsContact O-CG1 3.25Å; L260-I264 WeakPolarHBondContact O-CG1 3.49Å; L260-I264 PolarHBondContact O-N 3.04Å; L260-L282 HydrophobicContact CD1-CD1 4.07Å; L260-L282 HydrophobicContact CD2-CD1 4.3Å; L260-V285 HydrophobicContact CD1-CB 3.87Å; L260-V285 HydrophobicContact CD1-CG1 3.49Å; L260-V285 VanDerWaalsContact CD1-CG1 3.49Å; L260-K286 HydrophobicContact CD2-CB 4.31Å
261	R	95.7	Very high	96.4	Very high	86 Å²	86	42 Å²	42	33%	0.325	18%	0.184	S	C	.	.	H	α-helix	trans	-57.1	-40.5	176.1	-80.3	-172.2	-74.7	-86.4	8.3	112.2	N257 E258 K265	N257-R261 WeakPolarHBondContact O-CB 3.45Å; N257-R261 WeakPolarHBondContact O-CG 3.37Å; N257-R261 PolarHBondContact O-N 2.97Å; E258-R261 PolarHBondContact O-N 3.47Å; E258-R261 IonicContact OE1-CZ 3.53Å; E258-R261 IonicContact OE1-NE 3.56Å; E258-R261 IonicContact OE1-NH2 3.54Å; E258-R261 PolarHBondContact OE1-NH2 2.92Å; E258-R261 IonicContact OE2-CZ 2.77Å; E258-R261 IonicContact OE2-NE 2.57Å; E258-R261 PolarHBondContact OE2-NE 3.16Å; E258-R261 IonicContact OE2-NH2 3.58Å; E258-R261 PolarHBondContact OE2-NH2 3.22Å; R261-K265 WeakPolarHBondContact O-CG 3.48Å; R261-K265 PolarHBondContact O-N 3.23Å
262	F	97.4	Very high	96.2	Very high	22 Å²	22	45 Å²	45	10%	0.096	22%	0.215	C	C	.	.	H	α-helix	trans	-64.3	-50.7	176	172.3	-104.7	0	0	0	111.4	E258 L259 L260 I264 K265 E266 F321 L323 K327 L331	E258-F262 PolarHBondContact O-N 3.27Å; E258-F262 VanDerWaalsContact O-N 3.08Å; L259-F262 HydrophobicContact CD1-CD1 4.14Å; L259-F262 WeakPolarHBondContact O-CB 2.9Å; L259-F262 PolarHBondContact O-N 3.09Å; L260-F262 VanDerWaalsContact C-N 3.25Å; L260-F262 PolarHBondContact O-N 2.67Å; F262-I264 VanDerWaalsContact C-N 3.35Å; F262-I264 PolarHBondContact O-N 3.09Å; F262-K265 PolarHBondContact O-N 2.93Å; F262-K265 VanDerWaalsContact O-N 3.15Å; F262-E266 HydrophobicContact CD1-CG 4.35Å; F262-E266 HydrophobicContact CD2-CG 4.12Å; F262-E266 HydrophobicContact CE1-CG 3.89Å; F262-E266 HydrophobicContact CE2-CG 3.62Å; F262-E266 VanDerWaalsContact CE2-OE1 3.31Å; F262-E266 WeakPolarHBondContact CE2-OE1 3.38Å; F262-E266 HydrophobicContact CG-CG 4.46Å; F262-E266 HydrophobicContact CZ-CG 3.49Å; F262-E266 VanDerWaalsContact CZ-CG 3.49Å; F262-E266 WeakPolarHBondContact O-CG 3.44Å; F262-E266 PolarHBondContact O-N 2.94Å; F262-F321 AromaticContact CE1-CE1 3.68Å; F262-F321 HydrophobicContact CE1-CE1 3.68Å; F262-F321 HydrophobicContact CE1-CE2 4.33Å; F262-F321 AromaticContact CE1-CZ 3.53Å; F262-F321 HydrophobicContact CE1-CZ 3.53Å; F262-F321 HydrophobicContact CZ-CE1 4.2Å; F262-F321 HydrophobicContact CZ-CE2 4.29Å; F262-F321 AromaticContact CZ-CZ 3.6Å; F262-F321 HydrophobicContact CZ-CZ 3.6Å; F262-L323 HydrophobicContact CE1-CD1 4.32Å; F262-K327 VanDerWaalsContact CE2-CE 3.45Å; F262-K327 VanDerWaalsContact CZ-CE 3.45Å; F262-K327 HydrophobicContact CZ-CG 4.49Å; F262-L331 HydrophobicContact CB-CD1 3.83Å; F262-L331 HydrophobicContact CB-CD2 4.12Å; F262-L331 HydrophobicContact CD1-CD1 3.72Å; F262-L331 HydrophobicContact CD2-CD1 4.27Å; F262-L331 HydrophobicContact CD2-CD2 3.99Å; F262-L331 HydrophobicContact CE1-CD1 4.37Å; F262-L331 HydrophobicContact CG-CD1 3.65Å; F262-L331 HydrophobicContact CG-CD2 4.07Å
263	L	97.3	Very high	96	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-61.9	-39.4	-179.2	-66.8	170.9	0	0	0	112.9	L259 L260 E266 F267 V285 A289 I304 M319 F321	L259-L263 HydrophobicContact CD1-CD1 4.23Å; L259-L263 HydrophobicContact CD1-CG 4.1Å; L259-L263 HydrophobicContact CG-CD1 3.98Å; L259-L263 HydrophobicContact CG-CG 4.33Å; L259-L263 VanDerWaalsContact O-CG 3.29Å; L259-L263 WeakPolarHBondContact O-CG 3.45Å; L259-L263 PolarHBondContact O-N 2.98Å; L260-L263 PolarHBondContact O-N 3.17Å; L263-E266 PolarHBondContact O-N 3.17Å; L263-F267 WeakPolarHBondContact O-CB 3.34Å; L263-F267 PolarHBondContact O-N 3.5Å; L263-V285 HydrophobicContact CB-CG1 3.85Å; L263-V285 HydrophobicContact CD1-CG1 4.03Å; L263-A289 HydrophobicContact CD1-CB 4Å; L263-I304 HydrophobicContact CD1-CD1 3.76Å; L263-I304 HydrophobicContact CD2-CD1 3.58Å; L263-I304 HydrophobicContact CG-CD1 4.3Å; L263-M319 HydrophobicContact CB-CE 4.16Å; L263-M319 HydrophobicContact CB-SD 4.47Å; L263-M319 HydrophobicContact CD2-SD 4.47Å; L263-F321 HydrophobicContact CD2-CD1 4.16Å; L263-F321 HydrophobicContact CD2-CG 4.37Å
264	I	96.2	Very high	95.9	Very high	20 Å²	20	47.7 Å²	47.7	10%	0.103	23%	0.229	C	C	.	.	H	α-helix	trans	-60.2	-47.1	174.7	-69.3	162.8	0	0	0	110.5	L260 F262 F267 Q268 V275 T276 L282	L260-I264 HydrophobicContact CD1-CD1 3.73Å; L260-I264 HydrophobicContact CD1-CG1 4.06Å; L260-I264 HydrophobicContact CG-CD1 3.74Å; L260-I264 HydrophobicContact CG-CG1 4.49Å; L260-I264 WeakPolarHBondContact O-CD1 3.31Å; L260-I264 VanDerWaalsContact O-CG1 3.25Å; L260-I264 WeakPolarHBondContact O-CG1 3.49Å; L260-I264 PolarHBondContact O-N 3.04Å; F262-I264 VanDerWaalsContact C-N 3.35Å; F262-I264 PolarHBondContact O-N 3.09Å; I264-F267 PolarHBondContact O-N 3.44Å; I264-Q268 WeakPolarHBondContact O-CB 3.4Å; I264-Q268 PolarHBondContact O-N 2.97Å; I264-V275 HydrophobicContact CB-CG2 4.41Å; I264-V275 HydrophobicContact CG1-CG2 3.92Å; I264-V275 HydrophobicContact CG2-CG2 4.22Å; I264-T276 HydrophobicContact CD1-CG2 3.9Å; I264-T276 HydrophobicContact CG1-CG2 4.5Å; I264-T276 HydrophobicContact CG2-CG2 3.84Å; I264-L282 HydrophobicContact CD1-CD1 3.76Å
265	K	97	Very high	95.7	Very high	142 Å²	142	46.8 Å²	46.8	62%	0.617	23%	0.225	S	C	*	.	H	α-helix	trans	-64.2	-40.7	178.9	-74.6	176.4	-179.9	-179.9	0	112	R261 F262 Q268 R269	R261-K265 WeakPolarHBondContact O-CG 3.48Å; R261-K265 PolarHBondContact O-N 3.23Å; F262-K265 PolarHBondContact O-N 2.93Å; F262-K265 VanDerWaalsContact O-N 3.15Å; K265-Q268 PolarHBondContact O-N 3.43Å; K265-R269 VanDerWaalsContact O-CB 3.24Å; K265-R269 WeakPolarHBondContact O-CB 3.45Å; K265-R269 PolarHBondContact O-N 2.88Å
266	E	96.3	Very high	95.4	Very high	36 Å²	36	50 Å²	50	17%	0.168	24%	0.244	C	C	.	.	H	α-helix	trans	-63.9	-44.1	176.4	-70	-57	143.1	0	0	111.5	F262 L263 Q268 R269 E270 F321	F262-E266 HydrophobicContact CD1-CG 4.35Å; F262-E266 HydrophobicContact CD2-CG 4.12Å; F262-E266 HydrophobicContact CE1-CG 3.89Å; F262-E266 HydrophobicContact CE2-CG 3.62Å; F262-E266 VanDerWaalsContact CE2-OE1 3.31Å; F262-E266 WeakPolarHBondContact CE2-OE1 3.38Å; F262-E266 HydrophobicContact CG-CG 4.46Å; F262-E266 HydrophobicContact CZ-CG 3.49Å; F262-E266 VanDerWaalsContact CZ-CG 3.49Å; F262-E266 WeakPolarHBondContact O-CG 3.44Å; F262-E266 PolarHBondContact O-N 2.94Å; L263-E266 PolarHBondContact O-N 3.17Å; E266-Q268 PolarHBondContact O-N 2.95Å; E266-R269 WeakPolarHBondContact O-CB 3.43Å; E266-R269 PolarHBondContact O-N 3.03Å; E266-R269 IonicContact OE1-NE 3.6Å; E266-R269 IonicContact OE2-CZ 3.8Å; E266-R269 IonicContact OE2-NE 2.67Å; E266-R269 PolarHBondContact OE2-NE 3.46Å; E266-R269 IonicContact OE2-NH2 3.93Å; E266-R269 PolarHBondContact OE2-NH2 3.41Å; E266-E270 WeakPolarHBondContact O-CB 3.21Å; E266-E270 PolarHBondContact O-N 2.91Å; E266-F321 HydrophobicContact CB-CD2 4.42Å; E266-F321 HydrophobicContact CB-CE2 4.26Å; E266-F321 HydrophobicContact CG-CE2 3.93Å; E266-F321 HydrophobicContact CG-CZ 4.42Å
267	F	96.2	Very high	95	Very high	3 Å²	3	57.8 Å²	57.8	1%	0.013	28%	0.278	C	S	.	.	H	α-helix	trans	-63.9	-42.6	176.2	-166	-94.8	0	0	0	112.6	L263 I264 R269 E270 H271 I273 V275 L309 T310 K317 M319	L263-F267 WeakPolarHBondContact O-CB 3.34Å; L263-F267 PolarHBondContact O-N 3.5Å; I264-F267 PolarHBondContact O-N 3.44Å; F267-R269 VanDerWaalsContact C-N 3.3Å; F267-R269 PolarHBondContact O-N 3.49Å; F267-E270 PolarHBondContact O-N 3.15Å; F267-H271 AromaticContact CD2-CD2 3.57Å; F267-H271 HydrophobicContact CE1-CB 4.35Å; F267-H271 AromaticContact CE1-CD2 3.98Å; F267-H271 AromaticContact CE2-CD2 3.27Å; F267-H271 WeakPolarHBondContact CE2-CD2 3.48Å; F267-H271 AromaticContact CE2-NE2 3.75Å; F267-H271 AromaticContact CZ-CD2 3.51Å; F267-H271 PolarHBondContact O-N 2.92Å; F267-I273 HydrophobicContact CE1-CB 4.08Å; F267-I273 HydrophobicContact CE1-CG2 4.4Å; F267-V275 HydrophobicContact CD1-CG1 3.39Å; F267-V275 HydrophobicContact CE1-CG1 3.4Å; F267-V275 HydrophobicContact CG-CG1 4.24Å; F267-V275 HydrophobicContact CZ-CG1 4.28Å; F267-L309 HydrophobicContact CD2-CD2 4.03Å; F267-L309 HydrophobicContact CE2-CD2 3.77Å; F267-L309 HydrophobicContact CZ-CD2 4.06Å; F267-T310 HydrophobicContact CE1-CG2 3.88Å; F267-T310 HydrophobicContact CZ-CG2 3.92Å; F267-K317 HydrophobicContact CZ-CB 3.86Å; F267-M319 HydrophobicContact CB-CE 3.64Å; F267-M319 HydrophobicContact CD2-CB 3.82Å; F267-M319 HydrophobicContact CD2-CE 3.72Å; F267-M319 HydrophobicContact CD2-CG 4.22Å; F267-M319 HydrophobicContact CE2-CB 3.95Å; F267-M319 HydrophobicContact CG-CE 3.97Å
268	Q	95.9	Very high	94.8	Very high	91 Å²	91	59.7 Å²	59.7	43%	0.425	29%	0.288	S	S	.	.	H	α-helix	trans	-64.4	-36.9	175.8	-171.8	177.4	20.5	0	0	111.4	I264 K265 E266 G272 I273	I264-Q268 WeakPolarHBondContact O-CB 3.4Å; I264-Q268 PolarHBondContact O-N 2.97Å; K265-Q268 PolarHBondContact O-N 3.43Å; E266-Q268 PolarHBondContact O-N 2.95Å; Q268-G272 WeakPolarHBondContact O-CA 3.32Å; Q268-G272 PolarHBondContact O-N 3.34Å; Q268-I273 WeakPolarHBondContact CA-O 3.39Å
269	R	95.7	Very high	94.4	Very high	190 Å²	190	61 Å²	61	72%	0.717	30%	0.301	S	S	*	.	H	α-helix	trans	-65.8	-40.6	175.3	-176.6	177.6	74	103.7	1.8	112.1	K265 E266 F267	K265-R269 VanDerWaalsContact O-CB 3.24Å; K265-R269 WeakPolarHBondContact O-CB 3.45Å; K265-R269 PolarHBondContact O-N 2.88Å; E266-R269 WeakPolarHBondContact O-CB 3.43Å; E266-R269 PolarHBondContact O-N 3.03Å; E266-R269 IonicContact OE1-NE 3.6Å; E266-R269 IonicContact OE2-CZ 3.8Å; E266-R269 IonicContact OE2-NE 2.67Å; E266-R269 PolarHBondContact OE2-NE 3.46Å; E266-R269 IonicContact OE2-NH2 3.93Å; E266-R269 PolarHBondContact OE2-NH2 3.41Å; F267-R269 VanDerWaalsContact C-N 3.3Å; F267-R269 PolarHBondContact O-N 3.49Å
270	E	94.4	Very high	94.1	Very high	118 Å²	118	65.4 Å²	65.4	55%	0.551	32%	0.323	S	S	*	.	H	α-helix	trans	-78.9	-41.4	-177	-171.2	175.8	166.8	0	0	113.2	E266 F267	E266-E270 WeakPolarHBondContact O-CB 3.21Å; E266-E270 PolarHBondContact O-N 2.91Å; F267-E270 PolarHBondContact O-N 3.15Å
271	H	93.7	Very high	94	Very high	52 Å²	52	64.7 Å²	64.7	24%	0.241	32%	0.319	C	S	.	.	H	α-helix	trans	-114.3	-8.9	-172.9	-59.7	-56.7	0	0	0	114.7	F267 I273 H318	F267-H271 AromaticContact CD2-CD2 3.57Å; F267-H271 HydrophobicContact CE1-CB 4.35Å; F267-H271 AromaticContact CE1-CD2 3.98Å; F267-H271 AromaticContact CE2-CD2 3.27Å; F267-H271 WeakPolarHBondContact CE2-CD2 3.48Å; F267-H271 AromaticContact CE2-NE2 3.75Å; F267-H271 AromaticContact CZ-CD2 3.51Å; F267-H271 PolarHBondContact O-N 2.92Å; H271-I273 HydrophobicContact CB-CD1 4.23Å; H271-I273 HydrophobicContact CB-CG1 4.35Å; H271-I273 PolarHBondContact O-N 2.99Å; H271-H318 PolarHBondContact NE2-O 3.4Å
272	G	94.1	Very high	93.8	Very high	63 Å²	63	62.6 Å²	62.6	65%	0.649	31%	0.314	S	S	*	.	S	Bend	trans	72.4	12.9	-175.6	0	0	0	0	0	114.3	Q268	Q268-G272 WeakPolarHBondContact O-CA 3.32Å; Q268-G272 PolarHBondContact O-N 3.34Å
273	I	93.6	Very high	93.6	Very high	34 Å²	34	63 Å²	63	17%	0.174	32%	0.316	C	S	.	.			trans	-110.5	129.5	-174.5	-58.4	167.7	0	0	0	110.2	F267 Q268 H271 V275 T310 D312 K317	F267-I273 HydrophobicContact CE1-CB 4.08Å; F267-I273 HydrophobicContact CE1-CG2 4.4Å; Q268-I273 WeakPolarHBondContact CA-O 3.39Å; H271-I273 HydrophobicContact CB-CD1 4.23Å; H271-I273 HydrophobicContact CB-CG1 4.35Å; H271-I273 PolarHBondContact O-N 2.99Å; I273-V275 PolarHBondContact O-N 3.06Å; I273-T310 HydrophobicContact CD1-CG2 4.13Å; I273-T310 HydrophobicContact CG2-CG2 4.04Å; I273-D312 HydrophobicContact CD1-CB 3.85Å; I273-K317 HydrophobicContact CD1-CG 3.76Å
274	D	93.9	Very high	93.5	Very high	45 Å²	45	65.5 Å²	65.5	24%	0.241	33%	0.326	C	S	.	.			trans	-89.9	100.7	172.9	178.9	8.5	0	0	0	110.3	T276 K277	D274-T276 PolarHBondContact O-N 3.17Å; D274-T276 WeakPolarHBondContact OD1-CB 3.44Å; D274-T276 WeakPolarHBondContact OD1-CG2 3.41Å; D274-T276 PolarHBondContact OD1-N 3.18Å; D274-T276 PolarHBondContact OD1-OG1 3.32Å; D274-T276 PolarHBondContact OD2-OG1 3.11Å; D274-K277 PolarHBondContact O-N 2.93Å; D274-K277 WeakPolarHBondContact OD2-CE 3.15Å
275	V	93	Very high	93.5	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-71.2	-9.6	-179.2	-65.9	0	0	0	0	113.7	I264 F267 I273 K277 D278 A281 L309 T310	I264-V275 HydrophobicContact CB-CG2 4.41Å; I264-V275 HydrophobicContact CG1-CG2 3.92Å; I264-V275 HydrophobicContact CG2-CG2 4.22Å; F267-V275 HydrophobicContact CD1-CG1 3.39Å; F267-V275 HydrophobicContact CE1-CG1 3.4Å; F267-V275 HydrophobicContact CG-CG1 4.24Å; F267-V275 HydrophobicContact CZ-CG1 4.28Å; I273-V275 PolarHBondContact O-N 3.06Å; V275-K277 PolarHBondContact O-N 3.34Å; V275-D278 PolarHBondContact O-N 2.87Å; V275-D278 VanDerWaalsContact O-N 3.11Å; V275-A281 HydrophobicContact CB-CB 4.35Å; V275-L309 HydrophobicContact CG1-CD2 4.31Å; V275-T310 HydrophobicContact CG1-CG2 4.38Å
276	T	91	Very high	93.3	Very high	67 Å²	67	59.5 Å²	59.5	41%	0.411	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-66.7	-16.9	176.9	67.2	0	0	0	0	112.8	I264 D274 D278	I264-T276 HydrophobicContact CD1-CG2 3.9Å; I264-T276 HydrophobicContact CG1-CG2 4.5Å; I264-T276 HydrophobicContact CG2-CG2 3.84Å; D274-T276 PolarHBondContact O-N 3.17Å; D274-T276 WeakPolarHBondContact OD1-CB 3.44Å; D274-T276 WeakPolarHBondContact OD1-CG2 3.41Å; D274-T276 PolarHBondContact OD1-N 3.18Å; D274-T276 PolarHBondContact OD1-OG1 3.32Å; D274-T276 PolarHBondContact OD2-OG1 3.11Å; T276-D278 VanDerWaalsContact C-N 3.33Å
277	K	89.6	Confident	93.2	Very high	169 Å²	169	61 Å²	61	74%	0.735	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-82.2	-11.1	176.7	-60.1	-179	-177.1	177.1	0	113.5	D274 V275	D274-K277 PolarHBondContact O-N 2.93Å; D274-K277 WeakPolarHBondContact OD2-CE 3.15Å; V275-K277 PolarHBondContact O-N 3.34Å
278	D	90.4	Very high	93.2	Very high	44 Å²	44	61.7 Å²	61.7	24%	0.235	31%	0.312	C	S	.	.			trans	-113.3	100.5	178.6	-179.8	-19.2	0	0	0	108.7	V275 T276 M280 A281 L282	V275-D278 PolarHBondContact O-N 2.87Å; V275-D278 VanDerWaalsContact O-N 3.11Å; T276-D278 VanDerWaalsContact C-N 3.33Å; D278-M280 PolarHBondContact O-N 3.12Å; D278-M280 PolarHBondContact OD1-N 3.08Å; D278-M280 VanDerWaalsContact OD1-N 3.12Å; D278-A281 HydrophobicContact CB-CB 3.76Å; D278-A281 VanDerWaalsContact CG-CB 3.47Å; D278-A281 PolarHBondContact O-N 3.21Å; D278-A281 PolarHBondContact OD1-N 3.43Å; D278-L282 WeakPolarHBondContact O-CB 3.16Å; D278-L282 PolarHBondContact O-N 3.27Å
279	P	88.2	Confident	93.3	Very high	81 Å²	81	57.4 Å²	57.4	53%	0.526	29%	0.292	S	S	.	.	H	α-helix	trans	-58.6	-32.5	-176.1	-26.6	35.1	0	0	0	114	Q283	P279-Q283 WeakPolarHBondContact O-CB 3.34Å; P279-Q283 PolarHBondContact O-N 3.23Å; P279-Q283 VanDerWaalsContact O-N 3.1Å
280	M	90.4	Very high	93.3	Very high	94 Å²	94	50.1 Å²	50.1	46%	0.463	27%	0.266	S	S	.	.	H	α-helix	trans	-74	-44.8	179.3	-175.4	178.3	66.8	0	0	110.2	D278 Q283 R284	D278-M280 PolarHBondContact O-N 3.12Å; D278-M280 PolarHBondContact OD1-N 3.08Å; D278-M280 VanDerWaalsContact OD1-N 3.12Å; M280-Q283 PolarHBondContact O-N 3.09Å; M280-R284 WeakPolarHBondContact O-CG 3.37Å; M280-R284 PolarHBondContact O-N 2.98Å; M280-R284 VanDerWaalsContact O-N 3.09Å
281	A	93	Very high	93.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.3	-46.6	174.4	0	0	0	0	0	111.2	V275 D278 Q283 R284 V285 L309	V275-A281 HydrophobicContact CB-CB 4.35Å; D278-A281 HydrophobicContact CB-CB 3.76Å; D278-A281 VanDerWaalsContact CG-CB 3.47Å; D278-A281 PolarHBondContact O-N 3.21Å; D278-A281 PolarHBondContact OD1-N 3.43Å; A281-Q283 VanDerWaalsContact C-N 3.33Å; A281-Q283 PolarHBondContact O-N 2.98Å; A281-R284 PolarHBondContact O-N 3.13Å; A281-R284 VanDerWaalsContact O-N 3.17Å; A281-V285 WeakPolarHBondContact O-CG2 3.29Å; A281-V285 PolarHBondContact O-N 2.85Å; A281-L309 HydrophobicContact CB-CD1 3.87Å; A281-L309 HydrophobicContact CB-CG 4.18Å; A281-L309 WeakPolarHBondContact CB-O 3.46Å
282	L	92.8	Very high	93.7	Very high	42 Å²	42	48.5 Å²	48.5	22%	0.22	26%	0.257	C	S	.	.	H	α-helix	trans	-57.6	-45.2	178.8	-178.7	62.4	0	0	0	111.9	L260 I264 D278 R284 V285 K286	L260-L282 HydrophobicContact CD1-CD1 4.07Å; L260-L282 HydrophobicContact CD2-CD1 4.3Å; I264-L282 HydrophobicContact CD1-CD1 3.76Å; D278-L282 WeakPolarHBondContact O-CB 3.16Å; D278-L282 PolarHBondContact O-N 3.27Å; L282-R284 VanDerWaalsContact C-N 3.35Å; L282-R284 PolarHBondContact O-N 3.12Å; L282-V285 PolarHBondContact O-N 3.4Å; L282-K286 PolarHBondContact O-N 2.92Å
283	Q	92.8	Very high	93.9	Very high	31 Å²	31	46.2 Å²	46.2	15%	0.145	23%	0.229	C	C	.	.	H	α-helix	trans	-63	-40.4	178	-176.3	57.3	35	0	0	112	P279 M280 A281 V285 K286 E287	P279-Q283 WeakPolarHBondContact O-CB 3.34Å; P279-Q283 PolarHBondContact O-N 3.23Å; P279-Q283 VanDerWaalsContact O-N 3.1Å; M280-Q283 PolarHBondContact O-N 3.09Å; A281-Q283 VanDerWaalsContact C-N 3.33Å; A281-Q283 PolarHBondContact O-N 2.98Å; Q283-V285 PolarHBondContact O-N 2.98Å; Q283-K286 WeakPolarHBondContact O-CB 3.25Å; Q283-K286 PolarHBondContact O-N 2.81Å; Q283-E287 PolarHBondContact NE2-OE1 3.31Å; Q283-E287 VanDerWaalsContact NE2-OE1 3.13Å; Q283-E287 PolarHBondContact O-N 3.28Å
284	R	94.8	Very high	94.1	Very high	54 Å²	54	49.2 Å²	49.2	20%	0.204	24%	0.244	C	C	.	.	H	α-helix	trans	-63.7	-39.8	175.1	-69.2	177	66.4	-160.1	-1.8	112.7	V87 M280 A281 L282 K286 A288 P307 Y308 L309	V87-R284 HydrophobicContact CG2-CG 3.32Å; M280-R284 WeakPolarHBondContact O-CG 3.37Å; M280-R284 PolarHBondContact O-N 2.98Å; M280-R284 VanDerWaalsContact O-N 3.09Å; A281-R284 PolarHBondContact O-N 3.13Å; A281-R284 VanDerWaalsContact O-N 3.17Å; L282-R284 VanDerWaalsContact C-N 3.35Å; L282-R284 PolarHBondContact O-N 3.12Å; R284-K286 VanDerWaalsContact C-N 3.34Å; R284-A288 WeakPolarHBondContact O-CB 3.41Å; R284-A288 PolarHBondContact O-N 2.85Å; R284-P307 PolarHBondContact NH1-O 3.11Å; R284-P307 PolarHBondContact NH2-O 3.14Å; R284-Y308 PolarHBondContact NH1-O 2.86Å; R284-L309 HydrophobicContact CB-CD1 4.13Å
285	V	95.6	Very high	94.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.3	-39.3	174.8	-175.9	0	0	0	0	110.5	L260 L263 A281 L282 Q283 A288 A289 L306 L309 M319	L260-V285 HydrophobicContact CD1-CB 3.87Å; L260-V285 HydrophobicContact CD1-CG1 3.49Å; L260-V285 VanDerWaalsContact CD1-CG1 3.49Å; L263-V285 HydrophobicContact CB-CG1 3.85Å; L263-V285 HydrophobicContact CD1-CG1 4.03Å; A281-V285 WeakPolarHBondContact O-CG2 3.29Å; A281-V285 PolarHBondContact O-N 2.85Å; L282-V285 PolarHBondContact O-N 3.4Å; Q283-V285 PolarHBondContact O-N 2.98Å; V285-A288 PolarHBondContact O-N 2.95Å; V285-A289 WeakPolarHBondContact O-CB 3.25Å; V285-A289 PolarHBondContact O-N 2.63Å; V285-L306 HydrophobicContact CB-CD1 4.41Å; V285-L306 HydrophobicContact CG2-CD1 3.9Å; V285-L309 HydrophobicContact CG2-CD1 3.95Å; V285-L309 HydrophobicContact CG2-CD2 3.78Å; V285-L309 HydrophobicContact CG2-CG 4.48Å; V285-M319 HydrophobicContact CG1-CE 4.29Å; V285-M319 HydrophobicContact CG2-CE 4.15Å
286	K	93.9	Very high	94.6	Very high	36 Å²	36	50.4 Å²	50.4	16%	0.157	25%	0.249	C	C	.	.	H	α-helix	trans	-60.1	-48.2	176	-176.7	172.3	180	172.6	0	111.8	E253 L260 L282 Q283 R284 A288 A289 E290	E253-K286 IonicContact OE2-NZ 3.2Å; E253-K286 PolarHBondContact OE2-NZ 3.08Å; L260-K286 HydrophobicContact CD2-CB 4.31Å; L282-K286 PolarHBondContact O-N 2.92Å; Q283-K286 WeakPolarHBondContact O-CB 3.25Å; Q283-K286 PolarHBondContact O-N 2.81Å; R284-K286 VanDerWaalsContact C-N 3.34Å; K286-A288 VanDerWaalsContact C-N 3.35Å; K286-A288 PolarHBondContact O-N 3.21Å; K286-A289 WeakPolarHBondContact O-CB 3.29Å; K286-A289 PolarHBondContact O-N 3.21Å; K286-E290 PolarHBondContact O-N 3.19Å
287	E	94	Very high	94.9	Very high	68 Å²	68	48.7 Å²	48.7	32%	0.318	24%	0.239	S	C	.	.	H	α-helix	trans	-63.2	-40.2	177.6	-73.2	174	-164	0	0	112.4	Q283 A289 E290 K291	Q283-E287 PolarHBondContact NE2-OE1 3.31Å; Q283-E287 VanDerWaalsContact NE2-OE1 3.13Å; Q283-E287 PolarHBondContact O-N 3.28Å; E287-A289 VanDerWaalsContact C-N 3.34Å; E287-E290 PolarHBondContact O-N 3.08Å; E287-K291 WeakPolarHBondContact O-CB 3.44Å; E287-K291 PolarHBondContact O-N 2.77Å
288	A	96.7	Very high	95.3	Very high	17 Å²	17	45.4 Å²	45.4	14%	0.14	24%	0.238	C	C	.	.	H	α-helix	trans	-66.4	-35.8	175.6	0	0	0	0	0	112.7	R284 V285 K286 A292 I304 L306	R284-A288 WeakPolarHBondContact O-CB 3.41Å; R284-A288 PolarHBondContact O-N 2.85Å; V285-A288 PolarHBondContact O-N 2.95Å; K286-A288 VanDerWaalsContact C-N 3.35Å; K286-A288 PolarHBondContact O-N 3.21Å; A288-A292 VanDerWaalsContact O-CB 3.24Å; A288-A292 WeakPolarHBondContact O-CB 3.45Å; A288-A292 PolarHBondContact O-N 3.33Å; A288-I304 HydrophobicContact CB-CG2 4.1Å; A288-L306 HydrophobicContact CB-CD1 3.91Å; A288-L306 HydrophobicContact CB-CD2 4.01Å; A288-L306 HydrophobicContact CB-CG 4.17Å
289	A	97.3	Very high	95.6	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.8	-48.6	175.1	0	0	0	0	0	111.3	L259 L263 V285 K286 E287 K291 A292 K293	L259-A289 HydrophobicContact CB-CB 4.32Å; L259-A289 HydrophobicContact CD2-CB 3.98Å; L259-A289 WeakPolarHBondContact CD2-O 3.33Å; L259-A289 HydrophobicContact CG-CB 3.98Å; L263-A289 HydrophobicContact CD1-CB 4Å; V285-A289 WeakPolarHBondContact O-CB 3.25Å; V285-A289 PolarHBondContact O-N 2.63Å; K286-A289 WeakPolarHBondContact O-CB 3.29Å; K286-A289 PolarHBondContact O-N 3.21Å; E287-A289 VanDerWaalsContact C-N 3.34Å; A289-K291 VanDerWaalsContact C-N 3.34Å; A289-K291 PolarHBondContact O-N 2.87Å; A289-A292 PolarHBondContact O-N 3.39Å; A289-K293 WeakPolarHBondContact O-CB 3.38Å; A289-K293 PolarHBondContact O-N 3.32Å
290	E	96.9	Very high	96.1	Very high	38 Å²	38	48.4 Å²	48.4	18%	0.178	25%	0.253	C	S	.	.	H	α-helix	trans	-57.5	-48.3	176	-175.7	-171.2	-166.7	0	0	110.6	K83 D256 K286 E287 A292 K293 I294	K83-E290 IonicContact NZ-OE1 3.5Å; K83-E290 PolarHBondContact NZ-OE1 3.46Å; K83-E290 IonicContact NZ-OE2 2.67Å; K83-E290 PolarHBondContact NZ-OE2 2.98Å; D256-E290 WeakPolarHBondContact OD1-CA 3.42Å; K286-E290 PolarHBondContact O-N 3.19Å; E287-E290 PolarHBondContact O-N 3.08Å; E290-A292 PolarHBondContact O-N 3.38Å; E290-K293 WeakPolarHBondContact O-CB 3.26Å; E290-K293 PolarHBondContact O-N 2.97Å; E290-I294 HydrophobicContact CG-CD1 4Å; E290-I294 WeakPolarHBondContact O-CG1 3.24Å; E290-I294 PolarHBondContact O-N 2.91Å
291	K	97.2	Very high	96.4	Very high	133 Å²	133	48.8 Å²	48.8	58%	0.578	25%	0.254	S	S	*	.	H	α-helix	trans	-60.4	-47.4	179.1	-176.5	176	173.5	-179.5	0	112.1	E287 A289 K293 I294 E295	E287-K291 WeakPolarHBondContact O-CB 3.44Å; E287-K291 PolarHBondContact O-N 2.77Å; A289-K291 VanDerWaalsContact C-N 3.34Å; A289-K291 PolarHBondContact O-N 2.87Å; K291-K293 PolarHBondContact O-N 3.41Å; K291-I294 PolarHBondContact O-N 3.4Å; K291-E295 WeakPolarHBondContact CE-OE1 3.29Å; K291-E295 IonicContact NZ-OE1 3.47Å; K291-E295 WeakPolarHBondContact O-CG 3.39Å; K291-E295 PolarHBondContact O-N 3.16Å
292	A	98.2	Very high	96.7	Very high	2 Å²	2	49.3 Å²	49.3	2%	0.017	26%	0.257	C	S	.	.	H	α-helix	trans	-62.8	-41.1	178.9	0	0	0	0	0	112.1	L259 A288 A289 E290 I294 E295 L296 T302 I304 L323	L259-A292 HydrophobicContact CD2-CB 4.32Å; A288-A292 VanDerWaalsContact O-CB 3.24Å; A288-A292 WeakPolarHBondContact O-CB 3.45Å; A288-A292 PolarHBondContact O-N 3.33Å; A289-A292 PolarHBondContact O-N 3.39Å; E290-A292 PolarHBondContact O-N 3.38Å; A292-I294 VanDerWaalsContact C-N 3.33Å; A292-I294 PolarHBondContact O-N 3.22Å; A292-E295 PolarHBondContact O-N 3.48Å; A292-L296 WeakPolarHBondContact O-CB 3.44Å; A292-L296 VanDerWaalsContact O-CG 3.25Å; A292-L296 WeakPolarHBondContact O-CG 3.32Å; A292-L296 PolarHBondContact O-N 2.89Å; A292-T302 HydrophobicContact CB-CG2 3.79Å; A292-I304 HydrophobicContact CB-CD1 3.82Å; A292-I304 HydrophobicContact CB-CG1 3.8Å; A292-L323 HydrophobicContact CB-CD2 4.23Å
293	K	98.4	Very high	96.9	Very high	16 Å²	16	51.1 Å²	51.1	7%	0.07	27%	0.267	C	S	.	.	H	α-helix	trans	-57	-46.5	173.8	177.2	-165.7	71.4	-166.2	0	111.3	G252 F255 D256 A289 E290 K291 L328 M366	G252-K293 PolarHBondContact O-NZ 2.84Å; F255-K293 HydrophobicContact CB-CD 3.89Å; D256-K293 WeakPolarHBondContact OD1-CD 3.49Å; D256-K293 WeakPolarHBondContact OD1-CE 3.43Å; D256-K293 IonicContact OD1-NZ 3.24Å; D256-K293 PolarHBondContact OD1-NZ 3.29Å; D256-K293 IonicContact OD2-NZ 2.7Å; D256-K293 PolarHBondContact OD2-NZ 3.18Å; A289-K293 WeakPolarHBondContact O-CB 3.38Å; A289-K293 PolarHBondContact O-N 3.32Å; E290-K293 WeakPolarHBondContact O-CB 3.26Å; E290-K293 PolarHBondContact O-N 2.97Å; K291-K293 PolarHBondContact O-N 3.41Å; K293-L328 HydrophobicContact CB-CD2 4.49Å; K293-L328 HydrophobicContact CG-CD2 4.31Å; K293-M366 HydrophobicContact CD-CE 4.12Å; K293-M366 HydrophobicContact CD-SD 3.9Å; K293-M366 HydrophobicContact CG-CE 4.4Å
294	I	98.2	Very high	97.1	Very high	97 Å²	97	50 Å²	50	50%	0.497	26%	0.261	S	S	.	.	H	α-helix	trans	-66.1	-48.7	-179.7	-67.4	167.8	0	0	0	110.6	E290 K291 A292 L296 S297	E290-I294 HydrophobicContact CG-CD1 4Å; E290-I294 WeakPolarHBondContact O-CG1 3.24Å; E290-I294 PolarHBondContact O-N 2.91Å; K291-I294 PolarHBondContact O-N 3.4Å; A292-I294 VanDerWaalsContact C-N 3.33Å; A292-I294 PolarHBondContact O-N 3.22Å; I294-L296 VanDerWaalsContact C-N 3.27Å; I294-L296 PolarHBondContact O-N 3.44Å; I294-S297 VanDerWaalsContact O-CB 3.24Å; I294-S297 WeakPolarHBondContact O-CB 3.46Å; I294-S297 PolarHBondContact O-N 3.37Å; I294-S297 PolarHBondContact O-OG 3.39Å
295	E	98	Very high	97.3	Very high	68 Å²	68	52.2 Å²	52.2	32%	0.318	28%	0.277	S	S	.	.	H	α-helix	trans	-59	-37.2	178.9	-74.3	-177.8	-169.7	0	0	112.6	K291 A292 S297 S298 S299 T302	K291-E295 WeakPolarHBondContact CE-OE1 3.29Å; K291-E295 IonicContact NZ-OE1 3.47Å; K291-E295 WeakPolarHBondContact O-CG 3.39Å; K291-E295 PolarHBondContact O-N 3.16Å; A292-E295 PolarHBondContact O-N 3.48Å; E295-S297 PolarHBondContact O-N 3.01Å; E295-S297 VanDerWaalsContact O-N 3.16Å; E295-S298 PolarHBondContact O-N 3.4Å; E295-S298 VanDerWaalsContact O-N 3.14Å; E295-S298 PolarHBondContact O-OG 2.93Å; E295-S299 WeakPolarHBondContact O-CB 3.46Å; E295-S299 PolarHBondContact O-N 2.92Å; E295-T302 WeakPolarHBondContact OE2-CB 3.25Å; E295-T302 PolarHBondContact OE2-OG1 3.12Å
296	L	98.4	Very high	97.3	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.01	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-8.2	177.2	-72.8	175.2	0	0	0	114.1	A292 I294 S298 S299 T302 L323 R325 L328	A292-L296 WeakPolarHBondContact O-CB 3.44Å; A292-L296 VanDerWaalsContact O-CG 3.25Å; A292-L296 WeakPolarHBondContact O-CG 3.32Å; A292-L296 PolarHBondContact O-N 2.89Å; I294-L296 VanDerWaalsContact C-N 3.27Å; I294-L296 PolarHBondContact O-N 3.44Å; L296-S298 VanDerWaalsContact C-N 3.34Å; L296-S299 CarbonylContact C-O 3.56Å; L296-S299 WeakPolarHBondContact CA-O 3.49Å; L296-T302 HydrophobicContact CD1-CG2 4.02Å; L296-T302 HydrophobicContact CD2-CG2 3.93Å; L296-T302 HydrophobicContact CG-CG2 3.7Å; L296-L323 HydrophobicContact CD1-CB 4.5Å; L296-L323 HydrophobicContact CD1-CD2 3.54Å; L296-L323 HydrophobicContact CD1-CG 3.77Å; L296-R325 HydrophobicContact CD2-CB 4.19Å; L296-R325 PolarHBondContact O-NE 3Å; L296-R325 PolarHBondContact O-NH2 3.49Å; L296-L328 HydrophobicContact CB-CD2 3.94Å; L296-L328 HydrophobicContact CD1-CB 3.87Å; L296-L328 HydrophobicContact CD1-CD2 3.78Å; L296-L328 HydrophobicContact CD1-CG 4.45Å
297	S	97.9	Very high	97.5	Very high	31 Å²	31	54.1 Å²	54.1	22%	0.217	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-26.1	171.4	-60.2	0	0	0	0	112.4	I294 E295 P370	I294-S297 VanDerWaalsContact O-CB 3.24Å; I294-S297 WeakPolarHBondContact O-CB 3.46Å; I294-S297 PolarHBondContact O-N 3.37Å; I294-S297 PolarHBondContact O-OG 3.39Å; E295-S297 PolarHBondContact O-N 3.01Å; E295-S297 VanDerWaalsContact O-N 3.16Å; S297-P370 WeakPolarHBondContact O-CG 2.87Å
298	S	97.1	Very high	97.5	Very high	100 Å²	100	58.5 Å²	58.5	70%	0.699	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.9	-37.5	175.1	56	0	0	0	0	112.6	E295 L296 R325	E295-S298 PolarHBondContact O-N 3.4Å; E295-S298 VanDerWaalsContact O-N 3.14Å; E295-S298 PolarHBondContact O-OG 2.93Å; L296-S298 VanDerWaalsContact C-N 3.34Å; S298-R325 VanDerWaalsContact C-NH2 3.25Å; S298-R325 PolarHBondContact O-NH2 2.92Å; S298-R325 VanDerWaalsContact O-NH2 3.17Å
299	S	97.6	Very high	97.5	Very high	55 Å²	55	57.8 Å²	57.8	39%	0.385	30%	0.301	S	S	.	.			trans	-96.3	153.9	-178.7	-64.1	0	0	0	0	113	E295 L296 Q301 R325	E295-S299 WeakPolarHBondContact O-CB 3.46Å; E295-S299 PolarHBondContact O-N 2.92Å; L296-S299 CarbonylContact C-O 3.56Å; L296-S299 WeakPolarHBondContact CA-O 3.49Å; S299-Q301 WeakPolarHBondContact CB-O 3.36Å; S299-R325 VanDerWaalsContact C-NH2 3.27Å; S299-R325 PolarHBondContact O-NE 2.89Å; S299-R325 PolarHBondContact O-NH2 3.25Å
300	L	97.9	Very high	97.3	Very high	133 Å²	133	59 Å²	59	70%	0.696	31%	0.308	S	S	*	.	S	Bend	trans	-82.5	-19.9	174.8	-65.3	176.3	0	0	0	113	R325	L300-R325 PolarHBondContact O-N 3.43Å
301	Q	98	Very high	97.1	Very high	102 Å²	102	64 Å²	64	48%	0.477	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	155.3	177.7	66.9	-177.3	4.3	0	0	110.1	S299 L323	S299-Q301 WeakPolarHBondContact CB-O 3.36Å; Q301-L323 CarbonylContact C-O 3.59Å; Q301-L323 VanDerWaalsContact CA-O 3.29Å; Q301-L323 WeakPolarHBondContact CA-O 3.45Å
302	T	98.4	Very high	96.7	Very high	11 Å²	11	60.2 Å²	60.2	7%	0.067	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	155.8	171.6	179.4	0	0	0	0	109.5	A292 E295 L296 L323	A292-T302 HydrophobicContact CB-CG2 3.79Å; E295-T302 WeakPolarHBondContact OE2-CB 3.25Å; E295-T302 PolarHBondContact OE2-OG1 3.12Å; L296-T302 HydrophobicContact CD1-CG2 4.02Å; L296-T302 HydrophobicContact CD2-CG2 3.93Å; L296-T302 HydrophobicContact CG-CG2 3.7Å; T302-L323 HydrophobicContact CG2-CB 4.21Å; T302-L323 PolarHBondContact N-O 3.33Å; T302-L323 PolarHBondContact O-N 3.47Å
303	D	97.8	Very high	96.3	Very high	80 Å²	80	70.6 Å²	70.6	43%	0.428	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	117.3	177.3	-67.2	-62.9	0	0	0	109.6	N305 K322	D303-N305 PolarHBondContact O-N 2.84Å; D303-K322 WeakPolarHBondContact OD1-CB 3.33Å; D303-K322 WeakPolarHBondContact OD1-CE 3.36Å
304	I	97.8	Very high	96	Very high	7 Å²	7	74 Å²	74	4%	0.036	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	108.6	172.5	-63.9	168.7	0	0	0	107.5	L263 A288 A292 L306 M319 H320 F321 L323	L263-I304 HydrophobicContact CD1-CD1 3.76Å; L263-I304 HydrophobicContact CD2-CD1 3.58Å; L263-I304 HydrophobicContact CG-CD1 4.3Å; A288-I304 HydrophobicContact CB-CG2 4.1Å; A292-I304 HydrophobicContact CB-CD1 3.82Å; A292-I304 HydrophobicContact CB-CG1 3.8Å; I304-L306 HydrophobicContact CG2-CG 4.45Å; I304-M319 HydrophobicContact CG2-CG 4.49Å; I304-M319 HydrophobicContact CG2-SD 3.92Å; I304-H320 CarbonylContact O-C 3.5Å; I304-H320 WeakPolarHBondContact O-CA 3.36Å; I304-F321 HydrophobicContact CB-CB 4.42Å; I304-F321 PolarHBondContact N-O 3.05Å; I304-F321 PolarHBondContact O-N 3.23Å; I304-L323 HydrophobicContact CD1-CB 4.35Å; I304-L323 HydrophobicContact CD1-CD2 4.2Å
305	N	97.3	Very high	95.7	Very high	101 Å²	101	70.2 Å²	70.2	54%	0.54	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	104.3	-179.2	-174.1	8.5	0	0	0	110.7	D303 P307 M319	D303-N305 PolarHBondContact O-N 2.84Å; N305-P307 WeakPolarHBondContact O-CD 3.37Å; N305-M319 CarbonylContact C-O 3.59Å; N305-M319 WeakPolarHBondContact CA-O 3.44Å
306	L	97.2	Very high	95.6	Very high	19 Å²	19	70.1 Å²	70.1	10%	0.099	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	90.2	176.5	-63	172.4	0	0	0	109.8	V285 A288 I304 L309 H318 M319	V285-L306 HydrophobicContact CB-CD1 4.41Å; V285-L306 HydrophobicContact CG2-CD1 3.9Å; A288-L306 HydrophobicContact CB-CD1 3.91Å; A288-L306 HydrophobicContact CB-CD2 4.01Å; A288-L306 HydrophobicContact CB-CG 4.17Å; I304-L306 HydrophobicContact CG2-CG 4.45Å; L306-L309 HydrophobicContact CB-CB 4.37Å; L306-L309 HydrophobicContact CB-CD1 4.32Å; L306-L309 HydrophobicContact CD1-CD1 4.09Å; L306-L309 HydrophobicContact CD1-CD2 4.37Å; L306-H318 WeakPolarHBondContact O-CA 3.38Å; L306-M319 HydrophobicContact CB-CB 4.15Å; L306-M319 HydrophobicContact CD1-SD 4.06Å; L306-M319 PolarHBondContact N-O 3.45Å; L306-M319 PolarHBondContact O-N 2.86Å
307	P	96.6	Very high	95.5	Very high	57 Å²	57	71.9 Å²	71.9	37%	0.37	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	146.3	175.8	28.5	-34	0	0	0	111.1	R284 N305 L309 H318	R284-P307 PolarHBondContact NH1-O 3.11Å; R284-P307 PolarHBondContact NH2-O 3.14Å; N305-P307 WeakPolarHBondContact O-CD 3.37Å; P307-L309 VanDerWaalsContact C-N 3.26Å; P307-L309 PolarHBondContact O-N 3.43Å; P307-H318 VanDerWaalsContact CA-ND1 3.31Å; P307-H318 WeakPolarHBondContact CA-ND1 3.38Å
308	Y	95.4	Very high	95.4	Very high	159 Å²	159	74.1 Å²	74.1	62%	0.624	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	51.8	45.8	-179.8	-53.6	-84.5	0	0	0	111.8	R284 T310 P316 K317 H318	R284-Y308 PolarHBondContact NH1-O 2.86Å; Y308-T310 VanDerWaalsContact C-N 3.35Å; Y308-P316 HydrophobicContact CD1-CB 3.48Å; Y308-P316 VanDerWaalsContact CD1-CB 3.48Å; Y308-P316 HydrophobicContact CD1-CG 4.02Å; Y308-P316 HydrophobicContact CE1-CB 3.89Å; Y308-P316 HydrophobicContact CE1-CG 3.88Å; Y308-K317 CarbonylContact C-O 3.37Å; Y308-K317 WeakPolarHBondContact CA-O 3.42Å; Y308-H318 PolarHBondContact N-ND1 2.99Å
309	L	95.2	Very high	95.4	Very high	2 Å²	2	69.7 Å²	69.7	1%	0.01	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	-42.6	-178.3	-179	58.6	0	0	0	110.9	F267 V275 A281 R284 V285 L306 P307 K317 M319	F267-L309 HydrophobicContact CD2-CD2 4.03Å; F267-L309 HydrophobicContact CE2-CD2 3.77Å; F267-L309 HydrophobicContact CZ-CD2 4.06Å; V275-L309 HydrophobicContact CG1-CD2 4.31Å; A281-L309 HydrophobicContact CB-CD1 3.87Å; A281-L309 HydrophobicContact CB-CG 4.18Å; A281-L309 WeakPolarHBondContact CB-O 3.46Å; R284-L309 HydrophobicContact CB-CD1 4.13Å; V285-L309 HydrophobicContact CG2-CD1 3.95Å; V285-L309 HydrophobicContact CG2-CD2 3.78Å; V285-L309 HydrophobicContact CG2-CG 4.48Å; L306-L309 HydrophobicContact CB-CB 4.37Å; L306-L309 HydrophobicContact CB-CD1 4.32Å; L306-L309 HydrophobicContact CD1-CD1 4.09Å; L306-L309 HydrophobicContact CD1-CD2 4.37Å; P307-L309 VanDerWaalsContact C-N 3.26Å; P307-L309 PolarHBondContact O-N 3.43Å; L309-K317 PolarHBondContact N-O 2.57Å; L309-M319 HydrophobicContact CD2-CB 3.94Å; L309-M319 HydrophobicContact CD2-CE 4.07Å
310	T	94	Very high	95.3	Very high	25 Å²	25	72.5 Å²	72.5	15%	0.153	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	-177.6	175.6	-166.6	0	0	0	0	109.8	F267 I273 V275 Y308 K317	F267-T310 HydrophobicContact CE1-CG2 3.88Å; F267-T310 HydrophobicContact CZ-CG2 3.92Å; I273-T310 HydrophobicContact CD1-CG2 4.13Å; I273-T310 HydrophobicContact CG2-CG2 4.04Å; V275-T310 HydrophobicContact CG1-CG2 4.38Å; Y308-T310 VanDerWaalsContact C-N 3.35Å; T310-K317 HydrophobicContact CG2-CB 4.16Å; T310-K317 PolarHBondContact O-N 2.65Å
311	M	92.5	Very high	95.2	Very high	144 Å²	144	68.1 Å²	68.1	71%	0.709	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.1	140.7	-179.8	-177.2	175.1	66.4	0	0	110.4
312	D	89.4	Confident	95.2	Very high	53 Å²	53	68.7 Å²	68.7	28%	0.283	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	-171.2	167	76.8	-3.4	0	0	0	111.2	I273 A314 G315 K317	I273-D312 HydrophobicContact CD1-CB 3.85Å; D312-A314 PolarHBondContact O-N 2.87Å; D312-A314 WeakPolarHBondContact OD1-CA 3.34Å; D312-A314 WeakPolarHBondContact OD1-CB 3.45Å; D312-A314 PolarHBondContact OD1-N 3.34Å; D312-G315 PolarHBondContact N-O 2.92Å; D312-G315 PolarHBondContact O-N 3.33Å; D312-G315 VanDerWaalsContact O-N 3.13Å; D312-G315 PolarHBondContact OD1-N 2.82Å; D312-G315 VanDerWaalsContact OD1-N 3.1Å; D312-K317 WeakPolarHBondContact OD1-CE 3.29Å; D312-K317 IonicContact OD1-NZ 2.96Å; D312-K317 PolarHBondContact OD1-NZ 2.7Å; D312-K317 WeakPolarHBondContact OD2-CE 3.43Å; D312-K317 IonicContact OD2-NZ 3.15Å; D312-K317 PolarHBondContact OD2-NZ 3Å
313	K	89.8	Confident	95.2	Very high	221 Å²	221	68.2 Å²	68.2	96%	0.961	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-22.9	178.1	-63.7	-176.4	-179.3	-179.6	0	113.8
314	A	90.9	Very high	95.2	Very high	87 Å²	87	67.2 Å²	67.2	72%	0.719	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-9.4	179.1	0	0	0	0	0	112.7	D312	D312-A314 PolarHBondContact O-N 2.87Å; D312-A314 WeakPolarHBondContact OD1-CA 3.34Å; D312-A314 WeakPolarHBondContact OD1-CB 3.45Å; D312-A314 PolarHBondContact OD1-N 3.34Å
315	G	93.6	Very high	95.2	Very high	18 Å²	18	69 Å²	69	19%	0.186	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	126.3	-164	176.4	0	0	0	0	0	113.3	D312	D312-G315 PolarHBondContact N-O 2.92Å; D312-G315 PolarHBondContact O-N 3.33Å; D312-G315 VanDerWaalsContact O-N 3.13Å; D312-G315 PolarHBondContact OD1-N 2.82Å; D312-G315 VanDerWaalsContact OD1-N 3.1Å
316	P	95.3	Very high	95.3	Very high	65 Å²	65	67.3 Å²	67.3	42%	0.422	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	145.1	-179	28.6	-34.8	0	0	0	111.7	Y308	Y308-P316 HydrophobicContact CD1-CB 3.48Å; Y308-P316 VanDerWaalsContact CD1-CB 3.48Å; Y308-P316 HydrophobicContact CD1-CG 4.02Å; Y308-P316 HydrophobicContact CE1-CB 3.89Å; Y308-P316 HydrophobicContact CE1-CG 3.88Å
317	K	96	Very high	95.3	Very high	40 Å²	40	69.7 Å²	69.7	17%	0.174	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	146.5	174.2	-58.9	-59.6	-179.8	-173.9	0	110.8	F267 I273 Y308 L309 T310 D312	F267-K317 HydrophobicContact CZ-CB 3.86Å; I273-K317 HydrophobicContact CD1-CG 3.76Å; Y308-K317 CarbonylContact C-O 3.37Å; Y308-K317 WeakPolarHBondContact CA-O 3.42Å; L309-K317 PolarHBondContact N-O 2.57Å; T310-K317 HydrophobicContact CG2-CB 4.16Å; T310-K317 PolarHBondContact O-N 2.65Å; D312-K317 WeakPolarHBondContact OD1-CE 3.29Å; D312-K317 IonicContact OD1-NZ 2.96Å; D312-K317 PolarHBondContact OD1-NZ 2.7Å; D312-K317 WeakPolarHBondContact OD2-CE 3.43Å; D312-K317 IonicContact OD2-NZ 3.15Å; D312-K317 PolarHBondContact OD2-NZ 3Å
318	H	96.1	Very high	95.4	Very high	77 Å²	77	67.2 Å²	67.2	36%	0.356	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	143.4	-177.5	-48.8	-90.4	0	0	0	107.8	H271 L306 P307 Y308	H271-H318 PolarHBondContact NE2-O 3.4Å; L306-H318 WeakPolarHBondContact O-CA 3.38Å; P307-H318 VanDerWaalsContact CA-ND1 3.31Å; P307-H318 WeakPolarHBondContact CA-ND1 3.38Å; Y308-H318 PolarHBondContact N-ND1 2.99Å
319	M	96.6	Very high	95.6	Very high	7 Å²	7	61.7 Å²	61.7	3%	0.034	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	119.8	166.5	177.4	-173.8	-80.4	0	0	107.9	L263 F267 V285 I304 N305 L306 L309 F321	L263-M319 HydrophobicContact CB-CE 4.16Å; L263-M319 HydrophobicContact CB-SD 4.47Å; L263-M319 HydrophobicContact CD2-SD 4.47Å; F267-M319 HydrophobicContact CB-CE 3.64Å; F267-M319 HydrophobicContact CD2-CB 3.82Å; F267-M319 HydrophobicContact CD2-CE 3.72Å; F267-M319 HydrophobicContact CD2-CG 4.22Å; F267-M319 HydrophobicContact CE2-CB 3.95Å; F267-M319 HydrophobicContact CG-CE 3.97Å; V285-M319 HydrophobicContact CG1-CE 4.29Å; V285-M319 HydrophobicContact CG2-CE 4.15Å; I304-M319 HydrophobicContact CG2-CG 4.49Å; I304-M319 HydrophobicContact CG2-SD 3.92Å; N305-M319 CarbonylContact C-O 3.59Å; N305-M319 WeakPolarHBondContact CA-O 3.44Å; L306-M319 HydrophobicContact CB-CB 4.15Å; L306-M319 HydrophobicContact CD1-SD 4.06Å; L306-M319 PolarHBondContact N-O 3.45Å; L306-M319 PolarHBondContact O-N 2.86Å; L309-M319 HydrophobicContact CD2-CB 3.94Å; L309-M319 HydrophobicContact CD2-CE 4.07Å; M319-F321 HydrophobicContact CG-CB 4.5Å
320	H	96.1	Very high	95.7	Very high	115 Å²	115	69.3 Å²	69.3	53%	0.532	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	101.1	171.1	179.8	-81.6	0	0	0	109.1	I304	I304-H320 CarbonylContact O-C 3.5Å; I304-H320 WeakPolarHBondContact O-CA 3.36Å
321	F	95.6	Very high	95.9	Very high	41 Å²	41	69.5 Å²	69.5	18%	0.18	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	121.4	-173.6	-169.3	-86.3	0	0	0	111.3	F262 L263 E266 I304 M319 L323	F262-F321 AromaticContact CE1-CE1 3.68Å; F262-F321 HydrophobicContact CE1-CE1 3.68Å; F262-F321 HydrophobicContact CE1-CE2 4.33Å; F262-F321 AromaticContact CE1-CZ 3.53Å; F262-F321 HydrophobicContact CE1-CZ 3.53Å; F262-F321 HydrophobicContact CZ-CE1 4.2Å; F262-F321 HydrophobicContact CZ-CE2 4.29Å; F262-F321 AromaticContact CZ-CZ 3.6Å; F262-F321 HydrophobicContact CZ-CZ 3.6Å; L263-F321 HydrophobicContact CD2-CD1 4.16Å; L263-F321 HydrophobicContact CD2-CG 4.37Å; E266-F321 HydrophobicContact CB-CD2 4.42Å; E266-F321 HydrophobicContact CB-CE2 4.26Å; E266-F321 HydrophobicContact CG-CE2 3.93Å; E266-F321 HydrophobicContact CG-CZ 4.42Å; I304-F321 HydrophobicContact CB-CB 4.42Å; I304-F321 PolarHBondContact N-O 3.05Å; I304-F321 PolarHBondContact O-N 3.23Å; M319-F321 HydrophobicContact CG-CB 4.5Å; F321-L323 HydrophobicContact CD1-CB 4.18Å; F321-L323 HydrophobicContact CE1-CB 4.2Å; F321-L323 HydrophobicContact CE1-CD1 3.97Å
322	K	97.5	Very high	96.2	Very high	113 Å²	113	62.7 Å²	62.7	49%	0.491	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	115.2	172.7	178.8	168.1	-78.6	-171.8	0	110.1	D303	D303-K322 WeakPolarHBondContact OD1-CB 3.33Å; D303-K322 WeakPolarHBondContact OD1-CE 3.36Å
323	L	98	Very high	96.6	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.005	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	129.8	-179.8	-174.7	69.1	0	0	0	110.5	L259 F262 A292 L296 Q301 T302 I304 F321 K327	L259-L323 HydrophobicContact CD1-CD1 4.19Å; L259-L323 HydrophobicContact CD1-CD2 3.65Å; L259-L323 HydrophobicContact CD2-CD2 3.86Å; L259-L323 HydrophobicContact CG-CD2 4.43Å; F262-L323 HydrophobicContact CE1-CD1 4.32Å; A292-L323 HydrophobicContact CB-CD2 4.23Å; L296-L323 HydrophobicContact CD1-CB 4.5Å; L296-L323 HydrophobicContact CD1-CD2 3.54Å; L296-L323 HydrophobicContact CD1-CG 3.77Å; Q301-L323 CarbonylContact C-O 3.59Å; Q301-L323 VanDerWaalsContact CA-O 3.29Å; Q301-L323 WeakPolarHBondContact CA-O 3.45Å; T302-L323 HydrophobicContact CG2-CB 4.21Å; T302-L323 PolarHBondContact N-O 3.33Å; T302-L323 PolarHBondContact O-N 3.47Å; I304-L323 HydrophobicContact CD1-CB 4.35Å; I304-L323 HydrophobicContact CD1-CD2 4.2Å; F321-L323 HydrophobicContact CD1-CB 4.18Å; F321-L323 HydrophobicContact CE1-CB 4.2Å; F321-L323 HydrophobicContact CE1-CD1 3.97Å; L323-K327 HydrophobicContact CD1-CB 4.09Å; L323-K327 HydrophobicContact CD1-CG 3.87Å
324	T	98.4	Very high	97	Very high	60 Å²	60	57 Å²	57	37%	0.368	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	154.1	174	66	0	0	0	0	111.2	A326 K327 L328	T324-A326 VanDerWaalsContact C-N 3.28Å; T324-A326 PolarHBondContact O-N 3.48Å; T324-K327 PolarHBondContact O-N 3.44Å; T324-K327 VanDerWaalsContact O-N 3.11Å; T324-K327 WeakPolarHBondContact OG1-CB 3.1Å; T324-K327 PolarHBondContact OG1-N 2.92Å; T324-L328 PolarHBondContact O-N 3.04Å; T324-L328 VanDerWaalsContact O-N 3.09Å
325	R	98.5	Very high	97.3	Very high	44 Å²	44	53.3 Å²	53.3	17%	0.166	27%	0.272	C	S	.	.	H	α-helix	trans	-56.5	-44.4	173.6	-176.7	-174.8	-64.5	172.6	-0.3	111.2	L296 S298 S299 L300 K327 L328 E329	L296-R325 HydrophobicContact CD2-CB 4.19Å; L296-R325 PolarHBondContact O-NE 3Å; L296-R325 PolarHBondContact O-NH2 3.49Å; S298-R325 VanDerWaalsContact C-NH2 3.25Å; S298-R325 PolarHBondContact O-NH2 2.92Å; S298-R325 VanDerWaalsContact O-NH2 3.17Å; S299-R325 VanDerWaalsContact C-NH2 3.27Å; S299-R325 PolarHBondContact O-NE 2.89Å; S299-R325 PolarHBondContact O-NH2 3.25Å; L300-R325 PolarHBondContact O-N 3.43Å; R325-K327 VanDerWaalsContact C-N 3.26Å; R325-K327 PolarHBondContact O-N 3.33Å; R325-L328 WeakPolarHBondContact O-CB 3.47Å; R325-L328 PolarHBondContact O-N 3.17Å; R325-L328 VanDerWaalsContact O-N 3.13Å; R325-E329 WeakPolarHBondContact CD-OE1 3.27Å; R325-E329 HydrophobicContact CG-CG 4.25Å; R325-E329 WeakPolarHBondContact CG-OE1 3.14Å; R325-E329 WeakPolarHBondContact O-CG 3.28Å; R325-E329 PolarHBondContact O-N 3.14Å
326	A	98.3	Very high	97.5	Very high	65 Å²	65	52.8 Å²	52.8	54%	0.537	27%	0.265	S	S	.	.	H	α-helix	trans	-58.6	-37.3	178	0	0	0	0	0	112.5	T324 Y330	T324-A326 VanDerWaalsContact C-N 3.28Å; T324-A326 PolarHBondContact O-N 3.48Å; A326-Y330 WeakPolarHBondContact O-CB 3.27Å; A326-Y330 PolarHBondContact O-N 2.89Å
327	K	98.2	Very high	97.7	Very high	70 Å²	70	55.1 Å²	55.1	30%	0.304	27%	0.268	S	S	.	.	H	α-helix	trans	-68.7	-43.8	175.6	-176.9	59.1	177.1	-179.8	0	111.6	F262 L323 T324 R325 Y330 L331	F262-K327 VanDerWaalsContact CE2-CE 3.45Å; F262-K327 VanDerWaalsContact CZ-CE 3.45Å; F262-K327 HydrophobicContact CZ-CG 4.49Å; L323-K327 HydrophobicContact CD1-CB 4.09Å; L323-K327 HydrophobicContact CD1-CG 3.87Å; T324-K327 PolarHBondContact O-N 3.44Å; T324-K327 VanDerWaalsContact O-N 3.11Å; T324-K327 WeakPolarHBondContact OG1-CB 3.1Å; T324-K327 PolarHBondContact OG1-N 2.92Å; R325-K327 VanDerWaalsContact C-N 3.26Å; R325-K327 PolarHBondContact O-N 3.33Å; K327-Y330 PolarHBondContact O-N 2.58Å; K327-L331 HydrophobicContact CG-CD1 4.41Å; K327-L331 VanDerWaalsContact O-CG 3.31Å; K327-L331 WeakPolarHBondContact O-CG 3.31Å; K327-L331 PolarHBondContact O-N 2.95Å; K327-L331 VanDerWaalsContact O-N 3.09Å
328	L	98.5	Very high	97.7	Very high	4 Å²	4	58 Å²	58	2%	0.021	28%	0.278	C	S	.	.	H	α-helix	trans	-58.4	-49.7	174.2	173.5	63.1	0	0	0	111.1	L259 K293 L296 T324 R325 Y330 L331 V332 M369	L259-L328 HydrophobicContact CD2-CD1 4.4Å; K293-L328 HydrophobicContact CB-CD2 4.49Å; K293-L328 HydrophobicContact CG-CD2 4.31Å; L296-L328 HydrophobicContact CB-CD2 3.94Å; L296-L328 HydrophobicContact CD1-CB 3.87Å; L296-L328 HydrophobicContact CD1-CD2 3.78Å; L296-L328 HydrophobicContact CD1-CG 4.45Å; T324-L328 PolarHBondContact O-N 3.04Å; T324-L328 VanDerWaalsContact O-N 3.09Å; R325-L328 WeakPolarHBondContact O-CB 3.47Å; R325-L328 PolarHBondContact O-N 3.17Å; R325-L328 VanDerWaalsContact O-N 3.13Å; L328-Y330 VanDerWaalsContact C-N 3.27Å; L328-Y330 PolarHBondContact O-N 2.8Å; L328-L331 WeakPolarHBondContact O-CB 3.46Å; L328-L331 PolarHBondContact O-N 2.85Å; L328-V332 HydrophobicContact CD1-CG1 4.05Å; L328-V332 WeakPolarHBondContact O-CG2 3.4Å; L328-V332 PolarHBondContact O-N 2.88Å; L328-V332 VanDerWaalsContact O-N 3.1Å; L328-M369 HydrophobicContact CD2-CE 4.46Å; L328-M369 HydrophobicContact CG-CE 4.34Å
329	E	98.4	Very high	97.8	Very high	43 Å²	43	54.3 Å²	54.3	20%	0.201	26%	0.261	C	S	.	.	H	α-helix	trans	-56.2	-41.4	178.7	-73.3	176.8	-178.3	0	0	112.1	R325 V332 E333 M369 K371	R325-E329 WeakPolarHBondContact CD-OE1 3.27Å; R325-E329 HydrophobicContact CG-CG 4.25Å; R325-E329 WeakPolarHBondContact CG-OE1 3.14Å; R325-E329 WeakPolarHBondContact O-CG 3.28Å; R325-E329 PolarHBondContact O-N 3.14Å; E329-V332 PolarHBondContact O-N 3.44Å; E329-E333 WeakPolarHBondContact O-CB 3.42Å; E329-E333 PolarHBondContact O-N 2.88Å; E329-M369 HydrophobicContact CG-CE 3.72Å; E329-K371 HydrophobicContact CG-CB 3.91Å; E329-K371 HydrophobicContact CG-CG 4.11Å
330	Y	98.1	Very high	97.9	Very high	162 Å²	162	56.6 Å²	56.6	64%	0.635	27%	0.273	S	S	*	.	H	α-helix	trans	-62.4	-41.9	174	175.1	-96.6	0	0	0	112.7	A326 K327 L328 V332	A326-Y330 WeakPolarHBondContact O-CB 3.27Å; A326-Y330 PolarHBondContact O-N 2.89Å; K327-Y330 PolarHBondContact O-N 2.58Å; L328-Y330 VanDerWaalsContact C-N 3.27Å; L328-Y330 PolarHBondContact O-N 2.8Å; Y330-V332 VanDerWaalsContact C-N 3.33Å; Y330-V332 PolarHBondContact O-N 2.86Å
331	L	98.2	Very high	97.9	Very high	30 Å²	30	55.9 Å²	55.9	16%	0.157	27%	0.27	C	S	.	.	H	α-helix	trans	-67.4	-32.1	-178.9	-68.2	171.3	0	0	0	112.8	L259 F262 K327 L328	L259-L331 HydrophobicContact CD1-CD1 4.12Å; F262-L331 HydrophobicContact CB-CD1 3.83Å; F262-L331 HydrophobicContact CB-CD2 4.12Å; F262-L331 HydrophobicContact CD1-CD1 3.72Å; F262-L331 HydrophobicContact CD2-CD1 4.27Å; F262-L331 HydrophobicContact CD2-CD2 3.99Å; F262-L331 HydrophobicContact CE1-CD1 4.37Å; F262-L331 HydrophobicContact CG-CD1 3.65Å; F262-L331 HydrophobicContact CG-CD2 4.07Å; K327-L331 HydrophobicContact CG-CD1 4.41Å; K327-L331 VanDerWaalsContact O-CG 3.31Å; K327-L331 WeakPolarHBondContact O-CG 3.31Å; K327-L331 PolarHBondContact O-N 2.95Å; K327-L331 VanDerWaalsContact O-N 3.09Å; L328-L331 WeakPolarHBondContact O-CB 3.46Å; L328-L331 PolarHBondContact O-N 2.85Å
332	V	98.4	Very high	98	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-108	5.5	-174.4	-53.4	0	0	0	0	113.9	F255 E258 L328 E329 Y330 S334 L335 I336 M369	F255-V332 HydrophobicContact CB-CG1 4.23Å; F255-V332 HydrophobicContact CD1-CB 3.71Å; F255-V332 HydrophobicContact CD1-CG1 3.8Å; F255-V332 HydrophobicContact CD1-CG2 3.72Å; F255-V332 HydrophobicContact CE1-CB 3.91Å; F255-V332 HydrophobicContact CE1-CG1 4.5Å; F255-V332 HydrophobicContact CE1-CG2 3.7Å; F255-V332 HydrophobicContact CG-CB 4.37Å; F255-V332 HydrophobicContact CG-CG1 4.19Å; E258-V332 HydrophobicContact CB-CG1 4.27Å; L328-V332 HydrophobicContact CD1-CG1 4.05Å; L328-V332 WeakPolarHBondContact O-CG2 3.4Å; L328-V332 PolarHBondContact O-N 2.88Å; L328-V332 VanDerWaalsContact O-N 3.1Å; E329-V332 PolarHBondContact O-N 3.44Å; Y330-V332 VanDerWaalsContact C-N 3.33Å; Y330-V332 PolarHBondContact O-N 2.86Å; V332-S334 PolarHBondContact O-N 2.77Å; V332-L335 HydrophobicContact CB-CD1 4.36Å; V332-L335 WeakPolarHBondContact O-CB 3.29Å; V332-L335 PolarHBondContact O-N 2.74Å; V332-I336 HydrophobicContact CG2-CD1 4.03Å; V332-I336 HydrophobicContact CG2-CG1 4.42Å; V332-I336 PolarHBondContact O-N 3.1Å; V332-I336 VanDerWaalsContact O-N 3.14Å; V332-M369 HydrophobicContact CG2-CE 3.69Å; V332-M369 HydrophobicContact CG2-SD 4.28Å
333	E	98	Very high	98	Very high	85 Å²	85	49.1 Å²	49.1	40%	0.397	24%	0.241	S	C	.	.	H	α-helix	trans	-54.5	-40.3	-175.7	-168.7	-173	175.2	0	0	112.3	E329 L335 I336 K337	E329-E333 WeakPolarHBondContact O-CB 3.42Å; E329-E333 PolarHBondContact O-N 2.88Å; E333-L335 VanDerWaalsContact C-N 3.3Å; E333-L335 PolarHBondContact O-N 3.49Å; E333-I336 PolarHBondContact O-N 3.28Å; E333-K337 VanDerWaalsContact CD-NZ 3.3Å; E333-K337 HydrophobicContact CG-CD 4.34Å; E333-K337 WeakPolarHBondContact O-CG 3.31Å; E333-K337 PolarHBondContact O-N 2.9Å; E333-K337 WeakPolarHBondContact OE1-CE 3.19Å; E333-K337 IonicContact OE1-NZ 3.47Å; E333-K337 PolarHBondContact OE1-NZ 2.8Å; E333-K337 IonicContact OE2-NZ 3.27Å
334	S	97.8	Very high	97.9	Very high	71 Å²	71	52.4 Å²	52.4	50%	0.497	26%	0.259	S	S	.	.	H	α-helix	trans	-65.2	-31.9	177.7	54.9	0	0	0	0	113.1	V332 R338	V332-S334 PolarHBondContact O-N 2.77Å; S334-R338 WeakPolarHBondContact O-CG 3.43Å; S334-R338 PolarHBondContact O-N 3Å
335	L	98.2	Very high	97.8	Very high	8 Å²	8	53.4 Å²	53.4	4%	0.042	26%	0.258	C	S	.	.	H	α-helix	trans	-72.3	-42.4	176.7	-59	-179.9	0	0	0	110.9	L250 D254 F255 E258 V332 E333 R338	L250-L335 HydrophobicContact CD1-CB 4.15Å; L250-L335 HydrophobicContact CD1-CD2 4.15Å; D254-L335 HydrophobicContact CB-CD1 3.86Å; D254-L335 HydrophobicContact CB-CD2 4.31Å; F255-L335 HydrophobicContact CD2-CB 4.38Å; F255-L335 HydrophobicContact CD2-CD1 3.75Å; F255-L335 HydrophobicContact CE2-CB 3.84Å; F255-L335 HydrophobicContact CE2-CD1 4.07Å; F255-L335 HydrophobicContact CG-CD1 4.13Å; F255-L335 HydrophobicContact CZ-CB 4.03Å; E258-L335 HydrophobicContact CG-CD1 3.9Å; V332-L335 HydrophobicContact CB-CD1 4.36Å; V332-L335 WeakPolarHBondContact O-CB 3.29Å; V332-L335 PolarHBondContact O-N 2.74Å; E333-L335 VanDerWaalsContact C-N 3.3Å; E333-L335 PolarHBondContact O-N 3.49Å; L335-R338 WeakPolarHBondContact O-CB 3.39Å; L335-R338 PolarHBondContact O-N 2.77Å
336	I	98.3	Very high	97.7	Very high	8 Å²	8	51.3 Å²	51.3	4%	0.041	25%	0.25	C	S	.	.	H	α-helix	trans	-64.5	-42.2	175.5	-60.6	175.3	0	0	0	110.3	F255 V332 E333 R338 T339 M369 K371 V372 T375	F255-I336 HydrophobicContact CE1-CD1 4.33Å; F255-I336 HydrophobicContact CE1-CG1 3.89Å; F255-I336 HydrophobicContact CZ-CG1 3.88Å; V332-I336 HydrophobicContact CG2-CD1 4.03Å; V332-I336 HydrophobicContact CG2-CG1 4.42Å; V332-I336 PolarHBondContact O-N 3.1Å; V332-I336 VanDerWaalsContact O-N 3.14Å; E333-I336 PolarHBondContact O-N 3.28Å; I336-R338 PolarHBondContact O-N 2.66Å; I336-T339 PolarHBondContact O-N 3.38Å; I336-T339 PolarHBondContact O-OG1 3.11Å; I336-M369 HydrophobicContact CD1-CE 4.01Å; I336-M369 HydrophobicContact CD1-SD 4.08Å; I336-K371 HydrophobicContact CD1-CB 3.89Å; I336-K371 HydrophobicContact CD1-CG 3.64Å; I336-V372 HydrophobicContact CD1-CG2 4.25Å; I336-V372 HydrophobicContact CG1-CG2 4.22Å; I336-T375 HydrophobicContact CG2-CG2 3.94Å; I336-T375 WeakPolarHBondContact CG2-OG1 3.41Å
337	K	97.9	Very high	97.6	Very high	114 Å²	114	48.6 Å²	48.6	50%	0.496	23%	0.227	S	C	.	.	H	α-helix	trans	-60.4	-30.4	176.7	-76.7	176	-179.5	167	0	113.4	E333 T339 I340	E333-K337 VanDerWaalsContact CD-NZ 3.3Å; E333-K337 HydrophobicContact CG-CD 4.34Å; E333-K337 WeakPolarHBondContact O-CG 3.31Å; E333-K337 PolarHBondContact O-N 2.9Å; E333-K337 WeakPolarHBondContact OE1-CE 3.19Å; E333-K337 IonicContact OE1-NZ 3.47Å; E333-K337 PolarHBondContact OE1-NZ 2.8Å; E333-K337 IonicContact OE2-NZ 3.27Å; K337-T339 PolarHBondContact O-N 3.17Å; K337-I340 HydrophobicContact CB-CD1 4.5Å; K337-I340 HydrophobicContact CG-CD1 4.33Å; K337-I340 PolarHBondContact O-N 3.48Å
338	R	97.6	Very high	97.5	Very high	99 Å²	99	53.1 Å²	53.1	37%	0.374	25%	0.247	S	C	.	.	H	α-helix	trans	-64.3	-19.7	176.5	-76.3	167.3	61.6	-165.8	-0.8	113.2	D247 F249 L250 S334 L335 I336 P342	D247-R338 IonicContact OD1-NH2 2.66Å; D247-R338 IonicContact OD2-CZ 3.91Å; D247-R338 IonicContact OD2-NE 2.77Å; D247-R338 IonicContact OD2-NH2 3.92Å; D247-R338 PolarHBondContact OD2-NH2 2.94Å; F249-R338 PolarHBondContact O-NH2 3.25Å; L250-R338 HydrophobicContact CD2-CB 3.82Å; S334-R338 WeakPolarHBondContact O-CG 3.43Å; S334-R338 PolarHBondContact O-N 3Å; L335-R338 WeakPolarHBondContact O-CB 3.39Å; L335-R338 PolarHBondContact O-N 2.77Å; I336-R338 PolarHBondContact O-N 2.66Å; R338-P342 WeakPolarHBondContact O-CD 3.28Å
339	T	98	Very high	97.3	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-82.8	-19.4	179.1	73.4	0	0	0	0	113.5	Y220 L222 F227 L250 I336 K337 P342 C343	Y220-T339 WeakPolarHBondContact OH-CB 3.4Å; Y220-T339 VanDerWaalsContact OH-CG2 3.31Å; Y220-T339 WeakPolarHBondContact OH-CG2 3.2Å; Y220-T339 PolarHBondContact OH-OG1 3.09Å; L222-T339 HydrophobicContact CD1-CG2 4.39Å; F227-T339 HydrophobicContact CD1-CG2 3.96Å; F227-T339 HydrophobicContact CD2-CG2 4.19Å; F227-T339 VanDerWaalsContact CE1-CA 3.43Å; F227-T339 VanDerWaalsContact CE1-CB 3.5Å; F227-T339 HydrophobicContact CE1-CG2 4.02Å; F227-T339 WeakPolarHBondContact CE1-O 3.21Å; F227-T339 HydrophobicContact CE2-CG2 4.3Å; F227-T339 HydrophobicContact CG-CG2 4.05Å; F227-T339 HydrophobicContact CZ-CG2 4.22Å; L250-T339 HydrophobicContact CD2-CG2 3.78Å; I336-T339 PolarHBondContact O-N 3.38Å; I336-T339 PolarHBondContact O-OG1 3.11Å; K337-T339 PolarHBondContact O-N 3.17Å; T339-P342 WeakPolarHBondContact O-CD 3.2Å; T339-C343 PolarHBondContact O-N 2.76Å; T339-C343 PolarHBondContact O-SG 2.93Å
340	I	98.1	Very high	97.2	Very high	54 Å²	54	53.7 Å²	53.7	28%	0.277	25%	0.253	S	S	.	.	H	α-helix	trans	-66.6	-47.6	-176.1	-59.9	173	0	0	0	111.6	K337 C343 N344 T375 I379	K337-I340 HydrophobicContact CB-CD1 4.5Å; K337-I340 HydrophobicContact CG-CD1 4.33Å; K337-I340 PolarHBondContact O-N 3.48Å; I340-C343 WeakPolarHBondContact O-CB 3.38Å; I340-C343 PolarHBondContact O-N 2.88Å; I340-C343 VanDerWaalsContact O-N 3.16Å; I340-N344 PolarHBondContact O-N 3.13Å; I340-T375 HydrophobicContact CD1-CG2 4.12Å; I340-T375 HydrophobicContact CG1-CG2 3.87Å; I340-I379 HydrophobicContact CB-CD1 4.39Å; I340-I379 HydrophobicContact CG1-CD1 4.1Å; I340-I379 HydrophobicContact CG2-CD1 4.46Å; I340-I379 HydrophobicContact CG2-CG1 4.34Å
341	E	96.9	Very high	97.1	Very high	100 Å²	100	54.6 Å²	54.6	47%	0.467	26%	0.263	S	S	.	.	H	α-helix	trans	-66	-43.1	-174	-179.9	62.8	-170.7	0	0	113.2	C343 N344 K345	E341-C343 VanDerWaalsContact C-N 3.28Å; E341-C343 PolarHBondContact O-N 2.92Å; E341-N344 PolarHBondContact O-N 3.08Å; E341-K345 HydrophobicContact CG-CD 4.32Å; E341-K345 WeakPolarHBondContact O-CG 3.41Å; E341-K345 PolarHBondContact O-N 2.87Å; E341-K345 WeakPolarHBondContact OE1-CE 3.36Å; E341-K345 IonicContact OE1-NZ 3.96Å
342	P	95.8	Very high	97	Very high	12 Å²	12	54.7 Å²	54.7	8%	0.078	27%	0.265	C	S	.	.	H	α-helix	trans	-56.8	-38.4	170	-26.2	34.6	0	0	0	113.3	F227 I229 N245 R338 T339 K345 A346	F227-P342 HydrophobicContact CD1-CB 4.5Å; F227-P342 HydrophobicContact CD1-CG 4.33Å; F227-P342 HydrophobicContact CE1-CB 3.77Å; F227-P342 HydrophobicContact CE1-CG 3.88Å; I229-P342 HydrophobicContact CG2-CB 3.88Å; N245-P342 HydrophobicContact CB-CB 4.04Å; N245-P342 WeakPolarHBondContact OD1-CB 3.42Å; R338-P342 WeakPolarHBondContact O-CD 3.28Å; T339-P342 WeakPolarHBondContact O-CD 3.2Å; P342-K345 PolarHBondContact O-N 3.46Å; P342-A346 WeakPolarHBondContact O-CB 3.14Å; P342-A346 PolarHBondContact O-N 2.91Å
343	C	97.6	Very high	96.9	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63.6	-45.3	176.5	-63.7	0	0	0	0	112	I229 T339 I340 E341 K345 A346 L347 I379 F380	I229-C343 HydrophobicContact CG1-CB 4.38Å; T339-C343 PolarHBondContact O-N 2.76Å; T339-C343 PolarHBondContact O-SG 2.93Å; I340-C343 WeakPolarHBondContact O-CB 3.38Å; I340-C343 PolarHBondContact O-N 2.88Å; I340-C343 VanDerWaalsContact O-N 3.16Å; E341-C343 VanDerWaalsContact C-N 3.28Å; E341-C343 PolarHBondContact O-N 2.92Å; C343-K345 VanDerWaalsContact C-N 3.32Å; C343-K345 PolarHBondContact O-N 2.85Å; C343-A346 PolarHBondContact O-N 3.32Å; C343-L347 WeakPolarHBondContact O-CG 3.42Å; C343-L347 PolarHBondContact O-N 2.93Å; C343-I379 HydrophobicContact CB-CD1 4.25Å; C343-I379 HydrophobicContact CB-CG2 3.9Å; C343-F380 HydrophobicContact CB-CZ 4.2Å
344	N	97.4	Very high	96.8	Very high	71 Å²	71	60 Å²	60	38%	0.38	29%	0.291	S	S	.	.	H	α-helix	trans	-61.8	-40.7	176.6	-69.1	-28.9	0	0	0	111.8	I340 E341 K348	I340-N344 PolarHBondContact O-N 3.13Å; E341-N344 PolarHBondContact O-N 3.08Å; N344-K348 WeakPolarHBondContact O-CB 3.47Å; N344-K348 PolarHBondContact O-N 3.22Å
345	K	95.4	Very high	96.7	Very high	80 Å²	80	61.2 Å²	61.2	35%	0.348	30%	0.3	S	S	.	.	H	α-helix	trans	-64.2	-44.5	175.3	-73.8	174.9	-179.6	167.6	0	111.9	E341 P342 C343 K348 D349	E341-K345 HydrophobicContact CG-CD 4.32Å; E341-K345 WeakPolarHBondContact O-CG 3.41Å; E341-K345 PolarHBondContact O-N 2.87Å; E341-K345 WeakPolarHBondContact OE1-CE 3.36Å; E341-K345 IonicContact OE1-NZ 3.96Å; P342-K345 PolarHBondContact O-N 3.46Å; C343-K345 VanDerWaalsContact C-N 3.32Å; C343-K345 PolarHBondContact O-N 2.85Å; K345-K348 PolarHBondContact O-N 3.49Å; K345-D349 VanDerWaalsContact O-CB 3.32Å; K345-D349 WeakPolarHBondContact O-CB 3.46Å; K345-D349 PolarHBondContact O-N 3.45Å
346	A	95.9	Very high	96.6	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-62	-45.7	177.8	0	0	0	0	0	111.5	I229 V231 S243 N245 P342 C343 K348 D349 A350	I229-A346 HydrophobicContact CG1-CB 4.15Å; I229-A346 HydrophobicContact CG2-CB 4.04Å; V231-A346 HydrophobicContact CG2-CB 4.31Å; S243-A346 WeakPolarHBondContact CB-O 3.18Å; S243-A346 VanDerWaalsContact OG-C 3.27Å; S243-A346 WeakPolarHBondContact OG-CA 3.07Å; S243-A346 PolarHBondContact OG-O 2.9Å; N245-A346 HydrophobicContact CB-CB 4.26Å; P342-A346 WeakPolarHBondContact O-CB 3.14Å; P342-A346 PolarHBondContact O-N 2.91Å; C343-A346 PolarHBondContact O-N 3.32Å; A346-K348 PolarHBondContact O-N 2.85Å; A346-D349 PolarHBondContact O-N 2.92Å; A346-A350 WeakPolarHBondContact O-CB 3Å; A346-A350 PolarHBondContact O-N 3.38Å
347	L	97.3	Very high	96.5	Very high	8 Å²	8	64.5 Å²	64.5	4%	0.042	32%	0.318	C	S	.	.	H	α-helix	trans	-58.5	-46.2	174.7	-74	170.7	0	0	0	112.1	V231 C343 A350 E351 V352 P354 I357 F380	V231-L347 HydrophobicContact CG2-CD2 4.42Å; C343-L347 WeakPolarHBondContact O-CG 3.42Å; C343-L347 PolarHBondContact O-N 2.93Å; L347-A350 PolarHBondContact O-N 3.15Å; L347-E351 PolarHBondContact O-N 3.37Å; L347-V352 HydrophobicContact CD2-CG2 3.84Å; L347-V352 PolarHBondContact O-N 2.91Å; L347-V352 VanDerWaalsContact O-N 3.13Å; L347-P354 HydrophobicContact CD1-CG 3.92Å; L347-I357 HydrophobicContact CD2-CD1 3.92Å; L347-I357 HydrophobicContact CD2-CG1 3.89Å; L347-F380 HydrophobicContact CD1-CD1 4.28Å; L347-F380 HydrophobicContact CD1-CE1 3.92Å; L347-F380 HydrophobicContact CD2-CD1 4.4Å; L347-F380 HydrophobicContact CD2-CE1 3.95Å; L347-F380 HydrophobicContact CG-CE1 4.08Å
348	K	96.6	Very high	96.3	Very high	166 Å²	166	59.8 Å²	59.8	72%	0.722	30%	0.302	S	S	*	.	H	α-helix	trans	-62.2	-46.1	177.7	-176.1	-178.2	178.6	-177.5	0	112.1	N344 K345 A346 A350 E351	N344-K348 WeakPolarHBondContact O-CB 3.47Å; N344-K348 PolarHBondContact O-N 3.22Å; K345-K348 PolarHBondContact O-N 3.49Å; A346-K348 PolarHBondContact O-N 2.85Å; K348-A350 VanDerWaalsContact C-N 3.3Å; K348-A350 PolarHBondContact O-N 2.91Å; K348-E351 PolarHBondContact O-N 3.29Å; K348-E351 VanDerWaalsContact O-N 3.1Å
349	D	94.4	Very high	96.2	Very high	46 Å²	46	56.7 Å²	56.7	25%	0.246	29%	0.291	C	S	.	.	H	α-helix	trans	-69.1	-29	-178.4	-73	-6.6	0	0	0	112.3	K345 A346 E351 R437 N438	K345-D349 VanDerWaalsContact O-CB 3.32Å; K345-D349 WeakPolarHBondContact O-CB 3.46Å; K345-D349 PolarHBondContact O-N 3.45Å; A346-D349 PolarHBondContact O-N 2.92Å; D349-E351 VanDerWaalsContact C-N 3.26Å; D349-R437 VanDerWaalsContact CG-NH2 3.32Å; D349-R437 IonicContact OD1-CZ 3.77Å; D349-R437 IonicContact OD1-NE 3.82Å; D349-R437 IonicContact OD1-NH2 2.86Å; D349-R437 PolarHBondContact OD1-NH2 3.23Å; D349-R437 IonicContact OD2-CZ 3.17Å; D349-R437 IonicContact OD2-NE 2.76Å; D349-R437 PolarHBondContact OD2-NE 3.49Å; D349-R437 IonicContact OD2-NH2 2.93Å; D349-R437 PolarHBondContact OD2-NH2 3.3Å; D349-N438 WeakPolarHBondContact CB-ND2 3.24Å; D349-N438 PolarHBondContact OD2-ND2 3.2Å
350	A	95.6	Very high	96.1	Very high	12 Å²	12	56.7 Å²	56.7	10%	0.099	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-1.8	172.7	0	0	0	0	0	113.3	V231 K242 S243 A346 L347 K348 V352	V231-A350 HydrophobicContact CB-CB 3.92Å; V231-A350 HydrophobicContact CG1-CB 3.88Å; V231-A350 HydrophobicContact CG2-CB 4.34Å; K242-A350 HydrophobicContact CB-CB 3.64Å; S243-A350 WeakPolarHBondContact OG-CB 3.47Å; A346-A350 WeakPolarHBondContact O-CB 3Å; A346-A350 PolarHBondContact O-N 3.38Å; L347-A350 PolarHBondContact O-N 3.15Å; K348-A350 VanDerWaalsContact C-N 3.3Å; K348-A350 PolarHBondContact O-N 2.91Å; A350-V352 HydrophobicContact CB-CG2 3.84Å; A350-V352 PolarHBondContact O-N 2.85Å
351	E	96.4	Very high	96.1	Very high	182 Å²	182	54.2 Å²	54.2	85%	0.85	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	32.8	-177.4	-55.9	-173.6	167	0	0	114	L347 K348 D349	L347-E351 PolarHBondContact O-N 3.37Å; K348-E351 PolarHBondContact O-N 3.29Å; K348-E351 VanDerWaalsContact O-N 3.1Å; D349-E351 VanDerWaalsContact C-N 3.26Å
352	V	95.9	Very high	96.1	Very high	32 Å²	32	50.2 Å²	50.2	19%	0.194	26%	0.26	C	S	.	.			trans	-119	152.4	179.4	-67.2	0	0	0	0	112	V231 L347 A350 D356 I357	V231-V352 HydrophobicContact CG1-CG2 4.05Å; L347-V352 HydrophobicContact CD2-CG2 3.84Å; L347-V352 PolarHBondContact O-N 2.91Å; L347-V352 VanDerWaalsContact O-N 3.13Å; A350-V352 HydrophobicContact CB-CG2 3.84Å; A350-V352 PolarHBondContact O-N 2.85Å; V352-D356 HydrophobicContact CB-CB 4.17Å; V352-D356 HydrophobicContact CG1-CB 4.46Å; V352-I357 HydrophobicContact CG2-CD1 4.17Å
353	K	96	Very high	96.2	Very high	142 Å²	142	49.8 Å²	49.8	62%	0.617	26%	0.257	S	S	*	.			trans	-90.2	158.2	170.7	-62.1	175.9	-176.5	174	0	110.2	S355 D356	K353-S355 PolarHBondContact O-N 3.19Å; K353-S355 VanDerWaalsContact O-N 3.11Å; K353-D356 WeakPolarHBondContact CB-OD2 3.34Å; K353-D356 PolarHBondContact N-OD2 2.84Å; K353-D356 WeakPolarHBondContact O-CB 3.08Å; K353-D356 PolarHBondContact O-N 3.13Å
354	P	95.9	Very high	96.1	Very high	53 Å²	53	50.2 Å²	50.2	34%	0.344	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-46.7	-39.3	168.9	-31.9	36.5	0	0	0	114.2	L347 D356 I357	L347-P354 HydrophobicContact CD1-CG 3.92Å; P354-D356 PolarHBondContact O-N 2.92Å; P354-I357 WeakPolarHBondContact O-CB 3.3Å; P354-I357 PolarHBondContact O-N 3.01Å
355	S	94.8	Very high	96.1	Very high	97 Å²	97	48.4 Å²	48.4	68%	0.678	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-65.6	-21.2	179	55.4	0	0	0	0	114.8	K353 I357	K353-S355 PolarHBondContact O-N 3.19Å; K353-S355 VanDerWaalsContact O-N 3.11Å; S355-I357 VanDerWaalsContact C-N 3.3Å
356	D	96	Very high	96.2	Very high	80 Å²	80	45.1 Å²	45.1	43%	0.428	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-84.6	-12.1	-178.4	-52.1	-29.3	0	0	0	111	V352 K353 P354 G358	V352-D356 HydrophobicContact CB-CB 4.17Å; V352-D356 HydrophobicContact CG1-CB 4.46Å; K353-D356 WeakPolarHBondContact CB-OD2 3.34Å; K353-D356 PolarHBondContact N-OD2 2.84Å; K353-D356 WeakPolarHBondContact O-CB 3.08Å; K353-D356 PolarHBondContact O-N 3.13Å; P354-D356 PolarHBondContact O-N 2.92Å; D356-G358 PolarHBondContact O-N 3.46Å
357	I	96.6	Very high	96.3	Very high	6 Å²	6	45.2 Å²	45.2	3%	0.031	25%	0.247	C	C	.	.			trans	-74.9	108.8	176.7	-56.6	-58.4	0	0	0	110	T216 A218 V231 L347 V352 P354 S355 E359 I360 F380	T216-I357 HydrophobicContact CG2-CD1 3.89Å; A218-I357 HydrophobicContact CB-CD1 4.36Å; A218-I357 HydrophobicContact CB-CG2 3.84Å; V231-I357 HydrophobicContact CG1-CD1 4.01Å; L347-I357 HydrophobicContact CD2-CD1 3.92Å; L347-I357 HydrophobicContact CD2-CG1 3.89Å; V352-I357 HydrophobicContact CG2-CD1 4.17Å; P354-I357 WeakPolarHBondContact O-CB 3.3Å; P354-I357 PolarHBondContact O-N 3.01Å; S355-I357 VanDerWaalsContact C-N 3.3Å; I357-E359 WeakPolarHBondContact CG2-O 3.44Å; I357-I360 HydrophobicContact CG2-CG1 3.99Å; I357-F380 HydrophobicContact CG1-CD1 4.04Å; I357-F380 HydrophobicContact CG1-CE1 4.38Å
358	G	94.6	Very high	96.3	Very high	15 Å²	15	50.6 Å²	50.6	16%	0.155	27%	0.267	C	S	.	.			trans	-75.2	-28.1	179.8	0	0	0	0	0	114.1	K215 T216 D356 K382	K215-G358 WeakPolarHBondContact CE-O 3.42Å; K215-G358 PolarHBondContact NZ-O 2.88Å; T216-G358 WeakPolarHBondContact O-CA 3.1Å; T216-G358 PolarHBondContact O-N 3.01Å; D356-G358 PolarHBondContact O-N 3.46Å; G358-K382 PolarHBondContact O-NZ 3.2Å
359	E	95.1	Very high	96.4	Very high	33 Å²	33	42.9 Å²	42.9	15%	0.154	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	147	174.1	-154	88.5	179.3	0	0	111	Y207 K215 T216 I217 A218 I357 I361 S385	Y207-E359 HydrophobicContact CE2-CG 3.92Å; Y207-E359 WeakPolarHBondContact OH-CB 3.45Å; Y207-E359 WeakPolarHBondContact OH-CG 3.1Å; K215-E359 HydrophobicContact CD-CB 4.05Å; K215-E359 IonicContact NZ-OE2 2.78Å; K215-E359 PolarHBondContact NZ-OE2 3.44Å; T216-E359 PolarHBondContact O-N 3.04Å; I217-E359 CarbonylContact C-O 3.48Å; I217-E359 VanDerWaalsContact CA-O 3.23Å; I217-E359 WeakPolarHBondContact CA-O 3.18Å; I217-E359 HydrophobicContact CB-CB 4.44Å; I217-E359 HydrophobicContact CG2-CB 3.76Å; A218-E359 PolarHBondContact N-O 2.87Å; I357-E359 WeakPolarHBondContact CG2-O 3.44Å; E359-I361 HydrophobicContact CB-CD1 4.39Å; E359-I361 HydrophobicContact CG-CD1 3.74Å; E359-S385 WeakPolarHBondContact OE1-CB 3.24Å; E359-S385 PolarHBondContact OE1-OG 2.87Å
360	I	97	Very high	96.6	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	125.1	171.4	-52.1	153.6	0	0	0	107.9	A218 I357 V376 F380 K382 P384 S385	A218-I360 CarbonylContact O-C 3.56Å; A218-I360 WeakPolarHBondContact O-CA 3.48Å; I357-I360 HydrophobicContact CG2-CG1 3.99Å; I360-V376 HydrophobicContact CD1-CG1 4.47Å; I360-V376 HydrophobicContact CG2-CG1 3.67Å; I360-F380 HydrophobicContact CD1-CB 3.35Å; I360-F380 HydrophobicContact CD1-CD2 4.05Å; I360-F380 HydrophobicContact CD1-CG 3.85Å; I360-F380 HydrophobicContact CG1-CB 4.02Å; I360-F380 HydrophobicContact CG1-CD2 4.31Å; I360-F380 HydrophobicContact CG1-CG 4.08Å; I360-F380 HydrophobicContact CG2-CD2 4.42Å; I360-K382 HydrophobicContact CD1-CB 3.9Å; I360-K382 WeakPolarHBondContact CD1-O 3.41Å; I360-P384 HydrophobicContact CB-CB 4.23Å; I360-P384 HydrophobicContact CG2-CB 4.26Å; I360-P384 HydrophobicContact CG2-CG 4.38Å; I360-S385 WeakPolarHBondContact O-CB 3.35Å; I360-S385 PolarHBondContact O-N 3.24Å
361	I	96.7	Very high	96.7	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	123.9	179.4	-48.8	-54.6	0	0	0	108.2	Y207 I217 A218 V219 Y220 E359 V363 V388	Y207-I361 HydrophobicContact CD2-CD1 3.33Å; Y207-I361 HydrophobicContact CD2-CG1 4.15Å; Y207-I361 HydrophobicContact CE2-CD1 3.42Å; Y207-I361 VanDerWaalsContact CE2-CD1 3.42Å; Y207-I361 HydrophobicContact CE2-CG1 4.49Å; Y207-I361 HydrophobicContact CG-CD1 3.91Å; Y207-I361 HydrophobicContact CG-CG1 4.24Å; I217-I361 HydrophobicContact CD1-CG1 4.38Å; A218-I361 PolarHBondContact O-N 3.36Å; V219-I361 HydrophobicContact CG2-CB 4.24Å; V219-I361 HydrophobicContact CG2-CG1 4.42Å; Y220-I361 PolarHBondContact N-O 3.03Å; E359-I361 HydrophobicContact CB-CD1 4.39Å; E359-I361 HydrophobicContact CG-CD1 3.74Å; I361-V363 HydrophobicContact CG2-CG2 4.04Å; I361-V388 HydrophobicContact CG2-CB 4.31Å; I361-V388 HydrophobicContact CG2-CG2 4.13Å
362	L	97.8	Very high	96.8	Very high	17 Å²	17	35.8 Å²	35.8	9%	0.089	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	129.1	172.7	-61.5	-178.1	0	0	0	109.6	Y220 T367 Q373 V376 P384	Y220-L362 HydrophobicContact CD1-CD2 4.09Å; Y220-L362 HydrophobicContact CG-CD2 4.32Å; Y220-L362 WeakPolarHBondContact O-CA 3.48Å; L362-T367 HydrophobicContact CB-CG2 4.26Å; L362-T367 HydrophobicContact CD2-CG2 4.46Å; L362-Q373 HydrophobicContact CD1-CG 3.82Å; L362-V376 HydrophobicContact CD2-CB 4.45Å; L362-V376 HydrophobicContact CD2-CG1 4.08Å; L362-V376 HydrophobicContact CD2-CG2 4.11Å; L362-P384 HydrophobicContact CD1-CB 3.73Å; L362-P384 HydrophobicContact CD1-CG 3.97Å; L362-P384 HydrophobicContact CD2-CB 4.16Å; L362-P384 HydrophobicContact CD2-CG 4.23Å; L362-P384 HydrophobicContact CG-CB 3.62Å; L362-P384 HydrophobicContact CG-CG 4.12Å
363	V	96.9	Very high	96.9	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	147.6	179.5	-174.6	0	0	0	0	108.9	A203 V219 Y220 D221 L222 I361 T367 V394	A203-V363 HydrophobicContact CB-CG1 4.35Å; A203-V363 HydrophobicContact CB-CG2 3.51Å; V219-V363 HydrophobicContact CG1-CG2 3.75Å; Y220-V363 PolarHBondContact O-N 3.34Å; D221-V363 WeakPolarHBondContact CA-O 3.13Å; D221-V363 HydrophobicContact CB-CB 3.96Å; D221-V363 HydrophobicContact CB-CG1 4.39Å; D221-V363 WeakPolarHBondContact OD2-CG1 3.46Å; L222-V363 PolarHBondContact N-O 3.05Å; I361-V363 HydrophobicContact CG2-CG2 4.04Å; V363-T367 WeakPolarHBondContact O-CG2 3.45Å; V363-V394 HydrophobicContact CG1-CG2 3.45Å; V363-V394 VanDerWaalsContact CG1-CG2 3.45Å
364	G	96.6	Very high	96.9	Very high	10 Å²	10	34.1 Å²	34.1	10%	0.103	19%	0.192	C	C	.	.	S	Bend	trans	85.8	137.5	-179.8	0	0	0	0	0	113.4	L222 M366 T367 P390	L222-G364 CarbonylContact O-C 3.53Å; G364-M366 PolarHBondContact O-N 3.06Å; G364-M366 VanDerWaalsContact O-N 3.09Å; G364-T367 WeakPolarHBondContact O-CB 3.13Å; G364-T367 PolarHBondContact O-N 3.39Å; G364-T367 PolarHBondContact O-OG1 3.23Å; G364-P390 PolarHBondContact N-O 3.39Å
365	G	96	Very high	97	Very high	33 Å²	33	32.3 Å²	32.3	34%	0.34	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-60.3	-23.3	-171.7	0	0	0	0	0	115.4	T367 R368	G365-T367 PolarHBondContact O-N 3.25Å; G365-R368 VanDerWaalsContact O-CB 3.26Å; G365-R368 WeakPolarHBondContact O-CB 3.32Å; G365-R368 VanDerWaalsContact O-CG 3.29Å; G365-R368 WeakPolarHBondContact O-CG 3.29Å; G365-R368 PolarHBondContact O-N 3.42Å
366	M	98	Very high	97.2	Very high	11 Å²	11	27.7 Å²	27.7	5%	0.054	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-73.2	-17.6	179.1	-164.8	65.3	-102.4	0	0	112.2	L222 F255 K293 G364 R368 M369	L222-M366 HydrophobicContact CB-CB 4.42Å; L222-M366 HydrophobicContact CD2-CB 3.98Å; L222-M366 HydrophobicContact CD2-CG 3.67Å; L222-M366 HydrophobicContact CG-CB 3.84Å; L222-M366 HydrophobicContact CG-CG 3.97Å; L222-M366 VanDerWaalsContact O-CB 3.25Å; L222-M366 WeakPolarHBondContact O-CB 3.46Å; L222-M366 PolarHBondContact O-N 3.47Å; F255-M366 HydrophobicContact CB-SD 4.18Å; F255-M366 HydrophobicContact CD1-CE 3.9Å; F255-M366 HydrophobicContact CD1-SD 3.89Å; F255-M366 HydrophobicContact CD2-CG 4.35Å; F255-M366 HydrophobicContact CD2-SD 4.16Å; F255-M366 HydrophobicContact CE1-CE 4.13Å; F255-M366 HydrophobicContact CE1-CG 4.46Å; F255-M366 HydrophobicContact CE1-SD 4.3Å; F255-M366 HydrophobicContact CE2-CG 4.23Å; F255-M366 HydrophobicContact CG-CE 4.44Å; F255-M366 HydrophobicContact CG-SD 3.82Å; F255-M366 HydrophobicContact CZ-CG 4.29Å; K293-M366 HydrophobicContact CD-CE 4.12Å; K293-M366 HydrophobicContact CD-SD 3.9Å; K293-M366 HydrophobicContact CG-CE 4.4Å; G364-M366 PolarHBondContact O-N 3.06Å; G364-M366 VanDerWaalsContact O-N 3.09Å; M366-R368 PolarHBondContact O-N 3.47Å; M366-M369 HydrophobicContact CE-CB 3.57Å; M366-M369 HydrophobicContact CE-CG 4.28Å; M366-M369 HydrophobicContact CE-SD 3.86Å; M366-M369 PolarHBondContact O-N 3.18Å
367	T	98.1	Very high	97.2	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.012	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-69.3	-9.9	170.8	66.7	0	0	0	0	113.7	Y220 L222 L362 V363 G364 G365 M369 Q373	Y220-T367 HydrophobicContact CD1-CG2 3.89Å; Y220-T367 HydrophobicContact CE1-CG2 4.09Å; L222-T367 HydrophobicContact CB-CG2 3.82Å; L362-T367 HydrophobicContact CB-CG2 4.26Å; L362-T367 HydrophobicContact CD2-CG2 4.46Å; V363-T367 WeakPolarHBondContact O-CG2 3.45Å; G364-T367 WeakPolarHBondContact O-CB 3.13Å; G364-T367 PolarHBondContact O-N 3.39Å; G364-T367 PolarHBondContact O-OG1 3.23Å; G365-T367 PolarHBondContact O-N 3.25Å; T367-M369 PolarHBondContact O-N 2.82Å; T367-Q373 VanDerWaalsContact O-CG 3.23Å; T367-Q373 WeakPolarHBondContact O-CG 3.37Å; T367-Q373 PolarHBondContact O-NE2 3.34Å
368	R	97.6	Very high	97.3	Very high	120 Å²	120	33.8 Å²	33.8	45%	0.453	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-69.9	-16.8	173.2	-62.8	176.8	174.3	-77.3	2.2	112.7	G365 M366 P370 D391	G365-R368 VanDerWaalsContact O-CB 3.26Å; G365-R368 WeakPolarHBondContact O-CB 3.32Å; G365-R368 VanDerWaalsContact O-CG 3.29Å; G365-R368 WeakPolarHBondContact O-CG 3.29Å; G365-R368 PolarHBondContact O-N 3.42Å; M366-R368 PolarHBondContact O-N 3.47Å; R368-P370 WeakPolarHBondContact O-CD 3.43Å; R368-D391 IonicContact CZ-OD2 3.96Å; R368-D391 IonicContact NE-OD2 2.85Å; R368-D391 PolarHBondContact NE-OD2 3.15Å; R368-D391 IonicContact NH2-OD2 3.52Å; R368-D391 PolarHBondContact NH2-OD2 3.16Å
369	M	98.3	Very high	97.3	Very high	5 Å²	5	34.1 Å²	34.1	3%	0.025	17%	0.169	C	C	.	.	S	Bend	trans	-66.7	123.6	176.4	179.1	174.6	-172.5	0	0	110.7	F255 L328 E329 V332 I336 M366 T367 K371 V372 Q373	F255-M369 HydrophobicContact CD1-SD 4.14Å; F255-M369 HydrophobicContact CE1-SD 3.8Å; L328-M369 HydrophobicContact CD2-CE 4.46Å; L328-M369 HydrophobicContact CG-CE 4.34Å; E329-M369 HydrophobicContact CG-CE 3.72Å; V332-M369 HydrophobicContact CG2-CE 3.69Å; V332-M369 HydrophobicContact CG2-SD 4.28Å; I336-M369 HydrophobicContact CD1-CE 4.01Å; I336-M369 HydrophobicContact CD1-SD 4.08Å; M366-M369 HydrophobicContact CE-CB 3.57Å; M366-M369 HydrophobicContact CE-CG 4.28Å; M366-M369 HydrophobicContact CE-SD 3.86Å; M366-M369 PolarHBondContact O-N 3.18Å; T367-M369 PolarHBondContact O-N 2.82Å; M369-K371 VanDerWaalsContact C-N 3.25Å; M369-K371 HydrophobicContact CE-CB 3.9Å; M369-K371 HydrophobicContact CG-CB 4.29Å; M369-K371 PolarHBondContact O-N 3.47Å; M369-K371 VanDerWaalsContact O-N 3.15Å; M369-V372 HydrophobicContact CB-CB 4.31Å; M369-V372 HydrophobicContact CB-CG2 3.92Å; M369-V372 HydrophobicContact CG-CG2 4.22Å; M369-V372 WeakPolarHBondContact O-CB 3.24Å; M369-V372 PolarHBondContact O-N 3.03Å; M369-V372 HydrophobicContact SD-CG2 4.15Å; M369-Q373 PolarHBondContact O-N 3.44Å
370	P	97.9	Very high	97.4	Very high	39 Å²	39	32.8 Å²	32.8	25%	0.253	16%	0.162	S	C	.	.	H	α-helix	trans	-54	-39	-178.2	-30.4	36.3	0	0	0	113.9	S297 R368 V372 Q373 E374	S297-P370 WeakPolarHBondContact O-CG 2.87Å; R368-P370 WeakPolarHBondContact O-CD 3.43Å; P370-V372 VanDerWaalsContact C-N 3.3Å; P370-V372 PolarHBondContact O-N 2.97Å; P370-Q373 PolarHBondContact O-N 2.8Å; P370-E374 PolarHBondContact O-N 3.06Å
371	K	98.2	Very high	97.4	Very high	52 Å²	52	36.2 Å²	36.2	23%	0.226	20%	0.198	C	C	.	.	H	α-helix	trans	-65.7	-31.7	179	-165.4	56.9	171.3	-172.8	0	113.8	E329 I336 M369 E374 T375	E329-K371 HydrophobicContact CG-CB 3.91Å; E329-K371 HydrophobicContact CG-CG 4.11Å; I336-K371 HydrophobicContact CD1-CB 3.89Å; I336-K371 HydrophobicContact CD1-CG 3.64Å; M369-K371 VanDerWaalsContact C-N 3.25Å; M369-K371 HydrophobicContact CE-CB 3.9Å; M369-K371 HydrophobicContact CG-CB 4.29Å; M369-K371 PolarHBondContact O-N 3.47Å; M369-K371 VanDerWaalsContact O-N 3.15Å; K371-E374 WeakPolarHBondContact CD-OE2 3.48Å; K371-E374 IonicContact NZ-OE1 3.95Å; K371-E374 PolarHBondContact NZ-OE1 3.43Å; K371-E374 IonicContact NZ-OE2 2.82Å; K371-E374 PolarHBondContact NZ-OE2 3.48Å; K371-T375 WeakPolarHBondContact O-CB 3.47Å; K371-T375 PolarHBondContact O-N 2.96Å; K371-T375 PolarHBondContact O-OG1 2.83Å
372	V	98.2	Very high	97.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-67.4	-46.6	174	175	0	0	0	0	109.1	Y220 L222 I336 M369 P370 E374 T375 V376	Y220-V372 HydrophobicContact CE1-CG1 3.78Å; L222-V372 HydrophobicContact CD2-CG1 4.14Å; L222-V372 HydrophobicContact CD2-CG2 4.13Å; I336-V372 HydrophobicContact CD1-CG2 4.25Å; I336-V372 HydrophobicContact CG1-CG2 4.22Å; M369-V372 HydrophobicContact CB-CB 4.31Å; M369-V372 HydrophobicContact CB-CG2 3.92Å; M369-V372 HydrophobicContact CG-CG2 4.22Å; M369-V372 WeakPolarHBondContact O-CB 3.24Å; M369-V372 PolarHBondContact O-N 3.03Å; M369-V372 HydrophobicContact SD-CG2 4.15Å; P370-V372 VanDerWaalsContact C-N 3.3Å; P370-V372 PolarHBondContact O-N 2.97Å; V372-E374 PolarHBondContact O-N 2.77Å; V372-T375 WeakPolarHBondContact O-CB 3.25Å; V372-T375 PolarHBondContact O-N 2.76Å; V372-T375 VanDerWaalsContact O-N 3.12Å; V372-V376 WeakPolarHBondContact O-CG2 3.38Å; V372-V376 PolarHBondContact O-N 3.03Å
373	Q	97.8	Very high	97.2	Very high	72 Å²	72	44.2 Å²	44.2	34%	0.336	24%	0.24	S	C	.	.	H	α-helix	trans	-60.7	-45.5	177.3	-58.6	-175.5	4.7	0	0	112	L362 T367 M369 P370 T375 V376 E377	L362-Q373 HydrophobicContact CD1-CG 3.82Å; T367-Q373 VanDerWaalsContact O-CG 3.23Å; T367-Q373 WeakPolarHBondContact O-CG 3.37Å; T367-Q373 PolarHBondContact O-NE2 3.34Å; M369-Q373 PolarHBondContact O-N 3.44Å; P370-Q373 PolarHBondContact O-N 2.8Å; Q373-T375 VanDerWaalsContact C-N 3.26Å; Q373-T375 PolarHBondContact O-N 2.79Å; Q373-V376 PolarHBondContact O-N 2.7Å; Q373-E377 WeakPolarHBondContact O-CG 3.14Å; Q373-E377 PolarHBondContact O-N 3.41Å
374	E	97.7	Very high	97.2	Very high	67 Å²	67	44.7 Å²	44.7	31%	0.313	24%	0.243	S	C	.	.	H	α-helix	trans	-58.5	-39.2	174.6	-172	-161.5	152.3	0	0	111.6	P370 K371 V372 K378	P370-E374 PolarHBondContact O-N 3.06Å; K371-E374 WeakPolarHBondContact CD-OE2 3.48Å; K371-E374 IonicContact NZ-OE1 3.95Å; K371-E374 PolarHBondContact NZ-OE1 3.43Å; K371-E374 IonicContact NZ-OE2 2.82Å; K371-E374 PolarHBondContact NZ-OE2 3.48Å; V372-E374 PolarHBondContact O-N 2.77Å; E374-K378 VanDerWaalsContact O-CG 3.29Å; E374-K378 WeakPolarHBondContact O-CG 3.34Å; E374-K378 PolarHBondContact O-N 2.87Å; E374-K378 WeakPolarHBondContact OE1-CE 3.38Å; E374-K378 IonicContact OE1-NZ 2.61Å; E374-K378 PolarHBondContact OE1-NZ 2.94Å
375	T	98	Very high	97	Very high	14 Å²	14	45.2 Å²	45.2	9%	0.086	25%	0.245	C	C	.	.	H	α-helix	trans	-68	-43.1	178.2	-58.6	0	0	0	0	111.1	I336 I340 K371 V372 Q373 K378 I379	I336-T375 HydrophobicContact CG2-CG2 3.94Å; I336-T375 WeakPolarHBondContact CG2-OG1 3.41Å; I340-T375 HydrophobicContact CD1-CG2 4.12Å; I340-T375 HydrophobicContact CG1-CG2 3.87Å; K371-T375 WeakPolarHBondContact O-CB 3.47Å; K371-T375 PolarHBondContact O-N 2.96Å; K371-T375 PolarHBondContact O-OG1 2.83Å; V372-T375 WeakPolarHBondContact O-CB 3.25Å; V372-T375 PolarHBondContact O-N 2.76Å; V372-T375 VanDerWaalsContact O-N 3.12Å; Q373-T375 VanDerWaalsContact C-N 3.26Å; Q373-T375 PolarHBondContact O-N 2.79Å; T375-K378 WeakPolarHBondContact O-CB 3.42Å; T375-K378 PolarHBondContact O-N 3.25Å; T375-I379 HydrophobicContact CG2-CD1 4.08Å; T375-I379 VanDerWaalsContact O-CG1 3.28Å; T375-I379 WeakPolarHBondContact O-CG1 3.46Å; T375-I379 PolarHBondContact O-N 2.77Å
376	V	97.6	Very high	96.7	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.8	-45.5	175	175.2	0	0	0	0	110.8	Y220 I360 L362 V372 Q373 K378 I379 F380 P384	Y220-V376 HydrophobicContact CD1-CG2 4Å; Y220-V376 HydrophobicContact CD2-CG2 3.7Å; Y220-V376 HydrophobicContact CE1-CG2 3.98Å; Y220-V376 HydrophobicContact CE2-CG2 3.65Å; Y220-V376 HydrophobicContact CG-CG2 3.87Å; I360-V376 HydrophobicContact CD1-CG1 4.47Å; I360-V376 HydrophobicContact CG2-CG1 3.67Å; L362-V376 HydrophobicContact CD2-CB 4.45Å; L362-V376 HydrophobicContact CD2-CG1 4.08Å; L362-V376 HydrophobicContact CD2-CG2 4.11Å; V372-V376 WeakPolarHBondContact O-CG2 3.38Å; V372-V376 PolarHBondContact O-N 3.03Å; Q373-V376 PolarHBondContact O-N 2.7Å; V376-K378 VanDerWaalsContact C-N 3.26Å; V376-K378 PolarHBondContact O-N 2.95Å; V376-I379 PolarHBondContact O-N 2.47Å; V376-I379 VanDerWaalsContact O-N 3.16Å; V376-F380 HydrophobicContact CG1-CD2 3.77Å; V376-F380 HydrophobicContact CG1-CE2 4.12Å; V376-F380 WeakPolarHBondContact O-CD2 3.43Å; V376-F380 PolarHBondContact O-N 3.24Å; V376-P384 HydrophobicContact CB-CG 4.42Å; V376-P384 HydrophobicContact CG1-CG 3.84Å
377	E	97.3	Very high	96.2	Very high	73 Å²	73	55.5 Å²	55.5	34%	0.341	29%	0.288	S	S	.	.	H	α-helix	trans	-57.1	-39.5	175.2	-76.8	-172.6	159.2	0	0	112.3	Q373 G381 T383 P384	Q373-E377 WeakPolarHBondContact O-CG 3.14Å; Q373-E377 PolarHBondContact O-N 3.41Å; E377-G381 WeakPolarHBondContact O-CA 3.5Å; E377-G381 PolarHBondContact O-N 2.88Å; E377-T383 WeakPolarHBondContact OE1-CA 3.18Å; E377-T383 WeakPolarHBondContact OE1-CB 3.44Å; E377-T383 WeakPolarHBondContact OE1-CG2 3.43Å; E377-T383 PolarHBondContact OE1-OG1 3.4Å; E377-P384 HydrophobicContact CG-CG 4.43Å
378	K	96.9	Very high	95.8	Very high	141 Å²	141	56.3 Å²	56.3	61%	0.613	29%	0.293	S	S	*	.	H	α-helix	trans	-68.5	-38.7	176.1	-74.3	172.9	-175.5	175.9	0	113.5	E374 T375 V376	E374-K378 VanDerWaalsContact O-CG 3.29Å; E374-K378 WeakPolarHBondContact O-CG 3.34Å; E374-K378 PolarHBondContact O-N 2.87Å; E374-K378 WeakPolarHBondContact OE1-CE 3.38Å; E374-K378 IonicContact OE1-NZ 2.61Å; E374-K378 PolarHBondContact OE1-NZ 2.94Å; T375-K378 WeakPolarHBondContact O-CB 3.42Å; T375-K378 PolarHBondContact O-N 3.25Å; V376-K378 VanDerWaalsContact C-N 3.26Å; V376-K378 PolarHBondContact O-N 2.95Å
379	I	96.4	Very high	95.6	Very high	22 Å²	22	53.4 Å²	53.4	11%	0.113	29%	0.286	C	S	.	.	H	α-helix	trans	-66.3	-48.5	179.9	-67.4	162.8	0	0	0	110.2	I340 C343 T375 V376	I340-I379 HydrophobicContact CB-CD1 4.39Å; I340-I379 HydrophobicContact CG1-CD1 4.1Å; I340-I379 HydrophobicContact CG2-CD1 4.46Å; I340-I379 HydrophobicContact CG2-CG1 4.34Å; C343-I379 HydrophobicContact CB-CD1 4.25Å; C343-I379 HydrophobicContact CB-CG2 3.9Å; T375-I379 HydrophobicContact CG2-CD1 4.08Å; T375-I379 VanDerWaalsContact O-CG1 3.28Å; T375-I379 WeakPolarHBondContact O-CG1 3.46Å; T375-I379 PolarHBondContact O-N 2.77Å; V376-I379 PolarHBondContact O-N 2.47Å; V376-I379 VanDerWaalsContact O-N 3.16Å
380	F	96.6	Very high	95.5	Very high	6 Å²	6	54.2 Å²	54.2	3%	0.026	29%	0.292	C	S	.	.	H	α-helix	trans	-97.7	-13.2	-170.5	-65.4	-76.9	0	0	0	113.9	A218 I229 C343 L347 I357 I360 V376 K382	A218-F380 HydrophobicContact CB-CD1 4.37Å; A218-F380 HydrophobicContact CB-CE1 3.77Å; A218-F380 HydrophobicContact CB-CZ 3.94Å; I229-F380 HydrophobicContact CD1-CZ 4.04Å; C343-F380 HydrophobicContact CB-CZ 4.2Å; L347-F380 HydrophobicContact CD1-CD1 4.28Å; L347-F380 HydrophobicContact CD1-CE1 3.92Å; L347-F380 HydrophobicContact CD2-CD1 4.4Å; L347-F380 HydrophobicContact CD2-CE1 3.95Å; L347-F380 HydrophobicContact CG-CE1 4.08Å; I357-F380 HydrophobicContact CG1-CD1 4.04Å; I357-F380 HydrophobicContact CG1-CE1 4.38Å; I360-F380 HydrophobicContact CD1-CB 3.35Å; I360-F380 HydrophobicContact CD1-CD2 4.05Å; I360-F380 HydrophobicContact CD1-CG 3.85Å; I360-F380 HydrophobicContact CG1-CB 4.02Å; I360-F380 HydrophobicContact CG1-CD2 4.31Å; I360-F380 HydrophobicContact CG1-CG 4.08Å; I360-F380 HydrophobicContact CG2-CD2 4.42Å; V376-F380 HydrophobicContact CG1-CD2 3.77Å; V376-F380 HydrophobicContact CG1-CE2 4.12Å; V376-F380 WeakPolarHBondContact O-CD2 3.43Å; V376-F380 PolarHBondContact O-N 3.24Å; F380-K382 VanDerWaalsContact C-N 3.27Å; F380-K382 PolarHBondContact O-N 3.22Å
381	G	95.9	Very high	95.4	Very high	72 Å²	72	54.8 Å²	54.8	74%	0.742	29%	0.293	S	S	*	.	S	Bend	trans	69.7	21.6	-178.1	0	0	0	0	0	113.9	E377	E377-G381 WeakPolarHBondContact O-CA 3.5Å; E377-G381 PolarHBondContact O-N 2.88Å
382	K	95.6	Very high	95.3	Very high	92 Å²	92	53.5 Å²	53.5	40%	0.4	29%	0.288	S	S	.	.	S	Bend	trans	-148.1	143.6	-174.3	-170.4	175.8	-162.3	167.5	0	111.5	G358 I360 F380	G358-K382 PolarHBondContact O-NZ 3.2Å; I360-K382 HydrophobicContact CD1-CB 3.9Å; I360-K382 WeakPolarHBondContact CD1-O 3.41Å; F380-K382 VanDerWaalsContact C-N 3.27Å; F380-K382 PolarHBondContact O-N 3.22Å
383	T	96.3	Very high	95.2	Very high	95 Å²	95	53.5 Å²	53.5	58%	0.583	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-67.2	128.5	173.8	-63.9	0	0	0	0	111.1	E377	E377-T383 WeakPolarHBondContact OE1-CA 3.18Å; E377-T383 WeakPolarHBondContact OE1-CB 3.44Å; E377-T383 WeakPolarHBondContact OE1-CG2 3.43Å; E377-T383 PolarHBondContact OE1-OG1 3.4Å
384	P	96.1	Very high	95.2	Very high	12 Å²	12	50.2 Å²	50.2	8%	0.078	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-63.2	150.1	177.1	-22.7	32.6	0	0	0	113.7	I360 L362 V376 E377	I360-P384 HydrophobicContact CB-CB 4.23Å; I360-P384 HydrophobicContact CG2-CB 4.26Å; I360-P384 HydrophobicContact CG2-CG 4.38Å; L362-P384 HydrophobicContact CD1-CB 3.73Å; L362-P384 HydrophobicContact CD1-CG 3.97Å; L362-P384 HydrophobicContact CD2-CB 4.16Å; L362-P384 HydrophobicContact CD2-CG 4.23Å; L362-P384 HydrophobicContact CG-CB 3.62Å; L362-P384 HydrophobicContact CG-CG 4.12Å; V376-P384 HydrophobicContact CB-CG 4.42Å; V376-P384 HydrophobicContact CG1-CG 3.84Å; E377-P384 HydrophobicContact CG-CG 4.43Å
385	S	93	Very high	95.3	Very high	22 Å²	22	47 Å²	47	15%	0.154	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-66.8	145.6	178.1	-156.4	0	0	0	0	111.5	E359 I360 S387	E359-S385 WeakPolarHBondContact OE1-CB 3.24Å; E359-S385 PolarHBondContact OE1-OG 2.87Å; I360-S385 WeakPolarHBondContact O-CB 3.35Å; I360-S385 PolarHBondContact O-N 3.24Å; S385-S387 PolarHBondContact OG-N 3.07Å; S385-S387 PolarHBondContact OG-OG 2.62Å
386	K	89.9	Confident	95.2	Very high	197 Å²	197	48 Å²	48	86%	0.857	26%	0.262	S	S	*	.			trans	-106.4	11.2	170.4	-62.7	-176	179.2	179.3	0	112.1	V388	K386-V388 PolarHBondContact O-N 2.79Å
387	S	87.3	Confident	95.2	Very high	63 Å²	63	48 Å²	48	44%	0.441	26%	0.262	S	S	.	.	S	Bend	trans	-76.8	-7.9	-173	69.8	0	0	0	0	114.3	Y207 R211 S385	Y207-S387 WeakPolarHBondContact CD2-OG 2.92Å; R211-S387 PolarHBondContact NH2-OG 2.87Å; R211-S387 VanDerWaalsContact NH2-OG 3.08Å; S385-S387 PolarHBondContact OG-N 3.07Å; S385-S387 PolarHBondContact OG-OG 2.62Å
388	V	88.5	Confident	95.2	Very high	19 Å²	19	44.6 Å²	44.6	12%	0.115	25%	0.246	C	C	.	.	S	Bend	trans	-129.1	139.5	-178.3	-165	0	0	0	0	109.2	Y207 I361 K386 A393	Y207-V388 HydrophobicContact CD2-CG2 3.91Å; Y207-V388 HydrophobicContact CG-CG2 4.38Å; I361-V388 HydrophobicContact CG2-CB 4.31Å; I361-V388 HydrophobicContact CG2-CG2 4.13Å; K386-V388 PolarHBondContact O-N 2.79Å; V388-A393 HydrophobicContact CG1-CB 3.29Å
389	N	94.5	Very high	95.2	Very high	58 Å²	58	37.9 Å²	37.9	31%	0.31	22%	0.217	S	C	.	.			trans	-75.7	119.3	172	-179.3	-15.8	0	0	0	109.7	D391 E392 A393	N389-D391 PolarHBondContact O-N 2.9Å; N389-D391 VanDerWaalsContact O-N 3.13Å; N389-D391 PolarHBondContact OD1-N 3.49Å; N389-D391 VanDerWaalsContact OD1-N 3.08Å; N389-E392 HydrophobicContact CB-CB 4.11Å; N389-E392 PolarHBondContact ND2-OE1 2.77Å; N389-E392 VanDerWaalsContact ND2-OE1 3.09Å; N389-E392 PolarHBondContact O-N 2.92Å; N389-E392 VanDerWaalsContact O-N 3.17Å; N389-A393 WeakPolarHBondContact O-CB 3.23Å; N389-A393 PolarHBondContact O-N 3.36Å
390	P	95.3	Very high	95.1	Very high	23 Å²	23	36.9 Å²	36.9	15%	0.149	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-19	-174.2	26.8	-36.6	0	0	0	114.2	G364	G364-P390 PolarHBondContact N-O 3.39Å
391	D	95.8	Very high	95	Very high	50 Å²	50	36.9 Å²	36.9	27%	0.267	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-8.8	-178.7	-56.5	-56.4	0	0	0	113.1	R368 N389	R368-D391 IonicContact CZ-OD2 3.96Å; R368-D391 IonicContact NE-OD2 2.85Å; R368-D391 PolarHBondContact NE-OD2 3.15Å; R368-D391 IonicContact NH2-OD2 3.52Å; R368-D391 PolarHBondContact NH2-OD2 3.16Å; N389-D391 PolarHBondContact O-N 2.9Å; N389-D391 VanDerWaalsContact O-N 3.13Å; N389-D391 PolarHBondContact OD1-N 3.49Å; N389-D391 VanDerWaalsContact OD1-N 3.08Å
392	E	97.3	Very high	95	Very high	25 Å²	25	33.5 Å²	33.5	12%	0.117	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-23.1	-171.8	-68.5	178.3	-161.1	0	0	113.3	V54 R62 N389 V394 A395 M396	V54-E392 HydrophobicContact CG1-CG 4.44Å; V54-E392 HydrophobicContact CG2-CB 3.97Å; V54-E392 HydrophobicContact CG2-CG 4.11Å; R62-E392 IonicContact CZ-OE1 2.76Å; R62-E392 IonicContact CZ-OE2 2.94Å; R62-E392 IonicContact NE-OE1 3.28Å; R62-E392 PolarHBondContact NE-OE1 3.11Å; R62-E392 IonicContact NE-OE2 3.63Å; R62-E392 IonicContact NH2-OE1 2.77Å; R62-E392 IonicContact NH2-OE2 3.57Å; R62-E392 PolarHBondContact NH2-OE2 3.17Å; N389-E392 HydrophobicContact CB-CB 4.11Å; N389-E392 PolarHBondContact ND2-OE1 2.77Å; N389-E392 VanDerWaalsContact ND2-OE1 3.09Å; N389-E392 PolarHBondContact O-N 2.92Å; N389-E392 VanDerWaalsContact O-N 3.17Å; E392-V394 PolarHBondContact O-N 2.94Å; E392-V394 VanDerWaalsContact O-N 3.16Å; E392-A395 PolarHBondContact O-N 2.76Å; E392-M396 HydrophobicContact CB-CE 4.12Å; E392-M396 WeakPolarHBondContact O-CG 3.35Å; E392-M396 PolarHBondContact O-N 3.28Å
393	A	96.4	Very high	94.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-46	-47.7	-178.3	0	0	0	0	0	113.1	A203 A206 V388 N389 M396 G397	A203-A393 HydrophobicContact CB-CB 3.96Å; A206-A393 VanDerWaalsContact CB-O 3.22Å; A206-A393 WeakPolarHBondContact CB-O 3.2Å; V388-A393 HydrophobicContact CG1-CB 3.29Å; N389-A393 WeakPolarHBondContact O-CB 3.23Å; N389-A393 PolarHBondContact O-N 3.36Å; A393-M396 PolarHBondContact O-N 3.26Å; A393-G397 PolarHBondContact O-N 3.19Å
394	V	97.7	Very high	94.6	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.024	14%	0.143	C	C	.	.	H	α-helix	trans	-68.2	-46.5	-172.9	176.9	0	0	0	0	110.6	D36 T169 E199 A202 A203 V363 E392 G397 A398	D36-V394 HydrophobicContact CB-CB 4.2Å; D36-V394 HydrophobicContact CB-CG1 3.83Å; D36-V394 VanDerWaalsContact CG-CG1 3.47Å; T169-V394 HydrophobicContact CG2-CG1 3.38Å; E199-V394 HydrophobicContact CB-CG1 4.2Å; E199-V394 HydrophobicContact CB-CG2 4.43Å; E199-V394 HydrophobicContact CG-CG1 3.87Å; A202-V394 HydrophobicContact CB-CG1 4.35Å; A202-V394 WeakPolarHBondContact CB-O 3.42Å; A203-V394 HydrophobicContact CB-CG2 4.39Å; V363-V394 HydrophobicContact CG1-CG2 3.45Å; V363-V394 VanDerWaalsContact CG1-CG2 3.45Å; E392-V394 PolarHBondContact O-N 2.94Å; E392-V394 VanDerWaalsContact O-N 3.16Å; V394-G397 PolarHBondContact O-N 2.83Å; V394-A398 PolarHBondContact O-N 2.73Å
395	A	98.2	Very high	94.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.7	-43.3	177.5	0	0	0	0	0	111.7	D36 C43 A45 E392 G397 A398 A399	D36-A395 HydrophobicContact CB-CB 3.91Å; C43-A395 HydrophobicContact CB-CB 3.76Å; C43-A395 VanDerWaalsContact SG-CB 3.52Å; A45-A395 HydrophobicContact CB-CB 4.13Å; A45-A395 WeakPolarHBondContact CB-O 3.36Å; E392-A395 PolarHBondContact O-N 2.76Å; A395-G397 VanDerWaalsContact C-N 3.33Å; A395-G397 PolarHBondContact O-N 2.94Å; A395-A398 PolarHBondContact O-N 3.27Å; A395-A399 PolarHBondContact O-N 3.22Å
396	M	97.3	Very high	94.3	Very high	35 Å²	35	28.2 Å²	28.2	17%	0.172	15%	0.151	C	C	.	.	H	α-helix	trans	-59.7	-44	175.2	-69.4	-171.8	-66.1	0	0	111.7	P52 V54 A206 E392 A393 A398 A399 I400	P52-M396 HydrophobicContact CB-CB 3.98Å; P52-M396 HydrophobicContact CB-CG 4.24Å; P52-M396 HydrophobicContact CG-CB 4.14Å; P52-M396 HydrophobicContact CG-CG 4.43Å; P52-M396 HydrophobicContact CG-SD 4.5Å; V54-M396 HydrophobicContact CG2-CG 3.7Å; V54-M396 HydrophobicContact CG2-SD 4.45Å; A206-M396 HydrophobicContact CB-CB 3.99Å; A206-M396 HydrophobicContact CB-CE 4.45Å; E392-M396 HydrophobicContact CB-CE 4.12Å; E392-M396 WeakPolarHBondContact O-CG 3.35Å; E392-M396 PolarHBondContact O-N 3.28Å; A393-M396 PolarHBondContact O-N 3.26Å; M396-A398 PolarHBondContact O-N 3.47Å; M396-A399 WeakPolarHBondContact O-CB 3.44Å; M396-A399 PolarHBondContact O-N 2.95Å; M396-I400 WeakPolarHBondContact O-CG1 3.35Å; M396-I400 PolarHBondContact O-N 3.38Å
397	G	96.6	Very high	94.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.1	-41.7	174.8	0	0	0	0	0	113.9	A202 A393 V394 A395 A399 I400 Q401	A202-G397 WeakPolarHBondContact O-CA 3.5Å; A393-G397 PolarHBondContact O-N 3.19Å; V394-G397 PolarHBondContact O-N 2.83Å; A395-G397 VanDerWaalsContact C-N 3.33Å; A395-G397 PolarHBondContact O-N 2.94Å; G397-A399 VanDerWaalsContact C-N 3.31Å; G397-A399 PolarHBondContact O-N 3.38Å; G397-I400 PolarHBondContact O-N 3Å; G397-Q401 PolarHBondContact O-N 3.12Å
398	A	97.3	Very high	94.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-63.7	-37.6	174.7	0	0	0	0	0	111.8	V167 T169 I197 V394 A395 M396 Q401 G402	V167-A398 HydrophobicContact CB-CB 4.45Å; V167-A398 HydrophobicContact CG1-CB 4.1Å; T169-A398 HydrophobicContact CG2-CB 3.83Å; I197-A398 HydrophobicContact CG2-CB 4.25Å; V394-A398 PolarHBondContact O-N 2.73Å; A395-A398 PolarHBondContact O-N 3.27Å; M396-A398 PolarHBondContact O-N 3.47Å; A398-Q401 PolarHBondContact O-N 2.98Å; A398-G402 PolarHBondContact O-N 3.17Å
399	A	97.1	Very high	94	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66.9	-42.7	175.1	0	0	0	0	0	111.7	A45 M47 P52 A395 M396 G397 Q401 G402 G403	A45-A399 HydrophobicContact CB-CB 3.83Å; M47-A399 HydrophobicContact CG-CB 4.44Å; M47-A399 VanDerWaalsContact CG-O 3.25Å; M47-A399 WeakPolarHBondContact CG-O 3.31Å; M47-A399 VanDerWaalsContact SD-C 3.57Å; M47-A399 HydrophobicContact SD-CB 4.14Å; P52-A399 HydrophobicContact CB-CB 4.46Å; A395-A399 PolarHBondContact O-N 3.22Å; M396-A399 WeakPolarHBondContact O-CB 3.44Å; M396-A399 PolarHBondContact O-N 2.95Å; G397-A399 VanDerWaalsContact C-N 3.31Å; G397-A399 PolarHBondContact O-N 3.38Å; A399-Q401 VanDerWaalsContact C-N 3.32Å; A399-Q401 PolarHBondContact O-N 3.22Å; A399-G402 CarbonylContact O-C 3.5Å; A399-G402 WeakPolarHBondContact O-CA 3.29Å; A399-G402 PolarHBondContact O-N 3.1Å; A399-G403 PolarHBondContact O-N 3.4Å
400	I	95.4	Very high	93.2	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-57.7	-46.7	173.5	-66.6	162.9	0	0	0	110.2	M47 P52 L205 L209 M396 G397 G402 G403 V404	M47-I400 HydrophobicContact SD-CG1 4.08Å; P52-I400 HydrophobicContact CB-CG1 4.13Å; P52-I400 HydrophobicContact CG-CD1 4.08Å; P52-I400 HydrophobicContact CG-CG1 4.07Å; L205-I400 HydrophobicContact CB-CD1 4.37Å; L205-I400 HydrophobicContact CB-CG2 4.39Å; L209-I400 HydrophobicContact CB-CD1 4.15Å; L209-I400 HydrophobicContact CD1-CD1 4.43Å; L209-I400 HydrophobicContact CD1-CG2 4.13Å; L209-I400 HydrophobicContact CD2-CD1 3.89Å; L209-I400 HydrophobicContact CD2-CG1 4.11Å; L209-I400 HydrophobicContact CG-CD1 4.39Å; M396-I400 WeakPolarHBondContact O-CG1 3.35Å; M396-I400 PolarHBondContact O-N 3.38Å; G397-I400 PolarHBondContact O-N 3Å; I400-G402 PolarHBondContact O-N 3.28Å; I400-G403 WeakPolarHBondContact O-CA 2.96Å; I400-G403 PolarHBondContact O-N 3.28Å; I400-V404 WeakPolarHBondContact O-CG2 3.37Å; I400-V404 PolarHBondContact O-N 3.5Å
401	Q	94.6	Very high	92.6	Very high	6 Å²	6	29.5 Å²	29.5	3%	0.028	17%	0.174	C	C	.	.	H	α-helix	trans	-59.8	-36.8	175.5	179.2	59.2	69.6	0	0	112	V167 R195 I197 L205 G397 A398 A399 V404 L405	V167-Q401 HydrophobicContact CG1-CB 4.27Å; V167-Q401 HydrophobicContact CG1-CG 4.08Å; V167-Q401 HydrophobicContact CG2-CG 4.27Å; R195-Q401 HydrophobicContact CG-CG 4.24Å; I197-Q401 HydrophobicContact CD1-CB 3.83Å; I197-Q401 HydrophobicContact CD1-CG 3.95Å; L205-Q401 HydrophobicContact CD1-CB 4.2Å; G397-Q401 PolarHBondContact O-N 3.12Å; A398-Q401 PolarHBondContact O-N 2.98Å; A399-Q401 VanDerWaalsContact C-N 3.32Å; A399-Q401 PolarHBondContact O-N 3.22Å; Q401-V404 PolarHBondContact O-N 3.13Å; Q401-L405 HydrophobicContact CG-CD1 4.42Å; Q401-L405 VanDerWaalsContact O-CG 3.32Å; Q401-L405 WeakPolarHBondContact O-CG 3.43Å; Q401-L405 PolarHBondContact O-N 2.86Å; Q401-L405 VanDerWaalsContact O-N 3.11Å
402	G	94.4	Very high	92.2	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-61.6	-44.8	171.7	0	0	0	0	0	112.5	V32 A398 A399 I400 V404 L405 A406	V32-G402 VanDerWaalsContact CG1-CA 3.45Å; A398-G402 PolarHBondContact O-N 3.17Å; A399-G402 CarbonylContact O-C 3.5Å; A399-G402 WeakPolarHBondContact O-CA 3.29Å; A399-G402 PolarHBondContact O-N 3.1Å; I400-G402 PolarHBondContact O-N 3.28Å; G402-V404 VanDerWaalsContact C-N 3.35Å; G402-V404 PolarHBondContact O-N 3Å; G402-L405 PolarHBondContact O-N 3.15Å; G402-A406 PolarHBondContact O-N 3.25Å
403	G	93.3	Very high	91.7	Very high	2 Å²	2	31.6 Å²	31.6	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-61.1	-38.4	174.2	0	0	0	0	0	113.3	A399 I400 A406 G407 D408 V409	A399-G403 PolarHBondContact O-N 3.4Å; I400-G403 WeakPolarHBondContact O-CA 2.96Å; I400-G403 PolarHBondContact O-N 3.28Å; G403-A406 PolarHBondContact O-N 2.9Å; G403-G407 PolarHBondContact O-N 2.82Å; G403-D408 PolarHBondContact O-N 2.97Å; G403-V409 PolarHBondContact O-N 3.23Å; G403-V409 VanDerWaalsContact O-N 3.15Å
404	V	92	Very high	91.4	Very high	41 Å²	41	33.3 Å²	33.3	25%	0.248	20%	0.195	C	C	.	.	H	α-helix	trans	-63.2	-41.5	173.6	173.9	0	0	0	0	111.1	I400 Q401 G402 G407 V409 V412	I400-V404 WeakPolarHBondContact O-CG2 3.37Å; I400-V404 PolarHBondContact O-N 3.5Å; Q401-V404 PolarHBondContact O-N 3.13Å; G402-V404 VanDerWaalsContact C-N 3.35Å; G402-V404 PolarHBondContact O-N 3Å; V404-G407 PolarHBondContact O-N 2.99Å; V404-V409 HydrophobicContact CG2-CB 3.86Å; V404-V409 HydrophobicContact CG2-CG1 3.86Å; V404-V412 HydrophobicContact CG2-CB 3.87Å; V404-V412 HydrophobicContact CG2-CG1 4.05Å
405	L	91.2	Very high	91.1	Very high	49 Å²	49	35.6 Å²	35.6	26%	0.257	21%	0.207	S	C	.	.	H	α-helix	trans	-70.6	-34	178.6	-68.3	166.8	0	0	0	112.8	P28 V167 L194 R195 Q401 G402 G407	P28-L405 VanDerWaalsContact CD-O 3.29Å; P28-L405 WeakPolarHBondContact CD-O 3.41Å; V167-L405 HydrophobicContact CG2-CD1 3.89Å; L194-L405 HydrophobicContact CB-CD1 4.03Å; R195-L405 HydrophobicContact CB-CD1 3.79Å; Q401-L405 HydrophobicContact CG-CD1 4.42Å; Q401-L405 VanDerWaalsContact O-CG 3.32Å; Q401-L405 WeakPolarHBondContact O-CG 3.43Å; Q401-L405 PolarHBondContact O-N 2.86Å; Q401-L405 VanDerWaalsContact O-N 3.11Å; G402-L405 PolarHBondContact O-N 3.15Å; L405-G407 VanDerWaalsContact C-N 3.31Å
406	A	90.3	Very high	90.7	Very high	18 Å²	18	36.4 Å²	36.4	15%	0.149	21%	0.212	C	C	.	.	H	α-helix	trans	-72.4	-25.8	174.3	0	0	0	0	0	112.6	P28 V32 G402 G403	P28-A406 HydrophobicContact CG-CB 4.47Å; V32-A406 HydrophobicContact CG2-CB 4.27Å; G402-A406 PolarHBondContact O-N 3.25Å; G403-A406 PolarHBondContact O-N 2.9Å
407	G	87.6	Confident	90.3	Very high	41 Å²	41	34.9 Å²	34.9	42%	0.423	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.7	5.3	-173.2	0	0	0	0	0	113.9	G403 V404 L405	G403-G407 PolarHBondContact O-N 2.82Å; V404-G407 PolarHBondContact O-N 2.99Å; L405-G407 VanDerWaalsContact C-N 3.31Å
408	D	85.7	Confident	89.8	Confident	102 Å²	102	35.2 Å²	35.2	55%	0.545	21%	0.206	S	C	.	.	S	Bend	trans	-74.9	-28.2	178.1	-61.8	-33.7	0	0	0	112	G403	G403-D408 PolarHBondContact O-N 2.97Å
409	V	86.9	Confident	88.9	Confident	16 Å²	16	35.7 Å²	35.7	10%	0.097	21%	0.209	C	C	.	.	S	Bend	trans	-106.2	97.1	173.1	-178.7	0	0	0	0	108.4	M47 L209 G403 V404 V412	M47-V409 HydrophobicContact CE-CG2 3.82Å; L209-V409 HydrophobicContact CD1-CG1 4.44Å; G403-V409 PolarHBondContact O-N 3.23Å; G403-V409 VanDerWaalsContact O-N 3.15Å; V404-V409 HydrophobicContact CG2-CB 3.86Å; V404-V409 HydrophobicContact CG2-CG1 3.86Å; V409-V412 HydrophobicContact CG1-CB 4.13Å; V409-V412 HydrophobicContact CG1-CG2 3.65Å
410	T	76.2	Confident	88.2	Confident	87 Å²	87	36.7 Å²	36.7	53%	0.534	21%	0.214	S	C	.	.			trans	-88.7	146.4	169	61.9	0	0	0	0	108.1
411	D	83.2	Confident	88	Confident	142 Å²	142	36.7 Å²	36.7	76%	0.759	21%	0.214	S	C	*	.	S	Bend	trans	87.8	12.9	179.4	-42	-46.5	0	0	0	117.5	G237	G237-D411 WeakPolarHBondContact CA-O 3.41Å
412	V	87.1	Confident	87.8	Confident	23 Å²	23	36.4 Å²	36.4	14%	0.139	21%	0.213	C	C	.	.			trans	-113.8	123.8	169.1	176.1	0	0	0	0	110.1	L205 L209 G237 F239 V404 V409	L205-V412 HydrophobicContact CD2-CG1 3.7Å; L209-V412 HydrophobicContact CD1-CG2 4.34Å; G237-V412 WeakPolarHBondContact O-CA 3.27Å; F239-V412 HydrophobicContact CD2-CG1 4.07Å; F239-V412 HydrophobicContact CE2-CG1 4.04Å; V404-V412 HydrophobicContact CG2-CB 3.87Å; V404-V412 HydrophobicContact CG2-CG1 4.05Å; V409-V412 HydrophobicContact CG1-CB 4.13Å; V409-V412 HydrophobicContact CG1-CG2 3.65Å
413	L	88.4	Confident	87.7	Confident	96 Å²	96	36.3 Å²	36.3	50%	0.503	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	123.6	173.3	-178.8	66.5	0	0	0	109.7	G237 V238 F239	G237-L413 PolarHBondContact O-N 3.2Å; V238-L413 CarbonylContact C-O 3.53Å; V238-L413 WeakPolarHBondContact CA-O 3.32Å; V238-L413 HydrophobicContact CG1-CD2 4.44Å; V238-L413 HydrophobicContact CG2-CB 4.35Å; V238-L413 HydrophobicContact CG2-CD2 4.43Å; F239-L413 PolarHBondContact N-O 3.44Å
414	L	90.3	Very high	87.7	Confident	36 Å²	36	36.6 Å²	36.6	19%	0.188	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	125.9	178.5	176.2	64.2	0	0	0	111.1	I197 T201 F239	I197-L414 HydrophobicContact CD1-CD2 4.24Å; T201-L414 HydrophobicContact CG2-CD1 3.22Å; T201-L414 HydrophobicContact CG2-CD2 3.56Å; T201-L414 HydrophobicContact CG2-CG 3.98Å; F239-L414 HydrophobicContact CB-CD1 3.93Å
415	L	90.2	Very high	87.7	Confident	51 Å²	51	37.4 Å²	37.4	27%	0.267	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	96.5	173.2	-61	176.4	0	0	0	108.4	V238 F239 E240 V241 T440	V238-L415 HydrophobicContact CG1-CD1 4.12Å; F239-L415 PolarHBondContact O-N 3.29Å; E240-L415 WeakPolarHBondContact CA-O 3.42Å; E240-L415 HydrophobicContact CB-CB 4.32Å; E240-L415 HydrophobicContact CG-CB 4.13Å; E240-L415 HydrophobicContact CG-CD1 4.37Å; V241-L415 PolarHBondContact N-O 3.41Å; L415-T440 HydrophobicContact CB-CG2 3.92Å
416	D	89.3	Confident	87.6	Confident	18 Å²	18	36.9 Å²	36.9	10%	0.096	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	179.1	178.4	-146.1	-41.3	0	0	0	110.9	N198 T201 V241 T440 I441	N198-D416 PolarHBondContact ND2-OD1 2.8Å; N198-D416 PolarHBondContact ND2-OD2 3.2Å; T201-D416 PolarHBondContact OG1-OD2 3.05Å; V241-D416 HydrophobicContact CG2-CB 4.47Å; D416-T440 CarbonylContact O-C 3.36Å; D416-T440 VanDerWaalsContact O-CA 3.26Å; D416-T440 WeakPolarHBondContact O-CA 3.41Å; D416-I441 HydrophobicContact CB-CD1 4.47Å; D416-I441 HydrophobicContact CB-CG1 4.25Å; D416-I441 WeakPolarHBondContact O-CG1 3.41Å; D416-I441 PolarHBondContact O-N 2.82Å
417	V	89.8	Confident	87.1	Confident	2 Å²	2	43 Å²	43	1%	0.012	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	160.4	-179.1	-62.3	0	0	0	0	112.6	V241 T244 N438 T439	V241-V417 HydrophobicContact CB-CG1 4.17Å; V241-V417 HydrophobicContact CB-CG2 4.16Å; V241-V417 HydrophobicContact CG1-CG1 4.37Å; V241-V417 HydrophobicContact CG1-CG2 3.63Å; V241-V417 WeakPolarHBondContact O-CG1 3.42Å; T244-V417 HydrophobicContact CG2-CG2 4.03Å; V417-N438 WeakPolarHBondContact CG1-O 3.27Å; V417-T439 VanDerWaalsContact CA-O 3.28Å; V417-T439 WeakPolarHBondContact CA-O 3.31Å
418	T	85.5	Confident	86.8	Confident	8 Å²	8	44 Å²	44	5%	0.049	25%	0.253	C	S	.	.			trans	-79	126.4	164.9	180	0	0	0	0	110.6	L420 I435 N438 T439 I501	T418-L420 VanDerWaalsContact C-N 3.29Å; T418-L420 PolarHBondContact O-N 3.41Å; T418-L420 PolarHBondContact OG1-O 3.4Å; T418-L420 VanDerWaalsContact OG1-O 3.12Å; T418-I435 HydrophobicContact CG2-CG2 3.88Å; T418-N438 PolarHBondContact O-N 3.31Å; T418-T439 PolarHBondContact N-O 3.18Å; T418-I501 HydrophobicContact CG2-CD1 3.97Å
419	P	79	Confident	86.8	Confident	9 Å²	9	39.8 Å²	39.8	6%	0.058	23%	0.234	C	C	.	.	S	Bend	trans	-74.1	-17.9	-174.2	29.8	-37.1	0	0	0	113.9	A172 Y173 T244 R437	A172-P419 WeakPolarHBondContact O-CG 3.27Å; Y173-P419 HydrophobicContact CD2-CB 3.94Å; Y173-P419 HydrophobicContact CE2-CB 4.33Å; T244-P419 HydrophobicContact CG2-CB 3.72Å; P419-R437 WeakPolarHBondContact O-CB 3.34Å
420	L	82.9	Confident	86.8	Confident	21 Å²	21	41.7 Å²	41.7	11%	0.11	25%	0.246	C	C	.	.	S	Bend	trans	-134.2	145.3	-173.3	-66.3	170.7	0	0	0	110.2	Y173 T418 Q465	Y173-L420 HydrophobicContact CE1-CD2 4.4Å; Y173-L420 HydrophobicContact CE2-CD2 3.89Å; Y173-L420 HydrophobicContact CE2-CG 4.41Å; Y173-L420 VanDerWaalsContact OH-CD2 3.31Å; Y173-L420 WeakPolarHBondContact OH-CD2 3.46Å; T418-L420 VanDerWaalsContact C-N 3.29Å; T418-L420 PolarHBondContact O-N 3.41Å; T418-L420 PolarHBondContact OG1-O 3.4Å; T418-L420 VanDerWaalsContact OG1-O 3.12Å; L420-Q465 HydrophobicContact CB-CG 3.38Å; L420-Q465 HydrophobicContact CD1-CG 3.72Å; L420-Q465 HydrophobicContact CG-CG 4.18Å
421	S	89.9	Confident	87.5	Confident	1 Å²	1	38 Å²	38	1%	0.007	22%	0.222	C	C	.	.			trans	-66.6	141.7	175.6	-56	0	0	0	0	111.1	I435 R437 Q465 G466 E467	S421-I435 CarbonylContact C-O 3.5Å; S421-I435 WeakPolarHBondContact CA-O 3.42Å; S421-R437 PolarHBondContact OG-N 3.2Å; S421-Q465 VanDerWaalsContact O-CA 3.32Å; S421-Q465 WeakPolarHBondContact O-CA 3.4Å; S421-G466 PolarHBondContact O-N 3.28Å; S421-E467 WeakPolarHBondContact CB-OE1 3.42Å; S421-E467 PolarHBondContact N-OE1 2.76Å; S421-E467 PolarHBondContact OG-OE1 3.17Å; S421-E467 PolarHBondContact OG-OE2 2.77Å; S421-E467 VanDerWaalsContact OG-OE2 3.04Å
422	L	91.2	Very high	87.9	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	139.3	175	-64.8	171.2	0	0	0	109.9	L434 I435 Y464 Q465 L477 F499 I501 V507	L422-L434 PolarHBondContact O-N 3.23Å; L422-I435 HydrophobicContact CB-CB 4.39Å; L422-I435 PolarHBondContact N-O 2.91Å; L422-I435 PolarHBondContact O-N 2.86Å; L422-I435 VanDerWaalsContact O-N 3.13Å; L422-Y464 WeakPolarHBondContact CA-O 3.46Å; L422-Q465 HydrophobicContact CD2-CB 3.89Å; L422-Q465 HydrophobicContact CD2-CG 3.94Å; L422-L477 HydrophobicContact CD2-CD1 3.64Å; L422-F499 HydrophobicContact CB-CD1 3.99Å; L422-F499 HydrophobicContact CB-CE1 3.94Å; L422-F499 HydrophobicContact CD1-CD1 4.36Å; L422-I501 HydrophobicContact CD1-CD1 3.48Å; L422-I501 VanDerWaalsContact CD1-CD1 3.48Å; L422-I501 HydrophobicContact CD1-CG1 3.94Å; L422-V507 HydrophobicContact CD1-CB 4.35Å; L422-V507 HydrophobicContact CD1-CG1 3.87Å; L422-V507 HydrophobicContact CD1-CG2 3.47Å; L422-V507 VanDerWaalsContact CD1-CG2 3.47Å; L422-V507 HydrophobicContact CD2-CG2 4.25Å
423	G	92.3	Very high	88.2	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.8	-175.5	-175.8	0	0	0	0	0	112.6	T432 V463 Y464	G423-T432 CarbonylContact C-O 3.48Å; G423-T432 WeakPolarHBondContact CA-O 3.31Å; G423-V463 WeakPolarHBondContact O-CA 3.11Å; G423-Y464 PolarHBondContact N-O 3.4Å; G423-Y464 VanDerWaalsContact N-O 3.1Å; G423-Y464 PolarHBondContact O-N 3.49Å
424	I	93.4	Very high	88.4	Confident	7 Å²	7	31 Å²	31	4%	0.036	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	154.7	-179.9	65.8	175	0	0	0	111.5	T426 T432 L434 F449 I461 K462 V463 V497 F499	I424-T426 HydrophobicContact CD1-CG2 4.29Å; I424-T426 HydrophobicContact CG1-CG2 4.02Å; I424-T432 PolarHBondContact N-O 3.49Å; I424-T432 PolarHBondContact O-N 3.44Å; I424-L434 HydrophobicContact CG1-CD1 4.25Å; I424-F449 HydrophobicContact CD1-CD1 4.02Å; I424-F449 HydrophobicContact CD1-CD2 3.79Å; I424-F449 HydrophobicContact CD1-CE1 3.72Å; I424-F449 HydrophobicContact CD1-CE2 3.46Å; I424-F449 VanDerWaalsContact CD1-CE2 3.46Å; I424-F449 HydrophobicContact CD1-CG 4.05Å; I424-F449 HydrophobicContact CD1-CZ 3.44Å; I424-F449 VanDerWaalsContact CD1-CZ 3.44Å; I424-F449 HydrophobicContact CG1-CE1 4.25Å; I424-F449 HydrophobicContact CG1-CE2 4.37Å; I424-F449 HydrophobicContact CG1-CZ 3.96Å; I424-I461 HydrophobicContact CB-CG2 4.49Å; I424-I461 HydrophobicContact CG2-CG2 3.84Å; I424-K462 WeakPolarHBondContact CA-O 3.46Å; I424-K462 WeakPolarHBondContact CB-O 3.34Å; I424-V463 HydrophobicContact CG2-CG2 4.27Å; I424-V497 HydrophobicContact CD1-CG2 4.44Å; I424-V497 HydrophobicContact CG2-CG1 4.46Å; I424-F499 HydrophobicContact CG2-CE2 3.73Å; I424-F499 HydrophobicContact CG2-CZ 3.56Å
425	E	92.1	Very high	88.6	Confident	59 Å²	59	29.3 Å²	29.3	28%	0.276	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	124.3	165.5	178.8	175.4	-147	0	0	109.6	G429 K462 Y464 A471	E425-G429 WeakPolarHBondContact OE1-CA 3.33Å; E425-K462 HydrophobicContact CB-CB 4.3Å; E425-K462 PolarHBondContact N-O 3.29Å; E425-K462 WeakPolarHBondContact OE2-CD 3.41Å; E425-K462 WeakPolarHBondContact OE2-CE 3.34Å; E425-K462 IonicContact OE2-NZ 2.73Å; E425-K462 PolarHBondContact OE2-NZ 2.92Å; E425-Y464 HydrophobicContact CB-CD2 4.25Å; E425-Y464 HydrophobicContact CB-CE2 3.62Å; E425-A471 HydrophobicContact CB-CB 3.78Å; E425-A471 HydrophobicContact CG-CB 3.93Å
426	T	87.9	Confident	88.7	Confident	38 Å²	38	31.4 Å²	31.4	23%	0.233	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	177.4	172.4	57.6	0	0	0	0	111.2	I424 G428 G429 V430 T432 F449	I424-T426 HydrophobicContact CD1-CG2 4.29Å; I424-T426 HydrophobicContact CG1-CG2 4.02Å; T426-G428 PolarHBondContact O-N 3.35Å; T426-G429 PolarHBondContact O-N 2.88Å; T426-V430 PolarHBondContact N-O 3.3Å; T426-V430 PolarHBondContact OG1-O 2.94Å; T426-T432 HydrophobicContact CG2-CG2 4.45Å; T426-T432 WeakPolarHBondContact CG2-OG1 3.33Å; T426-T432 PolarHBondContact OG1-OG1 3.02Å; T426-F449 HydrophobicContact CG2-CD1 4.07Å; T426-F449 HydrophobicContact CG2-CE1 3.73Å
427	L	80.5	Confident	88.7	Confident	145 Å²	145	33.7 Å²	33.7	76%	0.759	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.2	128.9	-178.7	-177	67	0	0	0	111.1	A452	L427-A452 HydrophobicContact CD1-CB 4.16Å
428	G	79.9	Confident	88.8	Confident	62 Å²	62	34.6 Å²	34.6	64%	0.639	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	94.4	2.1	-175.8	0	0	0	0	0	114.7	T426 V430	T426-G428 PolarHBondContact O-N 3.35Å; G428-V430 VanDerWaalsContact C-N 3.31Å
429	G	85.7	Confident	89.1	Confident	14 Å²	14	36 Å²	36	14%	0.144	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	18.2	178.9	0	0	0	0	0	113.5	E425 T426 M470 A471	E425-G429 WeakPolarHBondContact OE1-CA 3.33Å; T426-G429 PolarHBondContact O-N 2.88Å; G429-M470 WeakPolarHBondContact O-CE 3.43Å; G429-A471 WeakPolarHBondContact O-CB 3.34Å; G429-A471 PolarHBondContact O-N 2.91Å
430	V	88.9	Confident	89.7	Confident	57 Å²	57	38.1 Å²	38.1	35%	0.345	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	140.6	-176.3	-178.2	0	0	0	0	110	T426 G428 T432	T426-V430 PolarHBondContact N-O 3.3Å; T426-V430 PolarHBondContact OG1-O 2.94Å; G428-V430 VanDerWaalsContact C-N 3.31Å; V430-T432 PolarHBondContact O-N 2.83Å
431	M	90.5	Very high	89.9	Confident	8 Å²	8	37.8 Å²	37.8	4%	0.039	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	108.8	172.7	177.3	56.4	169.6	0	0	110	K433 Y464 R468 E469	M431-K433 HydrophobicContact CE-CG 4.46Å; M431-K433 HydrophobicContact CG-CG 4.3Å; M431-Y464 WeakPolarHBondContact CE-O 3.31Å; M431-Y464 HydrophobicContact SD-CG 4.48Å; M431-R468 WeakPolarHBondContact CB-O 3.36Å; M431-E469 WeakPolarHBondContact CB-O 3.36Å; M431-E469 PolarHBondContact N-O 3.48Å
432	T	92	Very high	89.8	Confident	35 Å²	35	41.9 Å²	41.9	22%	0.215	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	108.6	171.7	-57.7	0	0	0	0	109.6	G423 I424 T426 V430 L434 F449	G423-T432 CarbonylContact C-O 3.48Å; G423-T432 WeakPolarHBondContact CA-O 3.31Å; I424-T432 PolarHBondContact N-O 3.49Å; I424-T432 PolarHBondContact O-N 3.44Å; T426-T432 HydrophobicContact CG2-CG2 4.45Å; T426-T432 WeakPolarHBondContact CG2-OG1 3.33Å; T426-T432 PolarHBondContact OG1-OG1 3.02Å; V430-T432 PolarHBondContact O-N 2.83Å; T432-L434 WeakPolarHBondContact O-CD1 3.48Å; T432-F449 HydrophobicContact CG2-CE1 4.1Å; T432-F449 HydrophobicContact CG2-CZ 4.21Å
433	K	92.2	Very high	89.9	Confident	58 Å²	58	43.2 Å²	43.2	25%	0.252	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	130	-179.5	-58.2	175.8	-175	-177.1	0	110.4	M431 E467	M431-K433 HydrophobicContact CE-CG 4.46Å; M431-K433 HydrophobicContact CG-CG 4.3Å; K433-E467 PolarHBondContact NZ-O 3.22Å; K433-E467 IonicContact NZ-OE2 2.88Å; K433-E467 PolarHBondContact NZ-OE2 2.81Å
434	L	93.2	Very high	90	Very high	21 Å²	21	49.4 Å²	49.4	11%	0.11	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-34.8	174.1	-79.1	80.4	0	0	0	111.9	L422 I424 T432 Q447 F449 F499	L422-L434 PolarHBondContact O-N 3.23Å; I424-L434 HydrophobicContact CG1-CD1 4.25Å; T432-L434 WeakPolarHBondContact O-CD1 3.48Å; L434-Q447 HydrophobicContact CD2-CB 3.81Å; L434-Q447 HydrophobicContact CG-CB 4.22Å; L434-F449 HydrophobicContact CD1-CE2 4.32Å; L434-F449 HydrophobicContact CD1-CZ 3.95Å; L434-F449 HydrophobicContact CD2-CE2 4.18Å; L434-F499 HydrophobicContact CB-CD2 4.12Å; L434-F499 HydrophobicContact CB-CE2 4.35Å; L434-F499 HydrophobicContact CD1-CE2 4.1Å; L434-F499 HydrophobicContact CD2-CD2 3.53Å; L434-F499 HydrophobicContact CD2-CE2 3.67Å; L434-F499 HydrophobicContact CG-CD2 4.3Å; L434-F499 HydrophobicContact CG-CE2 4.26Å
435	I	93.2	Very high	90	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.01	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	118.4	173.9	-60.9	173.7	0	0	0	106.8	T418 S421 L422 T439 T443 K445 F499 I501	T418-I435 HydrophobicContact CG2-CG2 3.88Å; S421-I435 CarbonylContact C-O 3.5Å; S421-I435 WeakPolarHBondContact CA-O 3.42Å; L422-I435 HydrophobicContact CB-CB 4.39Å; L422-I435 PolarHBondContact N-O 2.91Å; L422-I435 PolarHBondContact O-N 2.86Å; L422-I435 VanDerWaalsContact O-N 3.13Å; I435-T439 HydrophobicContact CG2-CG2 4.02Å; I435-T443 HydrophobicContact CD1-CG2 4.01Å; I435-T443 HydrophobicContact CG2-CG2 4.35Å; I435-K445 HydrophobicContact CD1-CB 4.37Å; I435-K445 HydrophobicContact CD1-CG 4.42Å; I435-K445 HydrophobicContact CG1-CB 3.87Å; I435-K445 HydrophobicContact CG1-CG 3.75Å; I435-F499 HydrophobicContact CD1-CB 3.55Å; I435-F499 HydrophobicContact CD1-CG 4.47Å; I435-F499 HydrophobicContact CG1-CB 4.27Å; I435-I501 HydrophobicContact CD1-CD1 3.69Å; I435-I501 HydrophobicContact CD1-CG1 3.8Å; I435-I501 HydrophobicContact CG2-CD1 4.03Å
436	N	92.8	Very high	90.1	Very high	95 Å²	95	54.5 Å²	54.5	51%	0.508	31%	0.308	S	S	.	.			trans	-76.9	155.3	177.2	-65.2	-36.7	0	0	0	110.4	T439	N436-T439 WeakPolarHBondContact O-CB 3.23Å; N436-T439 PolarHBondContact O-N 2.86Å; N436-T439 PolarHBondContact O-OG1 3.11Å
437	R	89.5	Confident	90.3	Very high	65 Å²	65	56.7 Å²	56.7	25%	0.245	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	153.5	167.8	67.8	175.6	-166.9	-137.9	-0.8	111.1	D349 P419 S421 T439 E467	D349-R437 VanDerWaalsContact CG-NH2 3.32Å; D349-R437 IonicContact OD1-CZ 3.77Å; D349-R437 IonicContact OD1-NE 3.82Å; D349-R437 IonicContact OD1-NH2 2.86Å; D349-R437 PolarHBondContact OD1-NH2 3.23Å; D349-R437 IonicContact OD2-CZ 3.17Å; D349-R437 IonicContact OD2-NE 2.76Å; D349-R437 PolarHBondContact OD2-NE 3.49Å; D349-R437 IonicContact OD2-NH2 2.93Å; D349-R437 PolarHBondContact OD2-NH2 3.3Å; P419-R437 WeakPolarHBondContact O-CB 3.34Å; S421-R437 PolarHBondContact OG-N 3.2Å; R437-T439 PolarHBondContact O-N 3.32Å; R437-E467 WeakPolarHBondContact CB-OE1 3.26Å
438	N	91.2	Very high	90.9	Very high	22 Å²	22	52.6 Å²	52.6	12%	0.118	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	15.6	-176	-52.2	-47.8	0	0	0	114.5	S243 T244 D349 V417 T418 T440	S243-N438 WeakPolarHBondContact CA-OD1 3.4Å; T244-N438 PolarHBondContact N-OD1 2.87Å; T244-N438 PolarHBondContact O-OD1 3.18Å; D349-N438 WeakPolarHBondContact CB-ND2 3.24Å; D349-N438 PolarHBondContact OD2-ND2 3.2Å; V417-N438 WeakPolarHBondContact CG1-O 3.27Å; T418-N438 PolarHBondContact O-N 3.31Å; N438-T440 PolarHBondContact O-N 3.08Å
439	T	91.9	Very high	91.4	Very high	38 Å²	38	51.4 Å²	51.4	23%	0.233	27%	0.274	C	S	.	.			trans	-72	127.4	167.8	-58	0	0	0	0	109.2	V417 T418 I435 N436 R437 T443	V417-T439 VanDerWaalsContact CA-O 3.28Å; V417-T439 WeakPolarHBondContact CA-O 3.31Å; T418-T439 PolarHBondContact N-O 3.18Å; I435-T439 HydrophobicContact CG2-CG2 4.02Å; N436-T439 WeakPolarHBondContact O-CB 3.23Å; N436-T439 PolarHBondContact O-N 2.86Å; N436-T439 PolarHBondContact O-OG1 3.11Å; R437-T439 PolarHBondContact O-N 3.32Å; T439-T443 HydrophobicContact CG2-CG2 3.93Å
440	T	91.5	Very high	91.5	Very high	52 Å²	52	52.8 Å²	52.8	32%	0.319	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	137.2	175.9	-46.6	0	0	0	0	111.5	L415 D416 N438 T443	L415-T440 HydrophobicContact CB-CG2 3.92Å; D416-T440 CarbonylContact O-C 3.36Å; D416-T440 VanDerWaalsContact O-CA 3.26Å; D416-T440 WeakPolarHBondContact O-CA 3.41Å; N438-T440 PolarHBondContact O-N 3.08Å; T440-T443 VanDerWaalsContact O-CB 3.27Å; T440-T443 WeakPolarHBondContact O-CB 3.07Å
441	I	87.7	Confident	91.4	Very high	14 Å²	14	50.4 Å²	50.4	7%	0.072	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	146.6	177.5	59	169.5	0	0	0	110.7	D416 T443 I501	D416-I441 HydrophobicContact CB-CD1 4.47Å; D416-I441 HydrophobicContact CB-CG1 4.25Å; D416-I441 WeakPolarHBondContact O-CG1 3.41Å; D416-I441 PolarHBondContact O-N 2.82Å; I441-T443 HydrophobicContact CG2-CG2 4.31Å; I441-I501 HydrophobicContact CB-CG2 4.38Å; I441-I501 HydrophobicContact CG2-CB 4.01Å; I441-I501 HydrophobicContact CG2-CD1 4.2Å; I441-I501 HydrophobicContact CG2-CG2 3.7Å
442	P	88.4	Confident	91.1	Very high	88 Å²	88	52.6 Å²	52.6	57%	0.571	29%	0.286	S	S	*	.	S	Bend	cis	-72	148.7	2	29.6	-34.2	0	0	0	113.3	I501	P442-I501 CarbonylContact C-O 3.58Å; P442-I501 WeakPolarHBondContact CA-O 3.35Å; P442-I501 VanDerWaalsContact CB-O 3.31Å; P442-I501 WeakPolarHBondContact CB-O 3.35Å
443	T	92.4	Very high	90.8	Very high	27 Å²	27	53.4 Å²	53.4	17%	0.166	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	153.3	-178.8	-166.8	0	0	0	0	112.3	I435 T439 T440 I441 D500 I501	I435-T443 HydrophobicContact CD1-CG2 4.01Å; I435-T443 HydrophobicContact CG2-CG2 4.35Å; T439-T443 HydrophobicContact CG2-CG2 3.93Å; T440-T443 VanDerWaalsContact O-CB 3.27Å; T440-T443 WeakPolarHBondContact O-CB 3.07Å; I441-T443 HydrophobicContact CG2-CG2 4.31Å; T443-D500 WeakPolarHBondContact O-CA 3.31Å; T443-I501 HydrophobicContact CG2-CB 4.24Å; T443-I501 HydrophobicContact CG2-CD1 4.02Å; T443-I501 HydrophobicContact CG2-CG1 4.2Å; T443-I501 PolarHBondContact N-O 2.79Å; T443-I501 PolarHBondContact O-N 3.3Å
444	K	93.9	Very high	90.6	Very high	130 Å²	130	56 Å²	56	57%	0.565	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.4	128.4	178.6	-171.3	173.2	-172.8	160.8	0	110.6	T498 F499 D500	K444-T498 HydrophobicContact CD-CG2 4.27Å; K444-T498 HydrophobicContact CG-CG2 3.92Å; K444-F499 CarbonylContact C-O 3.56Å; K444-F499 VanDerWaalsContact CA-O 3.3Å; K444-F499 WeakPolarHBondContact CA-O 3.33Å; K444-D500 HydrophobicContact CG-CB 4.35Å; K444-D500 IonicContact NZ-OD2 2.63Å
445	K	93.9	Very high	90.3	Very high	109 Å²	109	56.7 Å²	56.7	47%	0.474	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	135.8	176.5	-68.6	-65	-176.9	178	0	110.3	I435 T498 F499	I435-K445 HydrophobicContact CD1-CB 4.37Å; I435-K445 HydrophobicContact CD1-CG 4.42Å; I435-K445 HydrophobicContact CG1-CB 3.87Å; I435-K445 HydrophobicContact CG1-CG 3.75Å; K445-T498 CarbonylContact O-C 3.56Å; K445-T498 WeakPolarHBondContact O-CA 3.42Å; K445-F499 PolarHBondContact N-O 3.06Å; K445-F499 PolarHBondContact O-N 2.83Å
446	S	93.8	Very high	90	Very high	65 Å²	65	59 Å²	59	46%	0.455	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	139.4	176.9	-54.9	0	0	0	0	109.9	V497 T498	S446-V497 CarbonylContact C-O 3.54Å; S446-V497 VanDerWaalsContact CA-O 3.28Å; S446-V497 WeakPolarHBondContact CA-O 3.32Å; S446-T498 WeakPolarHBondContact CB-OG1 3.39Å; S446-T498 WeakPolarHBondContact OG-CB 3.48Å; S446-T498 VanDerWaalsContact OG-CG2 3.32Å; S446-T498 WeakPolarHBondContact OG-CG2 3.33Å; S446-T498 PolarHBondContact OG-OG1 2.98Å
447	Q	92.8	Very high	89.8	Confident	84 Å²	84	57.7 Å²	57.7	39%	0.393	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	141	174.3	-176.2	170.5	-11.4	0	0	109.8	L434 F449 V497	L434-Q447 HydrophobicContact CD2-CB 3.81Å; L434-Q447 HydrophobicContact CG-CB 4.22Å; Q447-F449 HydrophobicContact CB-CE2 3.83Å; Q447-F449 HydrophobicContact CB-CZ 4.22Å; Q447-F449 HydrophobicContact CG-CE2 3.89Å; Q447-F449 HydrophobicContact CG-CZ 3.92Å; Q447-F449 WeakPolarHBondContact O-CD2 3.29Å; Q447-V497 PolarHBondContact N-O 2.81Å; Q447-V497 PolarHBondContact O-N 2.91Å
448	V	92.6	Very high	89.8	Confident	58 Å²	58	59.6 Å²	59.6	35%	0.352	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	127.3	178.7	-175.4	0	0	0	0	109.6	Q494 I495 E496 K514	V448-Q494 HydrophobicContact CG1-CB 4Å; V448-Q494 VanDerWaalsContact CG1-OE1 3.24Å; V448-I495 WeakPolarHBondContact CA-O 3.49Å; V448-E496 HydrophobicContact CG2-CB 4.33Å; V448-E496 HydrophobicContact CG2-CG 4.38Å; V448-K514 HydrophobicContact CG2-CD 4.19Å
449	F	90.4	Very high	89.6	Confident	38 Å²	38	59.5 Å²	59.5	17%	0.167	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	177.9	172.2	-63.4	-87.3	0	0	0	109.7	I424 T426 T432 L434 Q447 I495 V497	I424-F449 HydrophobicContact CD1-CD1 4.02Å; I424-F449 HydrophobicContact CD1-CD2 3.79Å; I424-F449 HydrophobicContact CD1-CE1 3.72Å; I424-F449 HydrophobicContact CD1-CE2 3.46Å; I424-F449 VanDerWaalsContact CD1-CE2 3.46Å; I424-F449 HydrophobicContact CD1-CG 4.05Å; I424-F449 HydrophobicContact CD1-CZ 3.44Å; I424-F449 VanDerWaalsContact CD1-CZ 3.44Å; I424-F449 HydrophobicContact CG1-CE1 4.25Å; I424-F449 HydrophobicContact CG1-CE2 4.37Å; I424-F449 HydrophobicContact CG1-CZ 3.96Å; T426-F449 HydrophobicContact CG2-CD1 4.07Å; T426-F449 HydrophobicContact CG2-CE1 3.73Å; T432-F449 HydrophobicContact CG2-CE1 4.1Å; T432-F449 HydrophobicContact CG2-CZ 4.21Å; L434-F449 HydrophobicContact CD1-CE2 4.32Å; L434-F449 HydrophobicContact CD1-CZ 3.95Å; L434-F449 HydrophobicContact CD2-CE2 4.18Å; Q447-F449 HydrophobicContact CB-CE2 3.83Å; Q447-F449 HydrophobicContact CB-CZ 4.22Å; Q447-F449 HydrophobicContact CG-CE2 3.89Å; Q447-F449 HydrophobicContact CG-CZ 3.92Å; Q447-F449 WeakPolarHBondContact O-CD2 3.29Å; F449-I495 PolarHBondContact N-O 3.03Å; F449-I495 PolarHBondContact O-N 3.19Å; F449-V497 HydrophobicContact CD2-CB 4.02Å; F449-V497 HydrophobicContact CD2-CG2 3.72Å; F449-V497 HydrophobicContact CE2-CB 4.05Å; F449-V497 HydrophobicContact CE2-CG2 4.2Å
450	S	87.9	Confident	89.5	Confident	42 Å²	42	61.9 Å²	61.9	29%	0.294	35%	0.351	S	S	.	.			trans	-143	174	176.6	-163.4	0	0	0	0	112	G491 P493	S450-G491 WeakPolarHBondContact OG-CA 3.48Å; S450-G491 PolarHBondContact OG-N 2.69Å; S450-G491 PolarHBondContact OG-O 3.16Å; S450-P493 WeakPolarHBondContact CA-O 3.31Å; S450-P493 VanDerWaalsContact CB-O 3.25Å; S450-P493 WeakPolarHBondContact CB-O 3.36Å; S450-P493 PolarHBondContact OG-O 3.3Å
451	T	86.8	Confident	89.4	Confident	8 Å²	8	59.6 Å²	59.6	5%	0.049	34%	0.337	C	S	.	.			trans	-68.3	145.3	176.3	50.9	0	0	0	0	111.6	Q456 V459 G491 P493	T451-Q456 VanDerWaalsContact CB-OE1 3.27Å; T451-Q456 HydrophobicContact CG2-CB 3.84Å; T451-Q456 HydrophobicContact CG2-CG 3.89Å; T451-V459 HydrophobicContact CG2-CG2 3.83Å; T451-G491 PolarHBondContact O-N 3.22Å; T451-P493 HydrophobicContact CG2-CB 3.99Å; T451-P493 HydrophobicContact CG2-CG 3.72Å; T451-P493 WeakPolarHBondContact OG1-CD 3.35Å
452	A	84.5	Confident	89.6	Confident	54 Å²	54	61.3 Å²	61.3	45%	0.446	34%	0.344	S	S	.	.	S	Bend	trans	-89.1	-17.2	179.8	0	0	0	0	0	113.2	L427	L427-A452 HydrophobicContact CD1-CB 4.16Å
453	A	85.6	Confident	89.7	Confident	51 Å²	51	57.1 Å²	57.1	42%	0.421	32%	0.317	S	S	.	.	S	Bend	trans	-135.5	152.4	-178.3	0	0	0	0	0	112.6	Q456	A453-Q456 HydrophobicContact CB-CB 4.47Å; A453-Q456 VanDerWaalsContact O-CB 3.24Å; A453-Q456 WeakPolarHBondContact O-CB 3.35Å; A453-Q456 PolarHBondContact O-N 3.04Å
454	D	88.8	Confident	89.5	Confident	113 Å²	113	56.7 Å²	56.7	60%	0.604	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	137	175.9	-64.9	-20.9	0	0	0	110.4	Q456 R490	D454-Q456 PolarHBondContact O-N 3.35Å; D454-R490 WeakPolarHBondContact OD1-CB 3.24Å; D454-R490 WeakPolarHBondContact OD1-CG 3.48Å; D454-R490 PolarHBondContact OD1-N 2.98Å
455	G	87.7	Confident	89.1	Confident	35 Å²	35	51.2 Å²	51.2	36%	0.361	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.8	8.8	179.9	0	0	0	0	0	114.6	T457 A488	G455-T457 WeakPolarHBondContact O-CG2 3.26Å; G455-T457 PolarHBondContact O-N 3.1Å; G455-T457 VanDerWaalsContact O-N 3.16Å; G455-A488 PolarHBondContact N-O 3.42Å
456	Q	87	Confident	88.6	Confident	51 Å²	51	46.4 Å²	46.4	24%	0.238	27%	0.27	C	S	.	.			trans	-62	113.9	178	179.2	174.6	4.6	0	0	111.1	T451 A453 D454 Q458	T451-Q456 VanDerWaalsContact CB-OE1 3.27Å; T451-Q456 HydrophobicContact CG2-CB 3.84Å; T451-Q456 HydrophobicContact CG2-CG 3.89Å; A453-Q456 HydrophobicContact CB-CB 4.47Å; A453-Q456 VanDerWaalsContact O-CB 3.24Å; A453-Q456 WeakPolarHBondContact O-CB 3.35Å; A453-Q456 PolarHBondContact O-N 3.04Å; D454-Q456 PolarHBondContact O-N 3.35Å; Q456-Q458 WeakPolarHBondContact CG-O 3.48Å; Q456-Q458 PolarHBondContact NE2-O 3.31Å
457	T	88.4	Confident	88.3	Confident	68 Å²	68	45.6 Å²	45.6	42%	0.417	26%	0.259	S	S	.	.			trans	-96.5	-4	-176.6	56.7	0	0	0	0	114.5	G455 G484 I485 P487	G455-T457 WeakPolarHBondContact O-CG2 3.26Å; G455-T457 PolarHBondContact O-N 3.1Å; G455-T457 VanDerWaalsContact O-N 3.16Å; T457-G484 PolarHBondContact O-N 2.81Å; T457-I485 VanDerWaalsContact CA-O 3.26Å; T457-I485 WeakPolarHBondContact CA-O 3.42Å; T457-I485 WeakPolarHBondContact CB-O 3.33Å; T457-I485 PolarHBondContact O-N 3.4Å; T457-P487 HydrophobicContact CG2-CG 3.85Å
458	Q	88.9	Confident	88	Confident	105 Å²	105	48.3 Å²	48.3	49%	0.491	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	145.6	175.6	67.7	179.7	36.8	0	0	111.3	Q456 L482 V483	Q456-Q458 WeakPolarHBondContact CG-O 3.48Å; Q456-Q458 PolarHBondContact NE2-O 3.31Å; Q458-L482 CarbonylContact C-O 3.56Å; Q458-L482 WeakPolarHBondContact CA-O 3.5Å; Q458-V483 HydrophobicContact CB-CG1 4.11Å
459	V	86.9	Confident	87.9	Confident	19 Å²	19	51.8 Å²	51.8	12%	0.115	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	121.2	173.9	172.1	0	0	0	0	108.9	T451 I461 S481 L482 I485 I495	T451-V459 HydrophobicContact CG2-CG2 3.83Å; V459-I461 HydrophobicContact CG1-CG1 4.09Å; V459-S481 CarbonylContact O-C 3.56Å; V459-S481 WeakPolarHBondContact O-CA 3.39Å; V459-L482 PolarHBondContact N-O 2.87Å; V459-L482 PolarHBondContact O-N 3.48Å; V459-I485 HydrophobicContact CB-CD1 4.04Å; V459-I485 HydrophobicContact CG2-CD1 3.52Å; V459-I495 HydrophobicContact CG2-CG1 4.24Å
460	E	89.6	Confident	87.9	Confident	88 Å²	88	53.7 Å²	53.7	41%	0.411	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	126.6	171.3	-173.1	179.8	-138.3	0	0	109.1	K462 Q479	E460-K462 HydrophobicContact CG-CG 4.34Å; E460-K462 VanDerWaalsContact OE2-CE 3.26Å; E460-K462 WeakPolarHBondContact OE2-CE 3.47Å; E460-K462 IonicContact OE2-NZ 3.92Å; E460-Q479 PolarHBondContact OE1-NE2 3.21Å
461	I	90.3	Very high	87.9	Confident	5 Å²	5	51.7 Å²	51.7	3%	0.026	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	112.3	178.2	-61.6	169.1	0	0	0	107.2	I424 V459 V463 Q479 F480 V497 A511	I424-I461 HydrophobicContact CB-CG2 4.49Å; I424-I461 HydrophobicContact CG2-CG2 3.84Å; V459-I461 HydrophobicContact CG1-CG1 4.09Å; I461-V463 HydrophobicContact CG2-CG2 4.09Å; I461-Q479 CarbonylContact O-C 3.57Å; I461-Q479 WeakPolarHBondContact O-CA 3.45Å; I461-F480 HydrophobicContact CB-CD1 4.17Å; I461-F480 HydrophobicContact CB-CE1 3.79Å; I461-F480 HydrophobicContact CB-CE2 4.36Å; I461-F480 HydrophobicContact CB-CZ 3.9Å; I461-F480 HydrophobicContact CD1-CE1 4.5Å; I461-F480 HydrophobicContact CD1-CE2 3.8Å; I461-F480 HydrophobicContact CD1-CZ 3.74Å; I461-F480 HydrophobicContact CG1-CZ 4.43Å; I461-F480 HydrophobicContact CG2-CD1 4.36Å; I461-F480 HydrophobicContact CG2-CE1 3.61Å; I461-F480 HydrophobicContact CG2-CZ 3.84Å; I461-F480 PolarHBondContact N-O 2.92Å; I461-F480 PolarHBondContact O-N 3.2Å; I461-V497 HydrophobicContact CD1-CG2 3.73Å; I461-A511 HydrophobicContact CD1-CB 3.12Å
462	K	90.8	Very high	87.9	Confident	49 Å²	49	55.6 Å²	55.6	21%	0.213	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	125.5	173.2	-66.7	161.6	178	179.2	0	109	I424 E425 E460 Y464 L476 Q479	I424-K462 WeakPolarHBondContact CA-O 3.46Å; I424-K462 WeakPolarHBondContact CB-O 3.34Å; E425-K462 HydrophobicContact CB-CB 4.3Å; E425-K462 PolarHBondContact N-O 3.29Å; E425-K462 WeakPolarHBondContact OE2-CD 3.41Å; E425-K462 WeakPolarHBondContact OE2-CE 3.34Å; E425-K462 IonicContact OE2-NZ 2.73Å; E425-K462 PolarHBondContact OE2-NZ 2.92Å; E460-K462 HydrophobicContact CG-CG 4.34Å; E460-K462 VanDerWaalsContact OE2-CE 3.26Å; E460-K462 WeakPolarHBondContact OE2-CE 3.47Å; E460-K462 IonicContact OE2-NZ 3.92Å; K462-Y464 HydrophobicContact CB-CD2 4.36Å; K462-Y464 HydrophobicContact CB-CE2 3.53Å; K462-Y464 WeakPolarHBondContact O-CD2 3.26Å; K462-L476 HydrophobicContact CB-CD1 4.04Å; K462-Q479 HydrophobicContact CB-CB 4.34Å; K462-Q479 HydrophobicContact CG-CB 3.69Å
463	V	90.7	Very high	87.9	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	130.4	-173.3	-179.2	0	0	0	0	109.7	G423 I424 I461 L477 G478 F480 F499 V509 I524	G423-V463 WeakPolarHBondContact O-CA 3.11Å; I424-V463 HydrophobicContact CG2-CG2 4.27Å; I461-V463 HydrophobicContact CG2-CG2 4.09Å; V463-L477 HydrophobicContact CG1-CD1 4.39Å; V463-L477 PolarHBondContact O-N 2.89Å; V463-G478 PolarHBondContact N-O 3.48Å; V463-F480 HydrophobicContact CG2-CE1 4.17Å; V463-F499 HydrophobicContact CG1-CE1 3.48Å; V463-F499 VanDerWaalsContact CG1-CE1 3.48Å; V463-F499 HydrophobicContact CG1-CZ 3.76Å; V463-F499 HydrophobicContact CG2-CZ 4.2Å; V463-V509 HydrophobicContact CG1-CG2 4.21Å; V463-V509 HydrophobicContact CG2-CB 4.29Å; V463-V509 HydrophobicContact CG2-CG1 4.04Å; V463-V509 HydrophobicContact CG2-CG2 4.08Å; V463-I524 HydrophobicContact CB-CD1 3.54Å; V463-I524 HydrophobicContact CG1-CD1 3.36Å; V463-I524 HydrophobicContact CG2-CD1 3.84Å
464	Y	89.5	Confident	87.9	Confident	19 Å²	19	55.1 Å²	55.1	8%	0.075	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	155.3	-175.7	-67.9	-97.8	0	0	0	111.8	L422 G423 E425 M431 K462 A471 N474 K475 L476	L422-Y464 WeakPolarHBondContact CA-O 3.46Å; G423-Y464 PolarHBondContact N-O 3.4Å; G423-Y464 VanDerWaalsContact N-O 3.1Å; G423-Y464 PolarHBondContact O-N 3.49Å; E425-Y464 HydrophobicContact CB-CD2 4.25Å; E425-Y464 HydrophobicContact CB-CE2 3.62Å; M431-Y464 WeakPolarHBondContact CE-O 3.31Å; M431-Y464 HydrophobicContact SD-CG 4.48Å; K462-Y464 HydrophobicContact CB-CD2 4.36Å; K462-Y464 HydrophobicContact CB-CE2 3.53Å; K462-Y464 WeakPolarHBondContact O-CD2 3.26Å; Y464-A471 HydrophobicContact CD1-CB 4.46Å; Y464-A471 WeakPolarHBondContact CD1-O 3.18Å; Y464-A471 HydrophobicContact CD2-CB 4.13Å; Y464-A471 HydrophobicContact CE1-CB 4.23Å; Y464-A471 WeakPolarHBondContact CE1-O 3.05Å; Y464-A471 HydrophobicContact CE2-CB 3.9Å; Y464-A471 HydrophobicContact CG-CB 4.42Å; Y464-N474 HydrophobicContact CD1-CB 4.17Å; Y464-K475 CarbonylContact C-O 3.58Å; Y464-K475 VanDerWaalsContact CA-O 3.24Å; Y464-K475 WeakPolarHBondContact CA-O 3.36Å; Y464-L476 HydrophobicContact CD1-CB 4.12Å; Y464-L476 HydrophobicContact CD1-CD1 4.41Å; Y464-L476 HydrophobicContact CD2-CD1 4.4Å; Y464-L476 HydrophobicContact CE1-CB 3.79Å; Y464-L476 HydrophobicContact CE1-CD1 3.94Å; Y464-L476 HydrophobicContact CE1-CG 4.47Å; Y464-L476 HydrophobicContact CE2-CD1 3.9Å
465	Q	84.1	Confident	87.5	Confident	14 Å²	14	53.4 Å²	53.4	7%	0.065	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	125.9	171.5	-173.5	176.5	55	0	0	110.1	L420 S421 L422 K475 L477	L420-Q465 HydrophobicContact CB-CG 3.38Å; L420-Q465 HydrophobicContact CD1-CG 3.72Å; L420-Q465 HydrophobicContact CG-CG 4.18Å; S421-Q465 VanDerWaalsContact O-CA 3.32Å; S421-Q465 WeakPolarHBondContact O-CA 3.4Å; L422-Q465 HydrophobicContact CD2-CB 3.89Å; L422-Q465 HydrophobicContact CD2-CG 3.94Å; Q465-K475 PolarHBondContact N-O 3.04Å; Q465-K475 PolarHBondContact O-N 2.8Å; Q465-L477 HydrophobicContact CB-CD1 3.91Å; Q465-L477 HydrophobicContact CB-CD2 3.94Å; Q465-L477 HydrophobicContact CB-CG 3.93Å
466	G	84.8	Confident	87.4	Confident	8 Å²	8	55.3 Å²	55.3	8%	0.082	27%	0.274	C	S	.	.	S	Bend	trans	147.8	179.3	176.6	0	0	0	0	0	114.4	S421 N474	S421-G466 PolarHBondContact O-N 3.28Å; G466-N474 VanDerWaalsContact CA-OD1 3.24Å; G466-N474 WeakPolarHBondContact CA-OD1 3.43Å
467	E	87	Confident	87.1	Confident	49 Å²	49	53.8 Å²	53.8	23%	0.229	27%	0.268	C	S	.	.	S	Bend	trans	-107.7	-4.8	-170.5	-60.9	-52.9	144	0	0	114.9	S421 K433 R437 N474	S421-E467 WeakPolarHBondContact CB-OE1 3.42Å; S421-E467 PolarHBondContact N-OE1 2.76Å; S421-E467 PolarHBondContact OG-OE1 3.17Å; S421-E467 PolarHBondContact OG-OE2 2.77Å; S421-E467 VanDerWaalsContact OG-OE2 3.04Å; K433-E467 PolarHBondContact NZ-O 3.22Å; K433-E467 IonicContact NZ-OE2 2.88Å; K433-E467 PolarHBondContact NZ-OE2 2.81Å; R437-E467 WeakPolarHBondContact CB-OE1 3.26Å; E467-N474 PolarHBondContact N-OD1 2.91Å; E467-N474 VanDerWaalsContact N-OD1 3.13Å
468	R	86.7	Confident	86.9	Confident	140 Å²	140	51.3 Å²	51.3	53%	0.528	26%	0.255	S	S	.	.			trans	-76.6	149.2	-176.5	-55.7	-71	-63.4	-80.8	-9.8	110.6	M431 D473 N474	M431-R468 WeakPolarHBondContact CB-O 3.36Å; R468-D473 HydrophobicContact CB-CB 3.64Å; R468-D473 HydrophobicContact CG-CB 3.89Å; R468-D473 IonicContact CZ-OD2 3.98Å; R468-D473 IonicContact NE-OD2 2.98Å; R468-D473 IonicContact NH2-OD2 3.81Å; R468-D473 PolarHBondContact NH2-OD2 2.79Å; R468-N474 WeakPolarHBondContact CB-OD1 3.48Å; R468-N474 PolarHBondContact N-OD1 3.44Å; R468-N474 PolarHBondContact O-ND2 2.94Å
469	E	90.3	Very high	86.8	Confident	132 Å²	132	50.8 Å²	50.8	62%	0.617	25%	0.253	S	S	*	.	S	Bend	trans	-71.8	-32.6	-177.4	-61.8	-59.8	150.8	0	0	113.2	M431	M431-E469 WeakPolarHBondContact CB-O 3.36Å; M431-E469 PolarHBondContact N-O 3.48Å
470	M	90.1	Very high	86.9	Confident	77 Å²	77	50.6 Å²	50.6	38%	0.379	25%	0.251	S	S	.	.	B	Isolated β-bridge	trans	-90.8	135.3	176.7	-60.6	-53.8	-64.6	0	0	110.3	G429 S472 D473 N474	G429-M470 WeakPolarHBondContact O-CE 3.43Å; M470-S472 VanDerWaalsContact C-N 3.3Å; M470-S472 PolarHBondContact O-N 3.22Å; M470-D473 PolarHBondContact O-N 2.88Å; M470-N474 PolarHBondContact O-ND2 3.21Å
471	A	87.4	Confident	86.8	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-60.3	-39.9	-179.3	0	0	0	0	0	111.9	E425 G429 Y464 D473 N474	E425-A471 HydrophobicContact CB-CB 3.78Å; E425-A471 HydrophobicContact CG-CB 3.93Å; G429-A471 WeakPolarHBondContact O-CB 3.34Å; G429-A471 PolarHBondContact O-N 2.91Å; Y464-A471 HydrophobicContact CD1-CB 4.46Å; Y464-A471 WeakPolarHBondContact CD1-O 3.18Å; Y464-A471 HydrophobicContact CD2-CB 4.13Å; Y464-A471 HydrophobicContact CE1-CB 4.23Å; Y464-A471 WeakPolarHBondContact CE1-O 3.05Å; Y464-A471 HydrophobicContact CE2-CB 3.9Å; Y464-A471 HydrophobicContact CG-CB 4.42Å; A471-D473 PolarHBondContact O-N 3.06Å; A471-D473 VanDerWaalsContact O-N 3.14Å; A471-N474 PolarHBondContact O-N 3.15Å
472	S	87.7	Confident	86.7	Confident	91 Å²	91	48.4 Å²	48.4	64%	0.636	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-60.4	-22.6	178.7	58.5	0	0	0	0	114.8	M470 N474	M470-S472 VanDerWaalsContact C-N 3.3Å; M470-S472 PolarHBondContact O-N 3.22Å; S472-N474 VanDerWaalsContact C-N 3.34Å
473	D	84.6	Confident	86.6	Confident	77 Å²	77	50.1 Å²	50.1	41%	0.412	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-89.6	-4.1	-179.7	-67.4	-12.2	0	0	0	112.6	R468 M470 A471	R468-D473 HydrophobicContact CB-CB 3.64Å; R468-D473 HydrophobicContact CG-CB 3.89Å; R468-D473 IonicContact CZ-OD2 3.98Å; R468-D473 IonicContact NE-OD2 2.98Å; R468-D473 IonicContact NH2-OD2 3.81Å; R468-D473 PolarHBondContact NH2-OD2 2.79Å; M470-D473 PolarHBondContact O-N 2.88Å; A471-D473 PolarHBondContact O-N 3.06Å; A471-D473 VanDerWaalsContact O-N 3.14Å
474	N	84.2	Confident	86.2	Confident	18 Å²	18	51.6 Å²	51.6	10%	0.096	28%	0.275	C	S	.	.	S	Bend	trans	-106.7	167.5	178.3	-65.7	-61.1	0	0	0	111	Y464 G466 E467 R468 M470 A471 S472 L476	Y464-N474 HydrophobicContact CD1-CB 4.17Å; G466-N474 VanDerWaalsContact CA-OD1 3.24Å; G466-N474 WeakPolarHBondContact CA-OD1 3.43Å; E467-N474 PolarHBondContact N-OD1 2.91Å; E467-N474 VanDerWaalsContact N-OD1 3.13Å; R468-N474 WeakPolarHBondContact CB-OD1 3.48Å; R468-N474 PolarHBondContact N-OD1 3.44Å; R468-N474 PolarHBondContact O-ND2 2.94Å; M470-N474 PolarHBondContact O-ND2 3.21Å; A471-N474 PolarHBondContact O-N 3.15Å; S472-N474 VanDerWaalsContact C-N 3.34Å; N474-L476 PolarHBondContact O-N 3.12Å
475	K	81	Confident	86.1	Confident	76 Å²	76	50.9 Å²	50.9	33%	0.33	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	114.8	178.7	-178.6	67.4	175.1	-169.4	0	109.8	Y464 Q465 L477	Y464-K475 CarbonylContact C-O 3.58Å; Y464-K475 VanDerWaalsContact CA-O 3.24Å; Y464-K475 WeakPolarHBondContact CA-O 3.36Å; Q465-K475 PolarHBondContact N-O 3.04Å; Q465-K475 PolarHBondContact O-N 2.8Å; K475-L477 HydrophobicContact CG-CD2 4.2Å; K475-L477 PolarHBondContact O-N 3.09Å
476	L	85.4	Confident	86.2	Confident	75 Å²	75	53.4 Å²	53.4	39%	0.393	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	124.6	166	179.6	69.5	0	0	0	109.1	K462 Y464 N474	K462-L476 HydrophobicContact CB-CD1 4.04Å; Y464-L476 HydrophobicContact CD1-CB 4.12Å; Y464-L476 HydrophobicContact CD1-CD1 4.41Å; Y464-L476 HydrophobicContact CD2-CD1 4.4Å; Y464-L476 HydrophobicContact CE1-CB 3.79Å; Y464-L476 HydrophobicContact CE1-CD1 3.94Å; Y464-L476 HydrophobicContact CE1-CG 4.47Å; Y464-L476 HydrophobicContact CE2-CD1 3.9Å; N474-L476 PolarHBondContact O-N 3.12Å
477	L	80.9	Confident	86.5	Confident	20 Å²	20	57.9 Å²	57.9	11%	0.105	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-36.9	175.3	-62	-174.1	0	0	0	112.1	D176 L422 V463 Q465 K475 I524	D176-L477 HydrophobicContact CB-CD2 4.38Å; L422-L477 HydrophobicContact CD2-CD1 3.64Å; V463-L477 HydrophobicContact CG1-CD1 4.39Å; V463-L477 PolarHBondContact O-N 2.89Å; Q465-L477 HydrophobicContact CB-CD1 3.91Å; Q465-L477 HydrophobicContact CB-CD2 3.94Å; Q465-L477 HydrophobicContact CB-CG 3.93Å; K475-L477 HydrophobicContact CG-CD2 4.2Å; K475-L477 PolarHBondContact O-N 3.09Å; L477-I524 HydrophobicContact CB-CD1 4.28Å; L477-I524 HydrophobicContact CB-CG2 3.71Å; L477-I524 HydrophobicContact CD1-CG2 4.36Å
478	G	83.7	Confident	86.6	Confident	15 Å²	15	56.6 Å²	56.6	16%	0.155	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.6	170.4	-179.5	0	0	0	0	0	112.5	V463	V463-G478 PolarHBondContact N-O 3.48Å
479	Q	88.2	Confident	86.8	Confident	95 Å²	95	53.8 Å²	53.8	44%	0.444	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	148.3	176.5	65.8	177.1	50.9	0	0	111.6	E460 I461 K462	E460-Q479 PolarHBondContact OE1-NE2 3.21Å; I461-Q479 CarbonylContact O-C 3.57Å; I461-Q479 WeakPolarHBondContact O-CA 3.45Å; K462-Q479 HydrophobicContact CB-CB 4.34Å; K462-Q479 HydrophobicContact CG-CB 3.69Å
480	F	87.9	Confident	86.6	Confident	15 Å²	15	55.8 Å²	55.8	7%	0.066	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	152.7	176.4	63.2	-75	0	0	0	110.5	I461 V463 V509 A511 Q520 I522	I461-F480 HydrophobicContact CB-CD1 4.17Å; I461-F480 HydrophobicContact CB-CE1 3.79Å; I461-F480 HydrophobicContact CB-CE2 4.36Å; I461-F480 HydrophobicContact CB-CZ 3.9Å; I461-F480 HydrophobicContact CD1-CE1 4.5Å; I461-F480 HydrophobicContact CD1-CE2 3.8Å; I461-F480 HydrophobicContact CD1-CZ 3.74Å; I461-F480 HydrophobicContact CG1-CZ 4.43Å; I461-F480 HydrophobicContact CG2-CD1 4.36Å; I461-F480 HydrophobicContact CG2-CE1 3.61Å; I461-F480 HydrophobicContact CG2-CZ 3.84Å; I461-F480 PolarHBondContact N-O 2.92Å; I461-F480 PolarHBondContact O-N 3.2Å; V463-F480 HydrophobicContact CG2-CE1 4.17Å; F480-V509 HydrophobicContact CE1-CB 4.12Å; F480-V509 HydrophobicContact CE1-CG1 3.82Å; F480-V509 HydrophobicContact CZ-CB 4.34Å; F480-V509 HydrophobicContact CZ-CG1 3.81Å; F480-A511 HydrophobicContact CE2-CB 3.57Å; F480-A511 HydrophobicContact CZ-CB 3.97Å; F480-Q520 HydrophobicContact CD2-CB 4.37Å; F480-Q520 HydrophobicContact CD2-CG 3.97Å; F480-Q520 WeakPolarHBondContact CE2-O 3.27Å; F480-I522 HydrophobicContact CB-CB 4.2Å; F480-I522 HydrophobicContact CB-CD1 4.33Å; F480-I522 HydrophobicContact CB-CG2 4.45Å; F480-I522 HydrophobicContact CD1-CB 3.87Å; F480-I522 HydrophobicContact CD1-CG2 3.2Å; F480-I522 HydrophobicContact CE1-CB 4.4Å; F480-I522 HydrophobicContact CE1-CG2 3.39Å; F480-I522 HydrophobicContact CG-CB 4.03Å; F480-I522 HydrophobicContact CG-CG2 3.87Å; F480-I522 HydrophobicContact CZ-CG2 4.19Å
481	S	87.9	Confident	86.5	Confident	43 Å²	43	54.2 Å²	54.2	30%	0.301	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	123.7	179.2	-67.8	0	0	0	0	110.5	V459	V459-S481 CarbonylContact O-C 3.56Å; V459-S481 WeakPolarHBondContact O-CA 3.39Å
482	L	87.8	Confident	86.6	Confident	3 Å²	3	58.3 Å²	58.3	2%	0.016	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	110.6	164.8	179	64.2	0	0	0	108	Q458 V459 I485 I495 A511 D513 Q520	Q458-L482 CarbonylContact C-O 3.56Å; Q458-L482 WeakPolarHBondContact CA-O 3.5Å; V459-L482 PolarHBondContact N-O 2.87Å; V459-L482 PolarHBondContact O-N 3.48Å; L482-I485 HydrophobicContact CD2-CD1 4.46Å; L482-I495 HydrophobicContact CD2-CD1 3.93Å; L482-I495 HydrophobicContact CD2-CG2 3.73Å; L482-A511 HydrophobicContact CD2-CB 4.36Å; L482-D513 HydrophobicContact CD2-CB 4.21Å; L482-Q520 HydrophobicContact CD1-CB 3.84Å
483	V	88	Confident	86.7	Confident	85 Å²	85	54.5 Å²	54.5	52%	0.515	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	155.6	-176.4	-63.4	0	0	0	0	112.1	Q458	Q458-V483 HydrophobicContact CB-CG1 4.11Å
484	G	84.1	Confident	87	Confident	32 Å²	32	55 Å²	55	33%	0.33	32%	0.319	S	S	.	.			trans	85.6	27.8	173	0	0	0	0	0	114.1	T457 K518	T457-G484 PolarHBondContact O-N 2.81Å; G484-K518 WeakPolarHBondContact O-CD 3.29Å; G484-K518 PolarHBondContact O-NZ 2.95Å
485	I	85.6	Confident	87.3	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.021	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-71.5	128.9	167.9	-59.1	165.5	0	0	0	107.5	T457 V459 L482 P493 I495	T457-I485 VanDerWaalsContact CA-O 3.26Å; T457-I485 WeakPolarHBondContact CA-O 3.42Å; T457-I485 WeakPolarHBondContact CB-O 3.33Å; T457-I485 PolarHBondContact O-N 3.4Å; V459-I485 HydrophobicContact CB-CD1 4.04Å; V459-I485 HydrophobicContact CG2-CD1 3.52Å; L482-I485 HydrophobicContact CD2-CD1 4.46Å; I485-P493 HydrophobicContact CG2-CB 3.75Å; I485-P493 HydrophobicContact CG2-CG 3.77Å; I485-I495 HydrophobicContact CD1-CD1 3.76Å; I485-I495 HydrophobicContact CD1-CG1 4.45Å; I485-I495 HydrophobicContact CG1-CD1 4.21Å
486	P	87.8	Confident	87.9	Confident	67 Å²	67	52.8 Å²	52.8	44%	0.435	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-62.2	141.4	176.6	-22.2	34	0	0	0	111.2	A488 T516	P486-A488 PolarHBondContact O-N 3.44Å; P486-A488 VanDerWaalsContact O-N 3.12Å; P486-T516 VanDerWaalsContact CD-CG2 3.46Å; P486-T516 HydrophobicContact CG-CG2 3.51Å
487	P	90	Very high	88.3	Confident	101 Å²	101	49.2 Å²	49.2	66%	0.656	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-56	119.3	174.5	-23.2	32	0	0	0	111.1	T457	T457-P487 HydrophobicContact CG2-CG 3.85Å
488	A	89.3	Confident	88.9	Confident	23 Å²	23	49.1 Å²	49.1	19%	0.19	29%	0.29	C	S	.	.			trans	-144.1	161.2	177.8	0	0	0	0	0	109.8	G455 P486 V492 P493	G455-A488 PolarHBondContact N-O 3.42Å; P486-A488 PolarHBondContact O-N 3.44Å; P486-A488 VanDerWaalsContact O-N 3.12Å; A488-V492 HydrophobicContact CB-CB 4.05Å; A488-V492 HydrophobicContact CB-CG1 4.08Å; A488-P493 HydrophobicContact CB-CG 4.12Å
489	P	90.1	Very high	89.3	Confident	81 Å²	81	48.4 Å²	48.4	53%	0.526	28%	0.283	S	S	.	.			trans	-54.5	148.9	169.5	-23	33.2	0	0	0	111.4	V492	P489-V492 HydrophobicContact CB-CG2 3.99Å; P489-V492 HydrophobicContact CG-CG2 4.29Å; P489-V492 VanDerWaalsContact O-CB 3.32Å; P489-V492 WeakPolarHBondContact O-CB 3.5Å; P489-V492 WeakPolarHBondContact O-CG2 3.35Å; P489-V492 PolarHBondContact O-N 3.01Å; P489-V492 VanDerWaalsContact O-N 3.16Å
490	R	88	Confident	89.4	Confident	174 Å²	174	46.3 Å²	46.3	66%	0.657	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	143.8	174.3	71.4	-176.3	-176.2	166.5	-0.3	110.3	D454 V492	D454-R490 WeakPolarHBondContact OD1-CB 3.24Å; D454-R490 WeakPolarHBondContact OD1-CG 3.48Å; D454-R490 PolarHBondContact OD1-N 2.98Å; R490-V492 PolarHBondContact O-N 3.14Å
491	G	85.9	Confident	89.3	Confident	44 Å²	44	45.6 Å²	45.6	45%	0.454	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	83	-12.6	-178.4	0	0	0	0	0	115.1	S450 T451	S450-G491 WeakPolarHBondContact OG-CA 3.48Å; S450-G491 PolarHBondContact OG-N 2.69Å; S450-G491 PolarHBondContact OG-O 3.16Å; T451-G491 PolarHBondContact O-N 3.22Å
492	V	90.6	Very high	89	Confident	85 Å²	85	45.5 Å²	45.5	52%	0.515	27%	0.268	S	S	.	.			trans	-80.8	-52.2	-179.7	176.9	0	0	0	0	112.6	A488 P489 R490 Q494	A488-V492 HydrophobicContact CB-CB 4.05Å; A488-V492 HydrophobicContact CB-CG1 4.08Å; P489-V492 HydrophobicContact CB-CG2 3.99Å; P489-V492 HydrophobicContact CG-CG2 4.29Å; P489-V492 VanDerWaalsContact O-CB 3.32Å; P489-V492 WeakPolarHBondContact O-CB 3.5Å; P489-V492 WeakPolarHBondContact O-CG2 3.35Å; P489-V492 PolarHBondContact O-N 3.01Å; P489-V492 VanDerWaalsContact O-N 3.16Å; R490-V492 PolarHBondContact O-N 3.14Å; V492-Q494 PolarHBondContact O-N 2.83Å; V492-Q494 PolarHBondContact O-NE2 3.27Å
493	P	89.1	Confident	88.5	Confident	11 Å²	11	47.2 Å²	47.2	7%	0.071	28%	0.282	C	S	.	.	S	Bend	trans	-58.9	134.5	178.3	-24.9	36.9	0	0	0	111.7	S450 T451 I485 A488 I495	S450-P493 WeakPolarHBondContact CA-O 3.31Å; S450-P493 VanDerWaalsContact CB-O 3.25Å; S450-P493 WeakPolarHBondContact CB-O 3.36Å; S450-P493 PolarHBondContact OG-O 3.3Å; T451-P493 HydrophobicContact CG2-CB 3.99Å; T451-P493 HydrophobicContact CG2-CG 3.72Å; T451-P493 WeakPolarHBondContact OG1-CD 3.35Å; I485-P493 HydrophobicContact CG2-CB 3.75Å; I485-P493 HydrophobicContact CG2-CG 3.77Å; A488-P493 HydrophobicContact CB-CG 4.12Å; P493-I495 HydrophobicContact CB-CD1 4.18Å
494	Q	91.5	Very high	87.5	Confident	89 Å²	89	45.5 Å²	45.5	42%	0.416	27%	0.27	S	S	.	.			trans	-106.7	97	-177.3	-63	-64.3	-56.9	0	0	108.8	V448 V492 K514	V448-Q494 HydrophobicContact CG1-CB 4Å; V448-Q494 VanDerWaalsContact CG1-OE1 3.24Å; V492-Q494 PolarHBondContact O-N 2.83Å; V492-Q494 PolarHBondContact O-NE2 3.27Å; Q494-K514 HydrophobicContact CB-CB 4.09Å; Q494-K514 HydrophobicContact CB-CD 4.34Å; Q494-K514 HydrophobicContact CB-CG 4.34Å; Q494-K514 PolarHBondContact O-N 3.45Å
495	I	91	Very high	87	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	102.3	-175.5	-49.8	-51.5	0	0	0	109.2	V448 F449 V459 L482 I485 P493 V497 A511 D513	V448-I495 WeakPolarHBondContact CA-O 3.49Å; F449-I495 PolarHBondContact N-O 3.03Å; F449-I495 PolarHBondContact O-N 3.19Å; V459-I495 HydrophobicContact CG2-CG1 4.24Å; L482-I495 HydrophobicContact CD2-CD1 3.93Å; L482-I495 HydrophobicContact CD2-CG2 3.73Å; I485-I495 HydrophobicContact CD1-CD1 3.76Å; I485-I495 HydrophobicContact CD1-CG1 4.45Å; I485-I495 HydrophobicContact CG1-CD1 4.21Å; P493-I495 HydrophobicContact CB-CD1 4.18Å; I495-V497 HydrophobicContact CG2-CG2 4.36Å; I495-V497 PolarHBondContact O-N 3.46Å; I495-A511 HydrophobicContact CG2-CB 4.42Å; I495-D513 HydrophobicContact CD1-CB 3.87Å
496	E	93.9	Very high	86.4	Confident	45 Å²	45	46.3 Å²	46.3	21%	0.21	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	111.5	176.8	-172	172.1	-94.7	0	0	110	V448 A511 R512 K514	V448-E496 HydrophobicContact CG2-CB 4.33Å; V448-E496 HydrophobicContact CG2-CG 4.38Å; E496-A511 CarbonylContact O-C 3.48Å; E496-A511 VanDerWaalsContact O-CA 3.29Å; E496-A511 WeakPolarHBondContact O-CA 3.11Å; E496-R512 PolarHBondContact N-O 3.45Å; E496-R512 PolarHBondContact O-N 2.92Å; E496-K514 HydrophobicContact CB-CD 4.18Å; E496-K514 HydrophobicContact CB-CG 4.05Å; E496-K514 IonicContact OE1-NZ 2.79Å; E496-K514 PolarHBondContact OE1-NZ 2.97Å
497	V	93	Very high	86.1	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	125	174.1	-176.3	0	0	0	0	108.5	I424 S446 Q447 F449 I461 I495 F499 V509 A510 A511	I424-V497 HydrophobicContact CD1-CG2 4.44Å; I424-V497 HydrophobicContact CG2-CG1 4.46Å; S446-V497 CarbonylContact C-O 3.54Å; S446-V497 VanDerWaalsContact CA-O 3.28Å; S446-V497 WeakPolarHBondContact CA-O 3.32Å; Q447-V497 PolarHBondContact N-O 2.81Å; Q447-V497 PolarHBondContact O-N 2.91Å; F449-V497 HydrophobicContact CD2-CB 4.02Å; F449-V497 HydrophobicContact CD2-CG2 3.72Å; F449-V497 HydrophobicContact CE2-CB 4.05Å; F449-V497 HydrophobicContact CE2-CG2 4.2Å; I461-V497 HydrophobicContact CD1-CG2 3.73Å; I495-V497 HydrophobicContact CG2-CG2 4.36Å; I495-V497 PolarHBondContact O-N 3.46Å; V497-F499 HydrophobicContact CG1-CD2 4.11Å; V497-F499 HydrophobicContact CG1-CE2 3.71Å; V497-V509 HydrophobicContact CG1-CG1 3.83Å; V497-A510 CarbonylContact C-O 3.51Å; V497-A510 WeakPolarHBondContact CA-O 3.31Å; V497-A511 HydrophobicContact CG2-CB 4.29Å
498	T	93.5	Very high	85.9	Confident	17 Å²	17	40.8 Å²	40.8	10%	0.104	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	122	-177.2	-62.5	0	0	0	0	110	K444 K445 S446 V509 A510	K444-T498 HydrophobicContact CD-CG2 4.27Å; K444-T498 HydrophobicContact CG-CG2 3.92Å; K445-T498 CarbonylContact O-C 3.56Å; K445-T498 WeakPolarHBondContact O-CA 3.42Å; S446-T498 WeakPolarHBondContact CB-OG1 3.39Å; S446-T498 WeakPolarHBondContact OG-CB 3.48Å; S446-T498 VanDerWaalsContact OG-CG2 3.32Å; S446-T498 WeakPolarHBondContact OG-CG2 3.33Å; S446-T498 PolarHBondContact OG-OG1 2.98Å; T498-V509 CarbonylContact O-C 3.59Å; T498-V509 VanDerWaalsContact O-CA 3.32Å; T498-V509 WeakPolarHBondContact O-CA 2.81Å; T498-A510 PolarHBondContact N-O 3.25Å; T498-A510 PolarHBondContact O-N 3.43Å
499	F	92.6	Very high	85.9	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	129.9	169.3	-76.1	-112	0	0	0	108.9	L422 I424 L434 I435 K444 K445 V463 V497 V507 N508 V509	L422-F499 HydrophobicContact CB-CD1 3.99Å; L422-F499 HydrophobicContact CB-CE1 3.94Å; L422-F499 HydrophobicContact CD1-CD1 4.36Å; I424-F499 HydrophobicContact CG2-CE2 3.73Å; I424-F499 HydrophobicContact CG2-CZ 3.56Å; L434-F499 HydrophobicContact CB-CD2 4.12Å; L434-F499 HydrophobicContact CB-CE2 4.35Å; L434-F499 HydrophobicContact CD1-CE2 4.1Å; L434-F499 HydrophobicContact CD2-CD2 3.53Å; L434-F499 HydrophobicContact CD2-CE2 3.67Å; L434-F499 HydrophobicContact CG-CD2 4.3Å; L434-F499 HydrophobicContact CG-CE2 4.26Å; I435-F499 HydrophobicContact CD1-CB 3.55Å; I435-F499 HydrophobicContact CD1-CG 4.47Å; I435-F499 HydrophobicContact CG1-CB 4.27Å; K444-F499 CarbonylContact C-O 3.56Å; K444-F499 VanDerWaalsContact CA-O 3.3Å; K444-F499 WeakPolarHBondContact CA-O 3.33Å; K445-F499 PolarHBondContact N-O 3.06Å; K445-F499 PolarHBondContact O-N 2.83Å; V463-F499 HydrophobicContact CG1-CE1 3.48Å; V463-F499 VanDerWaalsContact CG1-CE1 3.48Å; V463-F499 HydrophobicContact CG1-CZ 3.76Å; V463-F499 HydrophobicContact CG2-CZ 4.2Å; V497-F499 HydrophobicContact CG1-CD2 4.11Å; V497-F499 HydrophobicContact CG1-CE2 3.71Å; F499-V507 HydrophobicContact CD1-CG1 3.97Å; F499-V507 HydrophobicContact CE1-CG1 4.48Å; F499-N508 WeakPolarHBondContact CA-O 3.43Å; F499-V509 HydrophobicContact CD1-CG2 3.68Å; F499-V509 HydrophobicContact CD2-CG1 4.15Å; F499-V509 HydrophobicContact CE1-CG1 4.49Å; F499-V509 HydrophobicContact CE1-CG2 3.65Å; F499-V509 HydrophobicContact CE2-CG1 3.91Å; F499-V509 HydrophobicContact CE2-CG2 4.48Å; F499-V509 HydrophobicContact CG-CG2 4.14Å; F499-V509 HydrophobicContact CZ-CG1 4.1Å; F499-V509 HydrophobicContact CZ-CG2 4.08Å
500	D	90.2	Very high	86	Confident	52 Å²	52	36.6 Å²	36.6	28%	0.278	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	114.3	176.4	-170.6	-47.2	0	0	0	108	T443 K444 N508	T443-D500 WeakPolarHBondContact O-CA 3.31Å; K444-D500 HydrophobicContact CG-CB 4.35Å; K444-D500 IonicContact NZ-OD2 2.63Å; D500-N508 HydrophobicContact CB-CB 4.24Å; D500-N508 PolarHBondContact N-O 3.05Å; D500-N508 PolarHBondContact O-N 2.75Å; D500-N508 PolarHBondContact O-ND2 2.81Å
501	I	85.2	Confident	86.2	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	120.5	176.8	-47.2	178.1	0	0	0	107.7	T418 L422 I435 I441 P442 T443 I506 V507	T418-I501 HydrophobicContact CG2-CD1 3.97Å; L422-I501 HydrophobicContact CD1-CD1 3.48Å; L422-I501 VanDerWaalsContact CD1-CD1 3.48Å; L422-I501 HydrophobicContact CD1-CG1 3.94Å; I435-I501 HydrophobicContact CD1-CD1 3.69Å; I435-I501 HydrophobicContact CD1-CG1 3.8Å; I435-I501 HydrophobicContact CG2-CD1 4.03Å; I441-I501 HydrophobicContact CB-CG2 4.38Å; I441-I501 HydrophobicContact CG2-CB 4.01Å; I441-I501 HydrophobicContact CG2-CD1 4.2Å; I441-I501 HydrophobicContact CG2-CG2 3.7Å; P442-I501 CarbonylContact C-O 3.58Å; P442-I501 WeakPolarHBondContact CA-O 3.35Å; P442-I501 VanDerWaalsContact CB-O 3.31Å; P442-I501 WeakPolarHBondContact CB-O 3.35Å; T443-I501 HydrophobicContact CG2-CB 4.24Å; T443-I501 HydrophobicContact CG2-CD1 4.02Å; T443-I501 HydrophobicContact CG2-CG1 4.2Å; T443-I501 PolarHBondContact N-O 2.79Å; T443-I501 PolarHBondContact O-N 3.3Å; I501-I506 WeakPolarHBondContact CA-O 3.41Å; I501-V507 HydrophobicContact CG1-CG2 4.42Å
502	D	82.3	Confident	86.5	Confident	41 Å²	41	31.7 Å²	31.7	22%	0.219	17%	0.172	C	C	.	.			trans	-76.6	179	178	83.8	-6.6	0	0	0	112.2	N504 G505 I506	D502-N504 PolarHBondContact O-N 3.46Å; D502-N504 VanDerWaalsContact OD1-CA 3.28Å; D502-N504 WeakPolarHBondContact OD1-CA 3.35Å; D502-N504 VanDerWaalsContact OD1-CB 3.3Å; D502-N504 WeakPolarHBondContact OD1-CB 3.4Å; D502-N504 PolarHBondContact OD1-N 3.14Å; D502-N504 PolarHBondContact OD2-ND2 2.79Å; D502-N504 VanDerWaalsContact OD2-ND2 3.13Å; D502-G505 PolarHBondContact O-N 3.32Å; D502-G505 PolarHBondContact OD1-N 3.35Å; D502-I506 PolarHBondContact N-O 3.47Å; D502-I506 WeakPolarHBondContact OD1-CB 3.23Å; D502-I506 PolarHBondContact OD1-N 3.32Å
503	A	76.4	Confident	86.6	Confident	39 Å²	39	27.9 Å²	27.9	32%	0.322	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-14.3	179.9	0	0	0	0	0	113.6	R195	R195-A503 VanDerWaalsContact NH1-CB 3.35Å; R195-A503 PolarHBondContact NH1-O 2.76Å
504	N	68.1	Low	86.7	Confident	48 Å²	48	32.9 Å²	32.9	26%	0.257	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-3	174.4	-56.3	-64.3	0	0	0	112.5	R195 D502 I506	R195-N504 WeakPolarHBondContact CD-OD1 3.39Å; D502-N504 PolarHBondContact O-N 3.46Å; D502-N504 VanDerWaalsContact OD1-CA 3.28Å; D502-N504 WeakPolarHBondContact OD1-CA 3.35Å; D502-N504 VanDerWaalsContact OD1-CB 3.3Å; D502-N504 WeakPolarHBondContact OD1-CB 3.4Å; D502-N504 PolarHBondContact OD1-N 3.14Å; D502-N504 PolarHBondContact OD2-ND2 2.79Å; D502-N504 VanDerWaalsContact OD2-ND2 3.13Å; N504-I506 VanDerWaalsContact C-N 3.35Å; N504-I506 HydrophobicContact CB-CD1 4.2Å; N504-I506 HydrophobicContact CB-CG1 4.11Å
505	G	73	Confident	86.5	Confident	19 Å²	19	31.9 Å²	31.9	20%	0.196	18%	0.183	C	C	.	.			trans	81.6	10.3	-172.5	0	0	0	0	0	114.1	D502	D502-G505 PolarHBondContact O-N 3.32Å; D502-G505 PolarHBondContact OD1-N 3.35Å
506	I	73.6	Confident	86.4	Confident	34 Å²	34	34.5 Å²	34.5	17%	0.174	20%	0.2	C	C	.	.			trans	-75.9	127.6	179	-61.5	172.8	0	0	0	109.1	I501 D502 N504	I501-I506 WeakPolarHBondContact CA-O 3.41Å; D502-I506 PolarHBondContact N-O 3.47Å; D502-I506 WeakPolarHBondContact OD1-CB 3.23Å; D502-I506 PolarHBondContact OD1-N 3.32Å; N504-I506 VanDerWaalsContact C-N 3.35Å; N504-I506 HydrophobicContact CB-CD1 4.2Å; N504-I506 HydrophobicContact CB-CG1 4.11Å
507	V	81.2	Confident	86.1	Confident	3 Å²	3	34 Å²	34	2%	0.018	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	121.5	-176.9	-172.5	0	0	0	0	110.6	L422 F499 I501 V509 I524	L422-V507 HydrophobicContact CD1-CB 4.35Å; L422-V507 HydrophobicContact CD1-CG1 3.87Å; L422-V507 HydrophobicContact CD1-CG2 3.47Å; L422-V507 VanDerWaalsContact CD1-CG2 3.47Å; L422-V507 HydrophobicContact CD2-CG2 4.25Å; F499-V507 HydrophobicContact CD1-CG1 3.97Å; F499-V507 HydrophobicContact CE1-CG1 4.48Å; I501-V507 HydrophobicContact CG1-CG2 4.42Å; V507-V509 HydrophobicContact CG1-CG2 3.76Å; V507-I524 HydrophobicContact CB-CB 4.4Å; V507-I524 HydrophobicContact CG1-CD1 4.31Å; V507-I524 WeakPolarHBondContact O-CA 3.34Å; V507-I524 VanDerWaalsContact O-CB 3.31Å; V507-I524 WeakPolarHBondContact O-CB 3.33Å; V507-I524 PolarHBondContact O-N 2.82Å
508	N	85.7	Confident	85.7	Confident	50 Å²	50	38.8 Å²	38.8	27%	0.267	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	128.6	168.1	-54.3	-84.1	0	0	0	108.3	F499 D500 V523	F499-N508 WeakPolarHBondContact CA-O 3.43Å; D500-N508 HydrophobicContact CB-CB 4.24Å; D500-N508 PolarHBondContact N-O 3.05Å; D500-N508 PolarHBondContact O-N 2.75Å; D500-N508 PolarHBondContact O-ND2 2.81Å; N508-V523 WeakPolarHBondContact OD1-CG1 3.47Å; N508-V523 WeakPolarHBondContact OD1-CG2 3.46Å
509	V	89.5	Confident	85.5	Confident	1 Å²	1	43 Å²	43	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	117.7	177.5	-170.5	0	0	0	0	109.3	V463 F480 V497 T498 F499 V507 Q521 I522 I524	V463-V509 HydrophobicContact CG1-CG2 4.21Å; V463-V509 HydrophobicContact CG2-CB 4.29Å; V463-V509 HydrophobicContact CG2-CG1 4.04Å; V463-V509 HydrophobicContact CG2-CG2 4.08Å; F480-V509 HydrophobicContact CE1-CB 4.12Å; F480-V509 HydrophobicContact CE1-CG1 3.82Å; F480-V509 HydrophobicContact CZ-CB 4.34Å; F480-V509 HydrophobicContact CZ-CG1 3.81Å; V497-V509 HydrophobicContact CG1-CG1 3.83Å; T498-V509 CarbonylContact O-C 3.59Å; T498-V509 VanDerWaalsContact O-CA 3.32Å; T498-V509 WeakPolarHBondContact O-CA 2.81Å; F499-V509 HydrophobicContact CD1-CG2 3.68Å; F499-V509 HydrophobicContact CD2-CG1 4.15Å; F499-V509 HydrophobicContact CE1-CG1 4.49Å; F499-V509 HydrophobicContact CE1-CG2 3.65Å; F499-V509 HydrophobicContact CE2-CG1 3.91Å; F499-V509 HydrophobicContact CE2-CG2 4.48Å; F499-V509 HydrophobicContact CG-CG2 4.14Å; F499-V509 HydrophobicContact CZ-CG1 4.1Å; F499-V509 HydrophobicContact CZ-CG2 4.08Å; V507-V509 HydrophobicContact CG1-CG2 3.76Å; V509-Q521 WeakPolarHBondContact O-CA 3.31Å; V509-I522 HydrophobicContact CB-CG2 4.11Å; V509-I522 PolarHBondContact N-O 2.88Å; V509-I522 PolarHBondContact O-N 2.84Å; V509-I524 HydrophobicContact CB-CD1 4.27Å; V509-I524 HydrophobicContact CG2-CD1 3.45Å; V509-I524 VanDerWaalsContact CG2-CD1 3.45Å; V509-I524 HydrophobicContact CG2-CG1 4.02Å
510	A	91.5	Very high	85	Confident	14 Å²	14	47.5 Å²	47.5	12%	0.116	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	144.5	175.1	0	0	0	0	0	110.1	V497 T498 Q521	V497-A510 CarbonylContact C-O 3.51Å; V497-A510 WeakPolarHBondContact CA-O 3.31Å; T498-A510 PolarHBondContact N-O 3.25Å; T498-A510 PolarHBondContact O-N 3.43Å; A510-Q521 HydrophobicContact CB-CB 3.85Å
511	A	91.8	Very high	84.5	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	129	171	0	0	0	0	0	110.3	I461 F480 L482 I495 E496 V497 E519 Q520	I461-A511 HydrophobicContact CD1-CB 3.12Å; F480-A511 HydrophobicContact CE2-CB 3.57Å; F480-A511 HydrophobicContact CZ-CB 3.97Å; L482-A511 HydrophobicContact CD2-CB 4.36Å; I495-A511 HydrophobicContact CG2-CB 4.42Å; E496-A511 CarbonylContact O-C 3.48Å; E496-A511 VanDerWaalsContact O-CA 3.29Å; E496-A511 WeakPolarHBondContact O-CA 3.11Å; V497-A511 HydrophobicContact CG2-CB 4.29Å; A511-E519 CarbonylContact O-C 3.51Å; A511-E519 WeakPolarHBondContact O-CA 3.32Å; A511-Q520 PolarHBondContact N-O 3.34Å; A511-Q520 PolarHBondContact O-N 2.87Å; A511-Q520 VanDerWaalsContact O-O 3.1Å
512	R	92.4	Very high	84	Confident	116 Å²	116	53.2 Å²	53.2	44%	0.438	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	128	-178.1	-175.5	176.6	179.6	-164.7	-1.7	110.3	E496 K514 K518 E519	E496-R512 PolarHBondContact N-O 3.45Å; E496-R512 PolarHBondContact O-N 2.92Å; R512-K514 PolarHBondContact O-N 3.44Å; R512-K518 CarbonylContact C-O 3.55Å; R512-K518 WeakPolarHBondContact CA-O 3.45Å; R512-E519 HydrophobicContact CB-CB 4.29Å; R512-E519 HydrophobicContact CB-CG 4.25Å; R512-E519 HydrophobicContact CG-CB 4.22Å
513	D	92.7	Very high	83.4	Confident	5 Å²	5	54 Å²	54	3%	0.027	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	114.9	165.5	172.8	15.7	0	0	0	108.7	L482 I495 G515 T516 G517 K518	L482-D513 HydrophobicContact CD2-CB 4.21Å; I495-D513 HydrophobicContact CD1-CB 3.87Å; D513-G515 PolarHBondContact O-N 3.33Å; D513-G515 PolarHBondContact OD1-N 2.96Å; D513-T516 WeakPolarHBondContact CB-OG1 3.4Å; D513-T516 WeakPolarHBondContact OD2-CB 3.38Å; D513-T516 VanDerWaalsContact OD2-CG2 3.25Å; D513-T516 WeakPolarHBondContact OD2-CG2 3.49Å; D513-T516 PolarHBondContact OD2-N 3.42Å; D513-T516 PolarHBondContact OD2-OG1 3.43Å; D513-G517 VanDerWaalsContact O-CA 3.25Å; D513-G517 WeakPolarHBondContact O-CA 3.39Å; D513-G517 PolarHBondContact O-N 3.16Å; D513-K518 PolarHBondContact N-O 3.08Å
514	K	91.9	Very high	82.8	Confident	115 Å²	115	52.2 Å²	52.2	50%	0.5	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-21.9	-179.3	-58	-173.1	78.6	139.2	0	112.5	V448 Q494 E496 R512	V448-K514 HydrophobicContact CG2-CD 4.19Å; Q494-K514 HydrophobicContact CB-CB 4.09Å; Q494-K514 HydrophobicContact CB-CD 4.34Å; Q494-K514 HydrophobicContact CB-CG 4.34Å; Q494-K514 PolarHBondContact O-N 3.45Å; E496-K514 HydrophobicContact CB-CD 4.18Å; E496-K514 HydrophobicContact CB-CG 4.05Å; E496-K514 IonicContact OE1-NZ 2.79Å; E496-K514 PolarHBondContact OE1-NZ 2.97Å; R512-K514 PolarHBondContact O-N 3.44Å
515	G	87.3	Confident	82.3	Confident	68 Å²	68	59.3 Å²	59.3	70%	0.701	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-49	179	0	0	0	0	0	112.8	D513	D513-G515 PolarHBondContact O-N 3.33Å; D513-G515 PolarHBondContact OD1-N 2.96Å
516	T	88.5	Confident	81.5	Confident	57 Å²	57	58.9 Å²	58.9	35%	0.35	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-16.1	-179.1	59.8	0	0	0	0	114.3	P486 D513 K518	P486-T516 VanDerWaalsContact CD-CG2 3.46Å; P486-T516 HydrophobicContact CG-CG2 3.51Å; D513-T516 WeakPolarHBondContact CB-OG1 3.4Å; D513-T516 WeakPolarHBondContact OD2-CB 3.38Å; D513-T516 VanDerWaalsContact OD2-CG2 3.25Å; D513-T516 WeakPolarHBondContact OD2-CG2 3.49Å; D513-T516 PolarHBondContact OD2-N 3.42Å; D513-T516 PolarHBondContact OD2-OG1 3.43Å; T516-K518 PolarHBondContact O-N 3.44Å; T516-K518 WeakPolarHBondContact OG1-CB 3.26Å; T516-K518 WeakPolarHBondContact OG1-CG 3.31Å; T516-K518 PolarHBondContact OG1-N 3.05Å
517	G	87.9	Confident	80.7	Confident	33 Å²	33	59.7 Å²	59.7	34%	0.34	32%	0.317	S	S	.	.			trans	72.6	-0.9	-170.8	0	0	0	0	0	113.9	D513 E519	D513-G517 VanDerWaalsContact O-CA 3.25Å; D513-G517 WeakPolarHBondContact O-CA 3.39Å; D513-G517 PolarHBondContact O-N 3.16Å; G517-E519 PolarHBondContact O-N 2.73Å
518	K	85.6	Confident	79.7	Confident	102 Å²	102	59.8 Å²	59.8	44%	0.443	32%	0.319	S	S	.	.			trans	-63.4	134.7	176	-71.4	-179.2	-179.2	175.6	0	109.8	G484 R512 D513 T516	G484-K518 WeakPolarHBondContact O-CD 3.29Å; G484-K518 PolarHBondContact O-NZ 2.95Å; R512-K518 CarbonylContact C-O 3.55Å; R512-K518 WeakPolarHBondContact CA-O 3.45Å; D513-K518 PolarHBondContact N-O 3.08Å; T516-K518 PolarHBondContact O-N 3.44Å; T516-K518 WeakPolarHBondContact OG1-CB 3.26Å; T516-K518 WeakPolarHBondContact OG1-CG 3.31Å; T516-K518 PolarHBondContact OG1-N 3.05Å
519	E	88.2	Confident	79	Confident	105 Å²	105	58.3 Å²	58.3	49%	0.491	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	140	-178.8	-176.5	171.6	-169.7	0	0	109	A511 R512 G517	A511-E519 CarbonylContact O-C 3.51Å; A511-E519 WeakPolarHBondContact O-CA 3.32Å; R512-E519 HydrophobicContact CB-CB 4.29Å; R512-E519 HydrophobicContact CB-CG 4.25Å; R512-E519 HydrophobicContact CG-CB 4.22Å; G517-E519 PolarHBondContact O-N 2.73Å
520	Q	81.8	Confident	78.4	Confident	95 Å²	95	58.9 Å²	58.9	44%	0.444	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	131.7	165.3	-174.4	66.8	-8.5	0	0	107.1	F480 L482 A511	F480-Q520 HydrophobicContact CD2-CB 4.37Å; F480-Q520 HydrophobicContact CD2-CG 3.97Å; F480-Q520 WeakPolarHBondContact CE2-O 3.27Å; L482-Q520 HydrophobicContact CD1-CB 3.84Å; A511-Q520 PolarHBondContact N-O 3.34Å; A511-Q520 PolarHBondContact O-N 2.87Å; A511-Q520 VanDerWaalsContact O-O 3.1Å
521	Q	80.9	Confident	77.9	Confident	128 Å²	128	60.9 Å²	60.9	60%	0.598	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.1	147.3	175.8	62.1	179.3	-0.9	0	0	110.2	V509 A510	V509-Q521 WeakPolarHBondContact O-CA 3.31Å; A510-Q521 HydrophobicContact CB-CB 3.85Å
522	I	74.2	Confident	77.5	Confident	45 Å²	45	68 Å²	68	23%	0.231	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	125.4	165	-166.7	169.1	0	0	0	106.9	F480 V509 I524	F480-I522 HydrophobicContact CB-CB 4.2Å; F480-I522 HydrophobicContact CB-CD1 4.33Å; F480-I522 HydrophobicContact CB-CG2 4.45Å; F480-I522 HydrophobicContact CD1-CB 3.87Å; F480-I522 HydrophobicContact CD1-CG2 3.2Å; F480-I522 HydrophobicContact CE1-CB 4.4Å; F480-I522 HydrophobicContact CE1-CG2 3.39Å; F480-I522 HydrophobicContact CG-CB 4.03Å; F480-I522 HydrophobicContact CG-CG2 3.87Å; F480-I522 HydrophobicContact CZ-CG2 4.19Å; V509-I522 HydrophobicContact CB-CG2 4.11Å; V509-I522 PolarHBondContact N-O 2.88Å; V509-I522 PolarHBondContact O-N 2.84Å; I522-I524 HydrophobicContact CG2-CG1 3.82Å; I522-I524 PolarHBondContact O-N 2.78Å
523	V	68.7	Low	77.2	Confident	56 Å²	56	67.6 Å²	67.6	34%	0.339	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	111	157.2	-178.9	0	0	0	0	104.1	N508 R525	N508-V523 WeakPolarHBondContact OD1-CG1 3.47Å; N508-V523 WeakPolarHBondContact OD1-CG2 3.46Å; V523-R525 HydrophobicContact CB-CG 4.22Å; V523-R525 HydrophobicContact CG1-CG 3.52Å; V523-R525 PolarHBondContact O-N 3.1Å
524	I	64.4	Low	76.8	Confident	3 Å²	3	70 Å²	70	2%	0.015	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	85	172.5	-57.2	-175	0	0	0	105.7	V463 L477 V507 V509 I522 S526	V463-I524 HydrophobicContact CB-CD1 3.54Å; V463-I524 HydrophobicContact CG1-CD1 3.36Å; V463-I524 HydrophobicContact CG2-CD1 3.84Å; L477-I524 HydrophobicContact CB-CD1 4.28Å; L477-I524 HydrophobicContact CB-CG2 3.71Å; L477-I524 HydrophobicContact CD1-CG2 4.36Å; V507-I524 HydrophobicContact CB-CB 4.4Å; V507-I524 HydrophobicContact CG1-CD1 4.31Å; V507-I524 WeakPolarHBondContact O-CA 3.34Å; V507-I524 VanDerWaalsContact O-CB 3.31Å; V507-I524 WeakPolarHBondContact O-CB 3.33Å; V507-I524 PolarHBondContact O-N 2.82Å; V509-I524 HydrophobicContact CB-CD1 4.27Å; V509-I524 HydrophobicContact CG2-CD1 3.45Å; V509-I524 VanDerWaalsContact CG2-CD1 3.45Å; V509-I524 HydrophobicContact CG2-CG1 4.02Å; I522-I524 HydrophobicContact CG2-CG1 3.82Å; I522-I524 PolarHBondContact O-N 2.78Å; I524-S526 PolarHBondContact O-N 3.22Å
525	R	57.5	Low	76.3	Confident	197 Å²	197	65.3 Å²	65.3	74%	0.743	36%	0.36	S	S	*	.			trans	-86.7	92.2	159.1	-53.9	-172.5	179.6	-180	-1.1	103	V523 G527	V523-R525 HydrophobicContact CB-CG 4.22Å; V523-R525 HydrophobicContact CG1-CG 3.52Å; V523-R525 PolarHBondContact O-N 3.1Å; R525-G527 PolarHBondContact O-N 2.99Å
526	S	56.7	Low	76.2	Confident	9 Å²	9	66.4 Å²	66.4	6%	0.063	35%	0.347	C	S	.	.			trans	-57.1	117.7	164.8	-56.9	0	0	0	0	105.1	D176 Q180 I524 G528	D176-S526 WeakPolarHBondContact OD2-CB 3.44Å; D176-S526 PolarHBondContact OD2-N 3.02Å; D176-S526 PolarHBondContact OD2-OG 3.13Å; Q180-S526 WeakPolarHBondContact CB-O 3.49Å; Q180-S526 VanDerWaalsContact CG-O 3.27Å; Q180-S526 WeakPolarHBondContact CG-O 3.43Å; I524-S526 PolarHBondContact O-N 3.22Å; S526-G528 PolarHBondContact O-N 3.27Å
527	G	56.6	Low	76.1	Confident	51 Å²	51	67 Å²	67	53%	0.526	35%	0.348	S	S	.	.			trans	-54	132.1	173.4	0	0	0	0	0	107.1	R525 G529	R525-G527 PolarHBondContact O-N 2.99Å; G527-G529 PolarHBondContact O-N 3.1Å
528	G	59.6	Low	76.1	Confident	6 Å²	6	66 Å²	66	6%	0.062	33%	0.334	C	S	.	.			trans	-68.4	20.4	172.2	0	0	0	0	0	112.7	A181 S526 L530	A181-G528 WeakPolarHBondContact CB-O 3.5Å; S526-G528 PolarHBondContact O-N 3.27Å; G528-L530 VanDerWaalsContact C-N 3.28Å
529	G	70.6	Confident	76	Confident	18 Å²	18	62.7 Å²	62.7	19%	0.186	32%	0.323	C	S	.	.	S	Bend	trans	88.9	-25.3	-166.6	0	0	0	0	0	114.5	N126 D128 G527	N126-G529 PolarHBondContact ND2-O 3.31Å; D128-G529 WeakPolarHBondContact OD2-CA 3.19Å; G527-G529 PolarHBondContact O-N 3.1Å
530	L	78.4	Confident	75.9	Confident	14 Å²	14	64.5 Å²	64.5	7%	0.073	33%	0.325	C	S	.	.			trans	-104.6	133.9	-174.1	-57.2	175.1	0	0	0	112.1	W130 I188 G528 E534 I535 M538	W130-L530 HydrophobicContact CH2-CD2 4.42Å; W130-L530 HydrophobicContact CZ2-CD2 3.71Å; I188-L530 HydrophobicContact CD1-CD1 3.94Å; G528-L530 VanDerWaalsContact C-N 3.28Å; L530-E534 HydrophobicContact CB-CB 4.43Å; L530-E534 HydrophobicContact CD2-CB 4.43Å; L530-I535 HydrophobicContact CB-CD1 4.25Å; L530-I535 HydrophobicContact CB-CG1 3.79Å; L530-I535 HydrophobicContact CD1-CG1 4.31Å; L530-M538 HydrophobicContact CD1-CE 4.22Å; L530-M538 HydrophobicContact CD1-SD 3.61Å; L530-M538 HydrophobicContact CD2-CE 3.57Å; L530-M538 HydrophobicContact CD2-SD 4.11Å; L530-M538 HydrophobicContact CG-SD 4.48Å
531	S	81.3	Confident	76	Confident	55 Å²	55	62.5 Å²	62.5	39%	0.385	32%	0.318	S	S	.	.			trans	-71.3	162.7	167.1	65.3	0	0	0	0	111.4	D533 E534 I535	S531-D533 VanDerWaalsContact C-N 3.28Å; S531-D533 PolarHBondContact O-N 3Å; S531-E534 WeakPolarHBondContact CB-OE2 3.29Å; S531-E534 PolarHBondContact N-OE2 3.2Å; S531-E534 PolarHBondContact O-N 2.89Å; S531-E534 WeakPolarHBondContact OG-CB 3.44Å; S531-E534 VanDerWaalsContact OG-CG 3.23Å; S531-E534 WeakPolarHBondContact OG-CG 3.34Å; S531-E534 PolarHBondContact OG-N 3.13Å; S531-E534 PolarHBondContact OG-OE2 3.47Å; S531-I535 WeakPolarHBondContact O-CG1 3.31Å; S531-I535 PolarHBondContact O-N 3.3Å
532	K	82.6	Confident	75.8	Confident	149 Å²	149	56.7 Å²	56.7	65%	0.648	29%	0.292	S	S	*	.	H	α-helix	trans	-58.8	-41.9	176.8	-169.3	-174.6	178.2	-141.9	0	111.7	I535 E536	K532-I535 PolarHBondContact O-N 2.67Å; K532-E536 WeakPolarHBondContact CE-OE1 3.39Å; K532-E536 IonicContact NZ-OE1 3.78Å; K532-E536 PolarHBondContact NZ-OE1 3.13Å; K532-E536 WeakPolarHBondContact O-CG 3.32Å; K532-E536 PolarHBondContact O-N 2.64Å
533	D	85.4	Confident	76.2	Confident	108 Å²	108	60.6 Å²	60.6	58%	0.578	31%	0.309	S	S	*	.	H	α-helix	trans	-66.5	-39.5	179.4	-62.3	-9.3	0	0	0	111.4	S531 E536 N537	S531-D533 VanDerWaalsContact C-N 3.28Å; S531-D533 PolarHBondContact O-N 3Å; D533-E536 PolarHBondContact O-N 2.89Å; D533-N537 WeakPolarHBondContact O-CB 3.09Å; D533-N537 PolarHBondContact O-N 3.5Å; D533-N537 PolarHBondContact O-ND2 3.25Å; D533-N537 VanDerWaalsContact O-ND2 3.15Å
534	E	84.2	Confident	76.7	Confident	55 Å²	55	63.5 Å²	63.5	26%	0.257	32%	0.319	S	S	.	.	H	α-helix	trans	-61.8	-46.4	171.9	-75.2	166.6	130.7	0	0	111.1	L530 S531 E536 N537 M538	L530-E534 HydrophobicContact CB-CB 4.43Å; L530-E534 HydrophobicContact CD2-CB 4.43Å; S531-E534 WeakPolarHBondContact CB-OE2 3.29Å; S531-E534 PolarHBondContact N-OE2 3.2Å; S531-E534 PolarHBondContact O-N 2.89Å; S531-E534 WeakPolarHBondContact OG-CB 3.44Å; S531-E534 VanDerWaalsContact OG-CG 3.23Å; S531-E534 WeakPolarHBondContact OG-CG 3.34Å; S531-E534 PolarHBondContact OG-N 3.13Å; S531-E534 PolarHBondContact OG-OE2 3.47Å; E534-E536 PolarHBondContact O-N 2.94Å; E534-N537 WeakPolarHBondContact O-CB 3.4Å; E534-N537 PolarHBondContact O-N 3.23Å; E534-M538 WeakPolarHBondContact O-CB 3.41Å; E534-M538 WeakPolarHBondContact O-CG 3.47Å; E534-M538 PolarHBondContact O-N 2.89Å
535	I	81.3	Confident	77.3	Confident	18 Å²	18	66.4 Å²	66.4	9%	0.092	33%	0.33	C	S	.	.	H	α-helix	trans	-59.2	-47.7	177.1	-65.8	165.3	0	0	0	110.5	D184 K187 I188 L530 S531 K532 N537 M538 V539	D184-I535 HydrophobicContact CB-CD1 4.03Å; D184-I535 HydrophobicContact CB-CG1 4.43Å; K187-I535 HydrophobicContact CB-CG2 4.35Å; I188-I535 HydrophobicContact CG1-CG2 4.31Å; L530-I535 HydrophobicContact CB-CD1 4.25Å; L530-I535 HydrophobicContact CB-CG1 3.79Å; L530-I535 HydrophobicContact CD1-CG1 4.31Å; S531-I535 WeakPolarHBondContact O-CG1 3.31Å; S531-I535 PolarHBondContact O-N 3.3Å; K532-I535 PolarHBondContact O-N 2.67Å; I535-N537 VanDerWaalsContact C-N 3.35Å; I535-N537 PolarHBondContact O-N 2.88Å; I535-M538 CarbonylContact O-C 2.88Å; I535-M538 PolarHBondContact O-N 3.49Å; I535-M538 VanDerWaalsContact O-N 3.14Å; I535-V539 HydrophobicContact CG2-CG2 4.3Å; I535-V539 VanDerWaalsContact O-CG2 3.26Å; I535-V539 WeakPolarHBondContact O-CG2 3.5Å; I535-V539 PolarHBondContact O-N 3.34Å
536	E	86.3	Confident	78.2	Confident	90 Å²	90	59.1 Å²	59.1	42%	0.421	31%	0.312	S	S	.	.	H	α-helix	trans	-62.7	-39.5	178.7	-72.1	177.7	-169.4	0	0	112.1	K532 D533 E534 V539 R540	K532-E536 WeakPolarHBondContact CE-OE1 3.39Å; K532-E536 IonicContact NZ-OE1 3.78Å; K532-E536 PolarHBondContact NZ-OE1 3.13Å; K532-E536 WeakPolarHBondContact O-CG 3.32Å; K532-E536 PolarHBondContact O-N 2.64Å; D533-E536 PolarHBondContact O-N 2.89Å; E534-E536 PolarHBondContact O-N 2.94Å; E536-V539 PolarHBondContact O-N 3.42Å; E536-R540 WeakPolarHBondContact O-CG 3.4Å; E536-R540 PolarHBondContact O-N 3.11Å
537	N	87	Confident	79.4	Confident	69 Å²	69	63 Å²	63	37%	0.369	33%	0.329	S	S	.	.	H	α-helix	trans	-62.5	-42.5	172.1	-70	-23.5	0	0	0	111.7	D533 E534 I535 R540 N541	D533-N537 WeakPolarHBondContact O-CB 3.09Å; D533-N537 PolarHBondContact O-N 3.5Å; D533-N537 PolarHBondContact O-ND2 3.25Å; D533-N537 VanDerWaalsContact O-ND2 3.15Å; E534-N537 WeakPolarHBondContact O-CB 3.4Å; E534-N537 PolarHBondContact O-N 3.23Å; I535-N537 VanDerWaalsContact C-N 3.35Å; I535-N537 PolarHBondContact O-N 2.88Å; N537-R540 PolarHBondContact O-N 3.03Å; N537-R540 PolarHBondContact OD1-NH2 2.86Å; N537-N541 WeakPolarHBondContact O-CB 3.43Å; N537-N541 PolarHBondContact O-N 2.92Å; N537-N541 PolarHBondContact O-ND2 3.22Å
538	M	87.5	Confident	80.5	Confident	12 Å²	12	63.8 Å²	63.8	6%	0.059	32%	0.323	C	S	.	.	H	α-helix	trans	-68.3	-37.5	179	-68.3	-179.2	179.1	0	0	112.1	W130 Q142 I188 L530 E534 I535 N541 A542	W130-M538 HydrophobicContact CH2-CE 3.84Å; W130-M538 HydrophobicContact CZ2-CE 4.29Å; W130-M538 HydrophobicContact CZ3-CE 4.5Å; Q142-M538 HydrophobicContact CG-CB 4.27Å; Q142-M538 HydrophobicContact CG-CE 4.01Å; Q142-M538 HydrophobicContact CG-CG 3.88Å; Q142-M538 HydrophobicContact CG-SD 3.31Å; Q142-M538 WeakPolarHBondContact CG-SD 3.43Å; Q142-M538 VanDerWaalsContact NE2-CG 3.29Å; I188-M538 HydrophobicContact CD1-CB 4.08Å; I188-M538 HydrophobicContact CD1-SD 3.8Å; I188-M538 HydrophobicContact CG1-CB 3.94Å; I188-M538 HydrophobicContact CG2-CB 4.08Å; L530-M538 HydrophobicContact CD1-CE 4.22Å; L530-M538 HydrophobicContact CD1-SD 3.61Å; L530-M538 HydrophobicContact CD2-CE 3.57Å; L530-M538 HydrophobicContact CD2-SD 4.11Å; L530-M538 HydrophobicContact CG-SD 4.48Å; E534-M538 WeakPolarHBondContact O-CB 3.41Å; E534-M538 WeakPolarHBondContact O-CG 3.47Å; E534-M538 PolarHBondContact O-N 2.89Å; I535-M538 CarbonylContact O-C 2.88Å; I535-M538 PolarHBondContact O-N 3.49Å; I535-M538 VanDerWaalsContact O-N 3.14Å; M538-N541 PolarHBondContact O-N 3.4Å; M538-A542 VanDerWaalsContact O-CB 3.31Å; M538-A542 WeakPolarHBondContact O-CB 3.32Å; M538-A542 PolarHBondContact O-N 3.31Å
539	V	83.8	Confident	81.3	Confident	34 Å²	34	65.1 Å²	65.1	21%	0.206	33%	0.329	C	S	.	.	H	α-helix	trans	-60	-52	171.7	170.5	0	0	0	0	109.9	I535 E536 N541 A542 E543	I535-V539 HydrophobicContact CG2-CG2 4.3Å; I535-V539 VanDerWaalsContact O-CG2 3.26Å; I535-V539 WeakPolarHBondContact O-CG2 3.5Å; I535-V539 PolarHBondContact O-N 3.34Å; E536-V539 PolarHBondContact O-N 3.42Å; V539-N541 VanDerWaalsContact C-N 3.31Å; V539-N541 PolarHBondContact O-N 2.96Å; V539-A542 WeakPolarHBondContact O-CB 3.35Å; V539-A542 PolarHBondContact O-N 3.42Å; V539-A542 VanDerWaalsContact O-N 3.08Å; V539-E543 WeakPolarHBondContact O-CG 3.37Å; V539-E543 PolarHBondContact O-N 2.67Å
540	R	86.1	Confident	81.8	Confident	143 Å²	143	69.2 Å²	69.2	54%	0.54	34%	0.342	S	S	.	.	H	α-helix	trans	-58.2	-42.9	177.8	-72.2	-170.6	-67.8	160.1	-7.2	112.2	E536 N537 E543 Q544	E536-R540 WeakPolarHBondContact O-CG 3.4Å; E536-R540 PolarHBondContact O-N 3.11Å; N537-R540 PolarHBondContact O-N 3.03Å; N537-R540 PolarHBondContact OD1-NH2 2.86Å; R540-E543 PolarHBondContact O-N 3.29Å; R540-Q544 WeakPolarHBondContact O-CG 3.43Å; R540-Q544 PolarHBondContact O-N 2.83Å
541	N	83.2	Confident	82.1	Confident	53 Å²	53	74.8 Å²	74.8	28%	0.283	37%	0.365	S	S	.	.	H	α-helix	trans	-64.7	-41.1	176.1	-70.7	-18.4	0	0	0	111.5	N537 M538 V539 E543 Q544 Y545	N537-N541 WeakPolarHBondContact O-CB 3.43Å; N537-N541 PolarHBondContact O-N 2.92Å; N537-N541 PolarHBondContact O-ND2 3.22Å; M538-N541 PolarHBondContact O-N 3.4Å; V539-N541 VanDerWaalsContact C-N 3.31Å; V539-N541 PolarHBondContact O-N 2.96Å; N541-E543 VanDerWaalsContact C-N 3.35Å; N541-Q544 PolarHBondContact O-N 2.94Å; N541-Y545 HydrophobicContact CB-CE2 3.88Å; N541-Y545 WeakPolarHBondContact O-CD2 3.5Å; N541-Y545 WeakPolarHBondContact O-CE2 3.31Å; N541-Y545 VanDerWaalsContact O-CG 3.26Å; N541-Y545 PolarHBondContact O-N 3.1Å
542	A	76.5	Confident	82	Confident	6 Å²	6	75.8 Å²	75.8	5%	0.05	36%	0.361	C	S	.	.	H	α-helix	trans	-62.8	-40.9	177.2	0	0	0	0	0	111.9	I149 I188 M538 V539 Y545 A546	I149-A542 HydrophobicContact CD1-CB 4.35Å; I188-A542 HydrophobicContact CG2-CB 4.3Å; I188-A542 WeakPolarHBondContact O-CB 2.95Å; M538-A542 VanDerWaalsContact O-CB 3.31Å; M538-A542 WeakPolarHBondContact O-CB 3.32Å; M538-A542 PolarHBondContact O-N 3.31Å; V539-A542 WeakPolarHBondContact O-CB 3.35Å; V539-A542 PolarHBondContact O-N 3.42Å; V539-A542 VanDerWaalsContact O-N 3.08Å; A542-Y545 PolarHBondContact O-N 2.94Å; A542-A546 WeakPolarHBondContact O-CB 3.1Å; A542-A546 PolarHBondContact O-N 2.88Å
543	E	81.6	Confident	81.8	Confident	126 Å²	126	74.6 Å²	74.6	59%	0.589	35%	0.352	S	S	*	.	H	α-helix	trans	-63.7	-43.9	173.3	-69.7	175.2	162.9	0	0	111.9	V539 R540 N541 Y545 A546 E547	V539-E543 WeakPolarHBondContact O-CG 3.37Å; V539-E543 PolarHBondContact O-N 2.67Å; R540-E543 PolarHBondContact O-N 3.29Å; N541-E543 VanDerWaalsContact C-N 3.35Å; E543-Y545 PolarHBondContact O-N 3.29Å; E543-A546 PolarHBondContact O-N 3.06Å; E543-E547 PolarHBondContact O-N 3.36Å; E543-E547 VanDerWaalsContact O-N 3.1Å
544	Q	80.2	Confident	81.9	Confident	118 Å²	118	71.4 Å²	71.4	55%	0.551	34%	0.335	S	S	*	.	H	α-helix	trans	-61.1	-43.3	174.6	-74.1	176.3	-3.5	0	0	112	R540 N541 E547 V548	R540-Q544 WeakPolarHBondContact O-CG 3.43Å; R540-Q544 PolarHBondContact O-N 2.83Å; N541-Q544 PolarHBondContact O-N 2.94Å; Q544-E547 PolarHBondContact O-N 3Å; Q544-V548 WeakPolarHBondContact O-CG2 3.4Å; Q544-V548 PolarHBondContact O-N 3.27Å
545	Y	77.8	Confident	82	Confident	63 Å²	63	70.5 Å²	70.5	25%	0.247	33%	0.332	C	S	.	.	H	α-helix	trans	-64.9	-39.7	176.2	-63.6	-44.2	0	0	0	112	K136 N541 A542 E543 E547 V548 D549	K136-Y545 PolarHBondContact NZ-OH 3.36Å; N541-Y545 HydrophobicContact CB-CE2 3.88Å; N541-Y545 WeakPolarHBondContact O-CD2 3.5Å; N541-Y545 WeakPolarHBondContact O-CE2 3.31Å; N541-Y545 VanDerWaalsContact O-CG 3.26Å; N541-Y545 PolarHBondContact O-N 3.1Å; A542-Y545 PolarHBondContact O-N 2.94Å; E543-Y545 PolarHBondContact O-N 3.29Å; Y545-E547 VanDerWaalsContact C-N 3.27Å; Y545-E547 PolarHBondContact O-N 2.99Å; Y545-V548 PolarHBondContact O-N 2.49Å; Y545-D549 WeakPolarHBondContact O-CB 3.46Å; Y545-D549 PolarHBondContact O-N 3.39Å
546	A	75.7	Confident	82	Confident	44 Å²	44	73.5 Å²	73.5	36%	0.364	35%	0.351	S	S	.	.	H	α-helix	trans	-59.3	-39.4	175.7	0	0	0	0	0	112	A542 E543 K550	A542-A546 WeakPolarHBondContact O-CB 3.1Å; A542-A546 PolarHBondContact O-N 2.88Å; E543-A546 PolarHBondContact O-N 3.06Å; A546-K550 VanDerWaalsContact O-CB 3.31Å; A546-K550 WeakPolarHBondContact O-CB 3.11Å; A546-K550 PolarHBondContact O-N 2.9Å
547	E	81.1	Confident	82	Confident	92 Å²	92	74.3 Å²	74.3	43%	0.43	36%	0.355	S	S	.	.	H	α-helix	trans	-69.7	-39	176.2	-174.9	59.8	-157.2	0	0	112.6	E543 Q544 Y545 K550 K551	E543-E547 PolarHBondContact O-N 3.36Å; E543-E547 VanDerWaalsContact O-N 3.1Å; Q544-E547 PolarHBondContact O-N 3Å; Y545-E547 VanDerWaalsContact C-N 3.27Å; Y545-E547 PolarHBondContact O-N 2.99Å; E547-K550 PolarHBondContact O-N 3.04Å; E547-K551 WeakPolarHBondContact O-CG 3.32Å; E547-K551 PolarHBondContact O-N 3.46Å; E547-K551 WeakPolarHBondContact OE1-CE 3.4Å
548	V	80.3	Confident	82	Confident	66 Å²	66	71.1 Å²	71.1	40%	0.4	34%	0.338	S	S	.	.	H	α-helix	trans	-64.3	-45.1	174.3	172.7	0	0	0	0	111.1	Q544 Y545 K550 K551 R552	Q544-V548 WeakPolarHBondContact O-CG2 3.4Å; Q544-V548 PolarHBondContact O-N 3.27Å; Y545-V548 PolarHBondContact O-N 2.49Å; V548-K550 VanDerWaalsContact C-N 3.31Å; V548-K550 PolarHBondContact O-N 3.46Å; V548-K551 PolarHBondContact O-N 3.04Å; V548-R552 PolarHBondContact O-N 3.3Å
549	D	75.9	Confident	82	Confident	34 Å²	34	70.9 Å²	70.9	18%	0.182	34%	0.337	C	S	.	.	H	α-helix	trans	-64.1	-38.6	178.7	-66.6	-16	0	0	0	110.9	R76 Y545 R552 R553	R76-D549 IonicContact CZ-OD2 3.28Å; R76-D549 IonicContact NE-OD2 3.35Å; R76-D549 IonicContact NH2-OD2 2.71Å; R76-D549 PolarHBondContact NH2-OD2 2.92Å; Y545-D549 WeakPolarHBondContact O-CB 3.46Å; Y545-D549 PolarHBondContact O-N 3.39Å; D549-R552 PolarHBondContact O-N 3.17Å; D549-R553 WeakPolarHBondContact O-CB 3.4Å; D549-R553 PolarHBondContact O-N 2.91Å
550	K	81.5	Confident	82.1	Confident	105 Å²	105	73.8 Å²	73.8	46%	0.457	35%	0.351	S	S	.	.	H	α-helix	trans	-61.2	-48.1	173.2	-176	-174.6	173	-165.9	0	111.8	A546 E547 V548 R552 R553 D554	A546-K550 VanDerWaalsContact O-CB 3.31Å; A546-K550 WeakPolarHBondContact O-CB 3.11Å; A546-K550 PolarHBondContact O-N 2.9Å; E547-K550 PolarHBondContact O-N 3.04Å; V548-K550 VanDerWaalsContact C-N 3.31Å; V548-K550 PolarHBondContact O-N 3.46Å; K550-R552 VanDerWaalsContact C-N 3.3Å; K550-R552 PolarHBondContact O-N 3.39Å; K550-R553 WeakPolarHBondContact O-CB 3.45Å; K550-R553 PolarHBondContact O-N 2.98Å; K550-D554 VanDerWaalsContact O-CG 3.27Å; K550-D554 PolarHBondContact O-N 2.86Å
551	K	84.5	Confident	82.1	Confident	130 Å²	130	71.5 Å²	71.5	57%	0.565	35%	0.347	S	S	*	.	H	α-helix	trans	-60.7	-39.7	177.2	-73.3	176.5	-178.5	-178.6	0	112.5	E547 V548 D554 L555	E547-K551 WeakPolarHBondContact O-CG 3.32Å; E547-K551 PolarHBondContact O-N 3.46Å; E547-K551 WeakPolarHBondContact OE1-CE 3.4Å; V548-K551 PolarHBondContact O-N 3.04Å; K551-D554 PolarHBondContact O-N 3.39Å; K551-L555 WeakPolarHBondContact O-CB 3.47Å; K551-L555 PolarHBondContact O-N 3.29Å
552	R	79.7	Confident	82.5	Confident	76 Å²	76	69 Å²	69	29%	0.287	33%	0.333	S	S	.	.	H	α-helix	trans	-63	-44.9	174.4	-77.6	177.1	165.9	160.1	-11.3	111.5	D73 G74 E75 V548 D549 K550 L555 V556	D73-R552 PolarHBondContact O-NH2 2.78Å; G74-R552 PolarHBondContact O-NH1 2.83Å; E75-R552 VanDerWaalsContact CA-NH1 3.28Å; V548-R552 PolarHBondContact O-N 3.3Å; D549-R552 PolarHBondContact O-N 3.17Å; K550-R552 VanDerWaalsContact C-N 3.3Å; K550-R552 PolarHBondContact O-N 3.39Å; R552-L555 WeakPolarHBondContact O-CB 3.47Å; R552-L555 PolarHBondContact O-N 2.88Å; R552-V556 WeakPolarHBondContact O-CG2 3.46Å; R552-V556 PolarHBondContact O-N 3.13Å
553	R	79.1	Confident	83.2	Confident	124 Å²	124	73.5 Å²	73.5	47%	0.468	35%	0.353	S	S	.	.	H	α-helix	trans	-58.5	-49.6	174.6	-171.7	-174.3	-55.7	167.5	3.4	111.4	E153 D549 K550 L555 V556 E557	E153-R553 IonicContact OE1-NH2 2.77Å; D549-R553 WeakPolarHBondContact O-CB 3.4Å; D549-R553 PolarHBondContact O-N 2.91Å; K550-R553 WeakPolarHBondContact O-CB 3.45Å; K550-R553 PolarHBondContact O-N 2.98Å; R553-L555 PolarHBondContact O-N 3.26Å; R553-V556 PolarHBondContact O-N 2.98Å; R553-V556 VanDerWaalsContact O-N 3.13Å; R553-E557 WeakPolarHBondContact O-CG 3.39Å; R553-E557 PolarHBondContact O-N 3.45Å
554	D	85.8	Confident	83.6	Confident	42 Å²	42	69.1 Å²	69.1	23%	0.225	34%	0.342	C	S	.	.	H	α-helix	trans	-58.3	-37.4	178.3	-70	-9.4	0	0	0	111.7	K550 K551 S558 A607 R611	K550-D554 VanDerWaalsContact O-CG 3.27Å; K550-D554 PolarHBondContact O-N 2.86Å; K551-D554 PolarHBondContact O-N 3.39Å; D554-S558 WeakPolarHBondContact O-CB 3.45Å; D554-S558 PolarHBondContact O-N 3.47Å; D554-S558 VanDerWaalsContact O-N 3.13Å; D554-S558 PolarHBondContact O-OG 3.27Å; D554-A607 HydrophobicContact CB-CB 4.18Å; D554-R611 PolarHBondContact O-NH2 3.4Å
555	L	87	Confident	84.1	Confident	35 Å²	35	64.9 Å²	64.9	18%	0.183	32%	0.322	C	S	.	.	H	α-helix	trans	-66.4	-48.8	174.7	179.9	67.3	0	0	0	111.6	K551 R552 R553 E557 S558 V559 A607 I610	K551-L555 WeakPolarHBondContact O-CB 3.47Å; K551-L555 PolarHBondContact O-N 3.29Å; R552-L555 WeakPolarHBondContact O-CB 3.47Å; R552-L555 PolarHBondContact O-N 2.88Å; R553-L555 PolarHBondContact O-N 3.26Å; L555-E557 PolarHBondContact O-N 3.36Å; L555-S558 PolarHBondContact O-N 2.93Å; L555-V559 VanDerWaalsContact O-CG2 3.31Å; L555-V559 WeakPolarHBondContact O-CG2 3.31Å; L555-V559 PolarHBondContact O-N 3.39Å; L555-A607 HydrophobicContact CB-CB 4.48Å; L555-I610 HydrophobicContact CD1-CD1 3.65Å
556	V	82.4	Confident	84.7	Confident	81 Å²	81	62.2 Å²	62.2	49%	0.491	31%	0.313	S	S	.	.	H	α-helix	trans	-62.3	-41.8	179.5	172.1	0	0	0	0	111.4	R552 R553 V559 N560	R552-V556 WeakPolarHBondContact O-CG2 3.46Å; R552-V556 PolarHBondContact O-N 3.13Å; R553-V556 PolarHBondContact O-N 2.98Å; R553-V556 VanDerWaalsContact O-N 3.13Å; V556-V559 PolarHBondContact O-N 2.91Å; V556-N560 VanDerWaalsContact O-CG 3.25Å; V556-N560 PolarHBondContact O-N 3.26Å; V556-N560 PolarHBondContact O-ND2 3.42Å
557	E	84.7	Confident	85.5	Confident	107 Å²	107	66 Å²	66	50%	0.5	32%	0.323	S	S	.	.	H	α-helix	trans	-61.4	-44.5	175.4	-74.5	178.8	-172.8	0	0	111.8	R553 L555 V559 N560 Q561	R553-E557 WeakPolarHBondContact O-CG 3.39Å; R553-E557 PolarHBondContact O-N 3.45Å; L555-E557 PolarHBondContact O-N 3.36Å; E557-V559 VanDerWaalsContact C-N 3.35Å; E557-V559 PolarHBondContact O-N 2.97Å; E557-N560 PolarHBondContact O-N 3.47Å; E557-Q561 WeakPolarHBondContact O-CB 3.35Å; E557-Q561 PolarHBondContact O-N 2.92Å
558	S	88.1	Confident	85.9	Confident	2 Å²	2	65.6 Å²	65.6	1%	0.014	32%	0.324	C	S	.	.	H	α-helix	trans	-62.3	-40.3	175	-65.4	0	0	0	0	112.5	D554 L555 A562 A607 I610 R611	D554-S558 WeakPolarHBondContact O-CB 3.45Å; D554-S558 PolarHBondContact O-N 3.47Å; D554-S558 VanDerWaalsContact O-N 3.13Å; D554-S558 PolarHBondContact O-OG 3.27Å; L555-S558 PolarHBondContact O-N 2.93Å; S558-A562 VanDerWaalsContact O-CB 3.24Å; S558-A562 WeakPolarHBondContact O-CB 3.47Å; S558-A562 PolarHBondContact O-N 3.35Å; S558-A607 PolarHBondContact OG-O 3.4Å; S558-I610 WeakPolarHBondContact O-CG2 3.49Å; S558-R611 WeakPolarHBondContact OG-CG 3.36Å; S558-R611 PolarHBondContact OG-NE 3.24Å; S558-R611 PolarHBondContact OG-NH2 3.49Å
559	V	87.8	Confident	86.4	Confident	7 Å²	7	62.7 Å²	62.7	4%	0.042	31%	0.306	C	S	.	.	H	α-helix	trans	-61.1	-49.4	175.1	167.7	0	0	0	0	110.5	L555 V556 E557 Q561 A562 E563 L599 K602 I610	L555-V559 VanDerWaalsContact O-CG2 3.31Å; L555-V559 WeakPolarHBondContact O-CG2 3.31Å; L555-V559 PolarHBondContact O-N 3.39Å; V556-V559 PolarHBondContact O-N 2.91Å; E557-V559 VanDerWaalsContact C-N 3.35Å; E557-V559 PolarHBondContact O-N 2.97Å; V559-Q561 PolarHBondContact O-N 3.44Å; V559-A562 WeakPolarHBondContact O-CB 3.42Å; V559-A562 PolarHBondContact O-N 3.13Å; V559-E563 WeakPolarHBondContact O-CG 3.44Å; V559-E563 PolarHBondContact O-N 3.14Å; V559-L599 HydrophobicContact CB-CD2 4.17Å; V559-L599 HydrophobicContact CG1-CD2 3.95Å; V559-L599 HydrophobicContact CG2-CD2 4.13Å; V559-K602 HydrophobicContact CG1-CD 4.45Å; V559-K602 HydrophobicContact CG2-CB 4.06Å; V559-K602 HydrophobicContact CG2-CD 4.32Å; V559-I610 HydrophobicContact CG2-CD1 3.51Å
560	N	84.2	Confident	87.1	Confident	95 Å²	95	63.7 Å²	63.7	51%	0.508	31%	0.31	S	S	.	.	H	α-helix	trans	-62.9	-42.1	-179.8	-68.2	-20.2	0	0	0	111.8	V556 E557 A562 E563 G564	V556-N560 VanDerWaalsContact O-CG 3.25Å; V556-N560 PolarHBondContact O-N 3.26Å; V556-N560 PolarHBondContact O-ND2 3.42Å; E557-N560 PolarHBondContact O-N 3.47Å; N560-A562 VanDerWaalsContact C-N 3.35Å; N560-E563 PolarHBondContact O-N 3.47Å; N560-G564 PolarHBondContact O-N 3.06Å
561	Q	88.1	Confident	87.4	Confident	96 Å²	96	61.6 Å²	61.6	45%	0.449	31%	0.308	S	S	.	.	H	α-helix	trans	-61.5	-45.3	175.2	-175.8	-178.6	-0.6	0	0	111	E557 V559 G564 I565	E557-Q561 WeakPolarHBondContact O-CB 3.35Å; E557-Q561 PolarHBondContact O-N 2.92Å; V559-Q561 PolarHBondContact O-N 3.44Å; Q561-G564 PolarHBondContact O-N 3.25Å; Q561-I565 VanDerWaalsContact O-CG1 3.31Å; Q561-I565 WeakPolarHBondContact O-CG1 3.27Å; Q561-I565 PolarHBondContact O-N 3.15Å
562	A	91.3	Very high	87.6	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.2	-46.5	178.2	0	0	0	0	0	112.3	S558 V559 N560 G564 I565 V566 L595 L599 I610 T614	S558-A562 VanDerWaalsContact O-CB 3.24Å; S558-A562 WeakPolarHBondContact O-CB 3.47Å; S558-A562 PolarHBondContact O-N 3.35Å; V559-A562 WeakPolarHBondContact O-CB 3.42Å; V559-A562 PolarHBondContact O-N 3.13Å; N560-A562 VanDerWaalsContact C-N 3.35Å; A562-G564 VanDerWaalsContact C-N 3.34Å; A562-G564 PolarHBondContact O-N 3.03Å; A562-I565 PolarHBondContact O-N 2.89Å; A562-V566 WeakPolarHBondContact O-CG2 3.41Å; A562-V566 PolarHBondContact O-N 3.02Å; A562-L595 HydrophobicContact CB-CD1 4.02Å; A562-L595 HydrophobicContact CB-CD2 4.15Å; A562-L595 HydrophobicContact CB-CG 4.31Å; A562-L599 HydrophobicContact CB-CD1 4.11Å; A562-L599 HydrophobicContact CB-CD2 3.65Å; A562-L599 HydrophobicContact CB-CG 4.36Å; A562-I610 HydrophobicContact CB-CG2 3.78Å; A562-T614 HydrophobicContact CB-CG2 4.47Å; A562-T614 VanDerWaalsContact CB-OG1 3.27Å; A562-T614 WeakPolarHBondContact CB-OG1 3.26Å
563	E	90.2	Very high	87.9	Confident	101 Å²	101	56.9 Å²	56.9	47%	0.472	29%	0.29	S	S	.	.	H	α-helix	trans	-59	-43.7	176.5	-74.4	179.6	174.5	0	0	111.9	V559 N560 V566 H567 L599	V559-E563 WeakPolarHBondContact O-CG 3.44Å; V559-E563 PolarHBondContact O-N 3.14Å; N560-E563 PolarHBondContact O-N 3.47Å; E563-V566 PolarHBondContact O-N 3.48Å; E563-H567 PolarHBondContact O-N 3.26Å; E563-L599 HydrophobicContact CG-CD1 3.88Å
564	G	89.3	Confident	88.3	Confident	33 Å²	33	56.4 Å²	56.4	34%	0.34	30%	0.297	S	S	.	.	H	α-helix	trans	-60.9	-45.4	175.2	0	0	0	0	0	112.6	N560 Q561 A562 V566 H567 D568	N560-G564 PolarHBondContact O-N 3.06Å; Q561-G564 PolarHBondContact O-N 3.25Å; A562-G564 VanDerWaalsContact C-N 3.34Å; A562-G564 PolarHBondContact O-N 3.03Å; G564-V566 PolarHBondContact O-N 3.44Å; G564-H567 PolarHBondContact O-N 3Å; G564-D568 WeakPolarHBondContact O-CB 3.43Å; G564-D568 PolarHBondContact O-N 3.12Å
565	I	91.1	Very high	88.3	Confident	29 Å²	29	60 Å²	60	15%	0.149	31%	0.313	C	S	.	.	H	α-helix	trans	-65.1	-39.2	177.4	-66.5	-66.6	0	0	0	111.8	Q561 A562 T569 T614 L617 Q618	Q561-I565 VanDerWaalsContact O-CG1 3.31Å; Q561-I565 WeakPolarHBondContact O-CG1 3.27Å; Q561-I565 PolarHBondContact O-N 3.15Å; A562-I565 PolarHBondContact O-N 2.89Å; I565-T569 VanDerWaalsContact O-CB 3.28Å; I565-T569 WeakPolarHBondContact O-CB 3.24Å; I565-T569 PolarHBondContact O-N 3.21Å; I565-T569 PolarHBondContact O-OG1 2.93Å; I565-T614 HydrophobicContact CB-CG2 4.15Å; I565-T614 HydrophobicContact CG1-CG2 3.91Å; I565-T614 HydrophobicContact CG2-CG2 4.33Å; I565-L617 HydrophobicContact CG2-CD2 3.99Å; I565-L617 HydrophobicContact CG2-CG 4.25Å; I565-Q618 HydrophobicContact CD1-CG 4.47Å; I565-Q618 HydrophobicContact CG2-CB 4.45Å
566	V	92	Very high	88.1	Confident	8 Å²	8	60.5 Å²	60.5	5%	0.048	31%	0.312	C	S	.	.	H	α-helix	trans	-58.4	-53.3	174.5	166.6	0	0	0	0	110	A562 E563 G564 D568 T569 E570 I592 L595 R596 L617	A562-V566 WeakPolarHBondContact O-CG2 3.41Å; A562-V566 PolarHBondContact O-N 3.02Å; E563-V566 PolarHBondContact O-N 3.48Å; G564-V566 PolarHBondContact O-N 3.44Å; V566-D568 PolarHBondContact O-N 2.96Å; V566-T569 PolarHBondContact O-N 3.37Å; V566-E570 WeakPolarHBondContact O-CG 3.46Å; V566-E570 PolarHBondContact O-N 3.01Å; V566-I592 HydrophobicContact CG1-CG2 3.89Å; V566-L595 HydrophobicContact CG2-CB 4.32Å; V566-L595 HydrophobicContact CG2-CD2 3.57Å; V566-L595 HydrophobicContact CG2-CG 3.94Å; V566-R596 HydrophobicContact CG1-CG 4.42Å; V566-L617 HydrophobicContact CG2-CD2 4.05Å
567	H	90.7	Very high	88.1	Confident	122 Å²	122	62.3 Å²	62.3	57%	0.565	31%	0.314	S	S	*	.	H	α-helix	trans	-59.1	-48.2	-179.1	177.2	-83	0	0	0	112.2	E563 G564 T569 E570 S571	E563-H567 PolarHBondContact O-N 3.26Å; G564-H567 PolarHBondContact O-N 3Å; H567-T569 VanDerWaalsContact C-N 3.31Å; H567-T569 PolarHBondContact O-N 3.5Å; H567-E570 PolarHBondContact O-N 2.95Å; H567-S571 WeakPolarHBondContact O-CB 3.45Å; H567-S571 PolarHBondContact O-N 3.45Å
568	D	89.9	Confident	88	Confident	85 Å²	85	64.4 Å²	64.4	46%	0.455	33%	0.328	S	S	.	.	H	α-helix	trans	-61.6	-39.9	178.9	-81.3	2.4	0	0	0	112.2	G564 V566 K572	G564-D568 WeakPolarHBondContact O-CB 3.43Å; G564-D568 PolarHBondContact O-N 3.12Å; V566-D568 PolarHBondContact O-N 2.96Å; D568-K572 WeakPolarHBondContact O-CG 3.45Å; D568-K572 PolarHBondContact O-N 3.37Å; D568-K572 VanDerWaalsContact O-N 3.12Å
569	T	90.5	Very high	87.7	Confident	5 Å²	5	67.4 Å²	67.4	3%	0.031	34%	0.342	C	S	.	.	H	α-helix	trans	-68.4	-43.9	179.3	-53.9	0	0	0	0	110.8	I565 V566 H567 K572 I573 L588 I592 L617 F625	I565-T569 VanDerWaalsContact O-CB 3.28Å; I565-T569 WeakPolarHBondContact O-CB 3.24Å; I565-T569 PolarHBondContact O-N 3.21Å; I565-T569 PolarHBondContact O-OG1 2.93Å; V566-T569 PolarHBondContact O-N 3.37Å; H567-T569 VanDerWaalsContact C-N 3.31Å; H567-T569 PolarHBondContact O-N 3.5Å; T569-K572 PolarHBondContact O-N 3.35Å; T569-I573 HydrophobicContact CG2-CD1 4.02Å; T569-I573 VanDerWaalsContact O-CG1 3.26Å; T569-I573 WeakPolarHBondContact O-CG1 3.31Å; T569-I573 PolarHBondContact O-N 2.89Å; T569-L588 HydrophobicContact CG2-CD1 4.28Å; T569-I592 HydrophobicContact CG2-CD1 4.13Å; T569-L617 HydrophobicContact CG2-CD1 4.1Å; T569-F625 HydrophobicContact CG2-CE2 4.41Å; T569-F625 HydrophobicContact CG2-CZ 4.43Å
570	E	90.2	Very high	87.4	Confident	55 Å²	55	67.5 Å²	67.5	26%	0.257	34%	0.342	S	S	.	.	H	α-helix	trans	-61.7	-44.3	176	-74.9	-174.1	127.7	0	0	112.5	V566 H567 K572 I573 N574 I592 R596	V566-E570 WeakPolarHBondContact O-CG 3.46Å; V566-E570 PolarHBondContact O-N 3.01Å; H567-E570 PolarHBondContact O-N 2.95Å; E570-K572 VanDerWaalsContact C-N 3.33Å; E570-K572 PolarHBondContact O-N 2.94Å; E570-I573 PolarHBondContact O-N 3.34Å; E570-N574 PolarHBondContact O-N 3.4Å; E570-N574 VanDerWaalsContact O-N 3.1Å; E570-N574 PolarHBondContact O-ND2 3.34Å; E570-I592 HydrophobicContact CG-CD1 3.74Å; E570-I592 HydrophobicContact CG-CG2 4.28Å; E570-R596 IonicContact OE1-CZ 2.85Å; E570-R596 IonicContact OE1-NH1 3.15Å; E570-R596 PolarHBondContact OE1-NH1 2.89Å; E570-R596 IonicContact OE1-NH2 3.4Å; E570-R596 PolarHBondContact OE1-NH2 3.38Å; E570-R596 IonicContact OE2-CZ 3.51Å; E570-R596 IonicContact OE2-NH2 3.3Å; E570-R596 PolarHBondContact OE2-NH2 3.5Å
571	S	89.2	Confident	87.4	Confident	60 Å²	60	65.1 Å²	65.1	42%	0.42	33%	0.332	S	S	.	.	H	α-helix	trans	-58.2	-46.8	177.1	-173.5	0	0	0	0	111.2	H567 N574 E575	H567-S571 WeakPolarHBondContact O-CB 3.45Å; H567-S571 PolarHBondContact O-N 3.45Å; S571-N574 PolarHBondContact O-N 2.75Å; S571-E575 PolarHBondContact O-N 3.24Å
572	K	87.4	Confident	87.2	Confident	90 Å²	90	63.4 Å²	63.4	39%	0.391	33%	0.334	S	S	.	.	H	α-helix	trans	-69.4	-35.1	179.2	-71.2	175.7	-179	173.8	0	113	D568 T569 E570 N574 E575 Y576 F625	D568-K572 WeakPolarHBondContact O-CG 3.45Å; D568-K572 PolarHBondContact O-N 3.37Å; D568-K572 VanDerWaalsContact O-N 3.12Å; T569-K572 PolarHBondContact O-N 3.35Å; E570-K572 VanDerWaalsContact C-N 3.33Å; E570-K572 PolarHBondContact O-N 2.94Å; K572-N574 PolarHBondContact O-N 2.89Å; K572-E575 PolarHBondContact O-N 3.03Å; K572-Y576 HydrophobicContact CB-CD2 4.29Å; K572-Y576 HydrophobicContact CB-CE2 4.45Å; K572-Y576 VanDerWaalsContact O-CD2 3.24Å; K572-Y576 WeakPolarHBondContact O-CD2 3.47Å; K572-Y576 PolarHBondContact O-N 3.23Å; K572-F625 HydrophobicContact CB-CD1 4.25Å; K572-F625 HydrophobicContact CB-CD2 4.4Å; K572-F625 HydrophobicContact CB-CE1 3.51Å; K572-F625 HydrophobicContact CB-CE2 3.67Å; K572-F625 HydrophobicContact CB-CZ 3.19Å; K572-F625 HydrophobicContact CD-CD2 3.86Å; K572-F625 HydrophobicContact CD-CE2 3.62Å; K572-F625 HydrophobicContact CD-CG 4.47Å; K572-F625 HydrophobicContact CD-CZ 4.07Å; K572-F625 HydrophobicContact CG-CE2 4.32Å; K572-F625 HydrophobicContact CG-CZ 4.27Å
573	I	87.9	Confident	87	Confident	17 Å²	17	67.6 Å²	67.6	9%	0.087	36%	0.357	C	S	.	.	H	α-helix	trans	-59.4	-39.1	172.9	-72.8	166.9	0	0	0	110.6	T569 E570 K577 R585 L588 I592 F625	T569-I573 HydrophobicContact CG2-CD1 4.02Å; T569-I573 VanDerWaalsContact O-CG1 3.26Å; T569-I573 WeakPolarHBondContact O-CG1 3.31Å; T569-I573 PolarHBondContact O-N 2.89Å; E570-I573 PolarHBondContact O-N 3.34Å; I573-K577 WeakPolarHBondContact O-CA 3.42Å; I573-K577 PolarHBondContact O-N 2.56Å; I573-R585 HydrophobicContact CG2-CG 4.43Å; I573-L588 HydrophobicContact CD1-CB 3.77Å; I573-L588 HydrophobicContact CD1-CD1 3.9Å; I573-L588 HydrophobicContact CG1-CD1 4.03Å; I573-I592 HydrophobicContact CD1-CD1 3.76Å; I573-F625 HydrophobicContact CG1-CZ 4.23Å
574	N	86.4	Confident	86.8	Confident	115 Å²	115	65.8 Å²	65.8	62%	0.615	35%	0.348	S	S	*	.	H	α-helix	trans	-72.6	-41.2	177.2	-72.4	-35.3	0	0	0	112.6	E570 S571 K572 K577	E570-N574 PolarHBondContact O-N 3.4Å; E570-N574 VanDerWaalsContact O-N 3.1Å; E570-N574 PolarHBondContact O-ND2 3.34Å; S571-N574 PolarHBondContact O-N 2.75Å; K572-N574 PolarHBondContact O-N 2.89Å; N574-K577 WeakPolarHBondContact O-CB 3.43Å; N574-K577 PolarHBondContact O-N 3.01Å
575	E	85.1	Confident	86.7	Confident	117 Å²	117	67.2 Å²	67.2	55%	0.547	34%	0.343	S	S	.	.	H	α-helix	trans	-62.4	-46	177.8	-173.2	-173.6	156.1	0	0	112	S571 K572 K577	S571-E575 PolarHBondContact O-N 3.24Å; K572-E575 PolarHBondContact O-N 3.03Å; E575-K577 VanDerWaalsContact C-N 3.34Å
576	Y	83.8	Confident	86.6	Confident	45 Å²	45	72.3 Å²	72.3	18%	0.176	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	21.7	-177.6	-59.6	-70.8	0	0	0	113.2	K572 D578 Q579 L580 F625 M632	K572-Y576 HydrophobicContact CB-CD2 4.29Å; K572-Y576 HydrophobicContact CB-CE2 4.45Å; K572-Y576 VanDerWaalsContact O-CD2 3.24Å; K572-Y576 WeakPolarHBondContact O-CD2 3.47Å; K572-Y576 PolarHBondContact O-N 3.23Å; Y576-D578 PolarHBondContact O-N 3.39Å; Y576-D578 VanDerWaalsContact O-N 3.11Å; Y576-Q579 PolarHBondContact O-N 2.92Å; Y576-Q579 PolarHBondContact O-OE1 3.35Å; Y576-Q579 VanDerWaalsContact O-OE1 3.13Å; Y576-L580 WeakPolarHBondContact O-CG 3.17Å; Y576-L580 PolarHBondContact O-N 3.1Å; Y576-L580 VanDerWaalsContact O-N 3.13Å; Y576-F625 HydrophobicContact CD2-CD1 4.1Å; Y576-F625 HydrophobicContact CD2-CE1 4.28Å; Y576-M632 HydrophobicContact CD1-SD 4.44Å; Y576-M632 HydrophobicContact CE1-CE 4.14Å; Y576-M632 HydrophobicContact CE1-SD 4.31Å
577	K	82.9	Confident	86.5	Confident	120 Å²	120	77.1 Å²	77.1	52%	0.522	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-40.6	-171.4	-174.2	177.6	178.4	-179.8	0	111.9	I573 N574 E575 R585	I573-K577 WeakPolarHBondContact O-CA 3.42Å; I573-K577 PolarHBondContact O-N 2.56Å; N574-K577 WeakPolarHBondContact O-CB 3.43Å; N574-K577 PolarHBondContact O-N 3.01Å; E575-K577 VanDerWaalsContact C-N 3.34Å; K577-R585 PolarHBondContact O-NH1 3.08Å
578	D	82.5	Confident	86.4	Confident	150 Å²	150	71.4 Å²	71.4	80%	0.802	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-20.6	-175.8	-60.2	-32.7	0	0	0	113.6	Y576	Y576-D578 PolarHBondContact O-N 3.39Å; Y576-D578 VanDerWaalsContact O-N 3.11Å
579	Q	80.5	Confident	86.4	Confident	66 Å²	66	70 Å²	70	31%	0.308	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-15.6	-177.1	-59.2	81.1	5.3	0	0	113	Y576 M632	Y576-Q579 PolarHBondContact O-N 2.92Å; Y576-Q579 PolarHBondContact O-OE1 3.35Å; Y576-Q579 VanDerWaalsContact O-OE1 3.13Å; Q579-M632 HydrophobicContact CG-CG 4.28Å; Q579-M632 HydrophobicContact CG-SD 4.27Å
580	L	81.2	Confident	86.6	Confident	8 Å²	8	74.3 Å²	74.3	4%	0.042	38%	0.383	C	S	.	.	S	Bend	trans	-91.1	138.3	-176.1	-68.6	176.5	0	0	0	112.6	Y576 R585 L624 F625 A628	Y576-L580 WeakPolarHBondContact O-CG 3.17Å; Y576-L580 PolarHBondContact O-N 3.1Å; Y576-L580 VanDerWaalsContact O-N 3.13Å; L580-R585 HydrophobicContact CB-CG 3.67Å; L580-R585 HydrophobicContact CD1-CG 4.12Å; L580-R585 PolarHBondContact O-NH1 3.23Å; L580-L624 HydrophobicContact CD1-CD2 4.13Å; L580-L624 HydrophobicContact CD2-CD1 3.74Å; L580-L624 HydrophobicContact CD2-CD2 3.82Å; L580-L624 HydrophobicContact CD2-CG 3.48Å; L580-L624 VanDerWaalsContact CD2-CG 3.48Å; L580-L624 HydrophobicContact CG-CD2 4.47Å; L580-F625 HydrophobicContact CD1-CE1 4.03Å; L580-A628 HydrophobicContact CD2-CB 3.77Å
581	P	84.9	Confident	86.7	Confident	46 Å²	46	73 Å²	73	30%	0.299	38%	0.378	S	S	.	.			trans	-59.8	138.5	169	-21.7	33.2	0	0	0	111.7	D583 E584 R585	P581-D583 VanDerWaalsContact C-N 3.32Å; P581-D583 WeakPolarHBondContact CB-OD1 3.45Å; P581-D583 PolarHBondContact O-N 3.42Å; P581-E584 HydrophobicContact CB-CB 4.21Å; P581-E584 HydrophobicContact CB-CG 4.1Å; P581-E584 HydrophobicContact CG-CG 4.26Å; P581-E584 PolarHBondContact O-N 2.88Å; P581-R585 WeakPolarHBondContact O-CG 3.39Å; P581-R585 PolarHBondContact O-N 3.22Å; P581-R585 VanDerWaalsContact O-N 3.08Å
582	A	85.2	Confident	86.9	Confident	60 Å²	60	70.4 Å²	70.4	50%	0.496	36%	0.359	S	S	.	.	H	α-helix	trans	-62.6	-38.9	-176	0	0	0	0	0	113.1	R585 E586	A582-R585 PolarHBondContact O-N 2.92Å; A582-E586 PolarHBondContact O-N 3.36Å; A582-E586 VanDerWaalsContact O-N 3.09Å
583	D	86.3	Confident	87.2	Confident	88 Å²	88	71.2 Å²	71.2	47%	0.471	36%	0.364	S	S	.	.	H	α-helix	trans	-65.3	-39.3	177.7	62.6	-48.3	0	0	0	112.3	P581 E586 K587	P581-D583 VanDerWaalsContact C-N 3.32Å; P581-D583 WeakPolarHBondContact CB-OD1 3.45Å; P581-D583 PolarHBondContact O-N 3.42Å; D583-E586 PolarHBondContact O-N 3.37Å; D583-K587 WeakPolarHBondContact O-CG 3.31Å; D583-K587 PolarHBondContact O-N 3.2Å; D583-K587 VanDerWaalsContact O-N 3.08Å
584	E	86.1	Confident	87.5	Confident	63 Å²	63	74.3 Å²	74.3	29%	0.294	38%	0.377	S	S	.	.	H	α-helix	trans	-70.8	-37.4	176.2	-69	-63.5	152.4	0	0	112.4	P581 E586 K587 L588 L624	P581-E584 HydrophobicContact CB-CB 4.21Å; P581-E584 HydrophobicContact CB-CG 4.1Å; P581-E584 HydrophobicContact CG-CG 4.26Å; P581-E584 PolarHBondContact O-N 2.88Å; E584-E586 VanDerWaalsContact C-N 3.29Å; E584-E586 PolarHBondContact O-N 2.97Å; E584-K587 PolarHBondContact O-N 2.87Å; E584-K587 IonicContact OE1-NZ 2.92Å; E584-K587 PolarHBondContact OE1-NZ 3.19Å; E584-K587 IonicContact OE2-NZ 3.85Å; E584-L588 PolarHBondContact O-N 2.77Å; E584-L588 VanDerWaalsContact O-N 3.12Å; E584-L624 HydrophobicContact CB-CD1 3.45Å; E584-L624 VanDerWaalsContact CB-CD1 3.45Å; E584-L624 HydrophobicContact CB-CD2 4Å; E584-L624 HydrophobicContact CB-CG 4.35Å; E584-L624 HydrophobicContact CG-CD1 3.86Å
585	R	86.3	Confident	87.7	Confident	62 Å²	62	68.9 Å²	68.9	23%	0.234	35%	0.348	C	S	.	.	H	α-helix	trans	-61.3	-39.6	172.3	-68.7	-168.4	-53.8	-103.9	-6.8	111.6	I573 K577 L580 P581 A582 L588 S589	I573-R585 HydrophobicContact CG2-CG 4.43Å; K577-R585 PolarHBondContact O-NH1 3.08Å; L580-R585 HydrophobicContact CB-CG 3.67Å; L580-R585 HydrophobicContact CD1-CG 4.12Å; L580-R585 PolarHBondContact O-NH1 3.23Å; P581-R585 WeakPolarHBondContact O-CG 3.39Å; P581-R585 PolarHBondContact O-N 3.22Å; P581-R585 VanDerWaalsContact O-N 3.08Å; A582-R585 PolarHBondContact O-N 2.92Å; R585-L588 PolarHBondContact O-N 3.43Å; R585-S589 WeakPolarHBondContact O-CB 3.39Å; R585-S589 PolarHBondContact O-N 2.84Å; R585-S589 PolarHBondContact O-OG 3.46Å
586	E	88.6	Confident	88.1	Confident	136 Å²	136	67.3 Å²	67.3	64%	0.636	34%	0.337	S	S	*	.	H	α-helix	trans	-67.4	-41.8	179	-168.1	159.6	-167.1	0	0	111.5	A582 D583 E584 L588 S589 V590	A582-E586 PolarHBondContact O-N 3.36Å; A582-E586 VanDerWaalsContact O-N 3.09Å; D583-E586 PolarHBondContact O-N 3.37Å; E584-E586 VanDerWaalsContact C-N 3.29Å; E584-E586 PolarHBondContact O-N 2.97Å; E586-L588 PolarHBondContact O-N 2.79Å; E586-S589 WeakPolarHBondContact O-CB 3.45Å; E586-S589 PolarHBondContact O-N 2.7Å; E586-V590 WeakPolarHBondContact O-CG2 3.45Å; E586-V590 PolarHBondContact O-N 3.35Å
587	K	90	Very high	88.5	Confident	109 Å²	109	68.3 Å²	68.3	47%	0.474	35%	0.351	S	S	.	.	H	α-helix	trans	-57.4	-45.2	172.7	-70.5	173.5	-162.9	165.5	0	112.6	D583 E584 V590 L591	D583-K587 WeakPolarHBondContact O-CG 3.31Å; D583-K587 PolarHBondContact O-N 3.2Å; D583-K587 VanDerWaalsContact O-N 3.08Å; E584-K587 PolarHBondContact O-N 2.87Å; E584-K587 IonicContact OE1-NZ 2.92Å; E584-K587 PolarHBondContact OE1-NZ 3.19Å; E584-K587 IonicContact OE2-NZ 3.85Å; K587-V590 PolarHBondContact O-N 2.88Å; K587-L591 PolarHBondContact O-N 3.08Å; K587-L591 VanDerWaalsContact O-N 3.15Å
588	L	89.5	Confident	88.9	Confident	3 Å²	3	65.3 Å²	65.3	2%	0.016	34%	0.336	C	S	.	.	H	α-helix	trans	-65.1	-40.2	176.3	-76	-177.4	0	0	0	112.2	T569 I573 E584 R585 E586 V590 L591 I592 L617 A620 L624	T569-L588 HydrophobicContact CG2-CD1 4.28Å; I573-L588 HydrophobicContact CD1-CB 3.77Å; I573-L588 HydrophobicContact CD1-CD1 3.9Å; I573-L588 HydrophobicContact CG1-CD1 4.03Å; E584-L588 PolarHBondContact O-N 2.77Å; E584-L588 VanDerWaalsContact O-N 3.12Å; R585-L588 PolarHBondContact O-N 3.43Å; E586-L588 PolarHBondContact O-N 2.79Å; L588-V590 VanDerWaalsContact C-N 3.27Å; L588-V590 PolarHBondContact O-N 2.63Å; L588-L591 PolarHBondContact O-N 3.44Å; L588-L591 VanDerWaalsContact O-N 3.13Å; L588-I592 WeakPolarHBondContact O-CG1 3.34Å; L588-I592 PolarHBondContact O-N 3.39Å; L588-L617 HydrophobicContact CD2-CD1 4.11Å; L588-A620 HydrophobicContact CD2-CB 3.62Å; L588-L624 HydrophobicContact CD1-CB 4.35Å; L588-L624 HydrophobicContact CD1-CD2 3.3Å; L588-L624 HydrophobicContact CD1-CG 4.41Å; L588-L624 HydrophobicContact CG-CD2 4.1Å
589	S	90.6	Very high	89.2	Confident	56 Å²	56	58.8 Å²	58.8	39%	0.392	30%	0.301	S	S	.	.	H	α-helix	trans	-60.8	-38.8	177.4	-56.4	0	0	0	0	111.4	R585 E586 I592 E593	R585-S589 WeakPolarHBondContact O-CB 3.39Å; R585-S589 PolarHBondContact O-N 2.84Å; R585-S589 PolarHBondContact O-OG 3.46Å; E586-S589 WeakPolarHBondContact O-CB 3.45Å; E586-S589 PolarHBondContact O-N 2.7Å; S589-I592 PolarHBondContact O-N 3.39Å; S589-E593 WeakPolarHBondContact O-CG 3.33Å; S589-E593 PolarHBondContact O-N 2.94Å
590	V	93.7	Very high	89.6	Confident	94 Å²	94	62.1 Å²	62.1	57%	0.57	32%	0.321	S	S	*	.	H	α-helix	trans	-63.7	-42.2	173.6	172	0	0	0	0	111.9	E586 K587 L588 E593 K594	E586-V590 WeakPolarHBondContact O-CG2 3.45Å; E586-V590 PolarHBondContact O-N 3.35Å; K587-V590 PolarHBondContact O-N 2.88Å; L588-V590 VanDerWaalsContact C-N 3.27Å; L588-V590 PolarHBondContact O-N 2.63Å; V590-E593 PolarHBondContact O-N 3.33Å; V590-K594 WeakPolarHBondContact O-CB 3.5Å; V590-K594 PolarHBondContact O-N 3.46Å
591	L	93.6	Very high	90	Very high	29 Å²	29	66 Å²	66	15%	0.152	34%	0.342	C	S	.	.	H	α-helix	trans	-67.1	-38.1	176.9	-71.2	175	0	0	0	112.3	K587 L588 K594 L595 E616 L617 A620	K587-L591 PolarHBondContact O-N 3.08Å; K587-L591 VanDerWaalsContact O-N 3.15Å; L588-L591 PolarHBondContact O-N 3.44Å; L588-L591 VanDerWaalsContact O-N 3.13Å; L591-K594 HydrophobicContact CD2-CD 4.49Å; L591-K594 PolarHBondContact O-N 2.84Å; L591-L595 WeakPolarHBondContact O-CB 3.34Å; L591-L595 PolarHBondContact O-N 2.94Å; L591-E616 HydrophobicContact CD2-CG 3.89Å; L591-L617 HydrophobicContact CB-CD1 3.82Å; L591-A620 HydrophobicContact CD1-CB 3.55Å
592	I	93.2	Very high	89.8	Confident	4 Å²	4	68 Å²	68	2%	0.021	35%	0.346	C	S	.	.	H	α-helix	trans	-60.4	-49.5	173.7	-73.4	160.2	0	0	0	110.2	V566 T569 E570 I573 L588 S589 K594 L595 R596 L617	V566-I592 HydrophobicContact CG1-CG2 3.89Å; T569-I592 HydrophobicContact CG2-CD1 4.13Å; E570-I592 HydrophobicContact CG-CD1 3.74Å; E570-I592 HydrophobicContact CG-CG2 4.28Å; I573-I592 HydrophobicContact CD1-CD1 3.76Å; L588-I592 WeakPolarHBondContact O-CG1 3.34Å; L588-I592 PolarHBondContact O-N 3.39Å; S589-I592 PolarHBondContact O-N 3.39Å; I592-K594 VanDerWaalsContact C-N 3.34Å; I592-K594 PolarHBondContact O-N 3.27Å; I592-L595 PolarHBondContact O-N 3.46Å; I592-R596 HydrophobicContact CG2-CG 4.43Å; I592-R596 WeakPolarHBondContact O-CB 3.28Å; I592-R596 WeakPolarHBondContact O-CG 3.33Å; I592-R596 PolarHBondContact O-N 2.69Å; I592-L617 HydrophobicContact CG1-CD1 3.83Å; I592-L617 HydrophobicContact CG1-CD2 4.02Å
593	E	93.6	Very high	89.4	Confident	107 Å²	107	72.6 Å²	72.6	50%	0.5	36%	0.362	S	S	.	.	H	α-helix	trans	-64.2	-38.2	178.6	-75.3	-59	129.2	0	0	112.3	S589 V590 R596 S597	S589-E593 WeakPolarHBondContact O-CG 3.33Å; S589-E593 PolarHBondContact O-N 2.94Å; V590-E593 PolarHBondContact O-N 3.33Å; E593-R596 PolarHBondContact O-N 2.96Å; E593-R596 IonicContact OE1-CZ 3.27Å; E593-R596 IonicContact OE1-NH1 2.67Å; E593-R596 PolarHBondContact OE1-NH1 3.36Å; E593-S597 WeakPolarHBondContact O-CB 3.33Å; E593-S597 PolarHBondContact O-N 2.87Å
594	K	92.8	Very high	89.3	Confident	82 Å²	82	72.9 Å²	72.9	36%	0.357	37%	0.371	S	S	.	.	H	α-helix	trans	-59.9	-46.7	172.8	-176.8	-173.5	177.3	-168.2	0	111.3	V590 L591 I592 S597 R598 E616	V590-K594 WeakPolarHBondContact O-CB 3.5Å; V590-K594 PolarHBondContact O-N 3.46Å; L591-K594 HydrophobicContact CD2-CD 4.49Å; L591-K594 PolarHBondContact O-N 2.84Å; I592-K594 VanDerWaalsContact C-N 3.34Å; I592-K594 PolarHBondContact O-N 3.27Å; K594-S597 PolarHBondContact O-N 3.3Å; K594-R598 PolarHBondContact O-N 3.3Å; K594-E616 IonicContact NZ-OE1 3.82Å; K594-E616 PolarHBondContact NZ-OE1 3.48Å; K594-E616 IonicContact NZ-OE2 2.67Å; K594-E616 PolarHBondContact NZ-OE2 3.28Å
595	L	92.1	Very high	89.2	Confident	1 Å²	1	72.2 Å²	72.2	1%	0.005	37%	0.368	C	S	.	.	H	α-helix	trans	-66.7	-44.2	178.7	-176.1	52.7	0	0	0	111.3	A562 V566 L591 I592 S597 R598 L599 A613 L617	A562-L595 HydrophobicContact CB-CD1 4.02Å; A562-L595 HydrophobicContact CB-CD2 4.15Å; A562-L595 HydrophobicContact CB-CG 4.31Å; V566-L595 HydrophobicContact CG2-CB 4.32Å; V566-L595 HydrophobicContact CG2-CD2 3.57Å; V566-L595 HydrophobicContact CG2-CG 3.94Å; L591-L595 WeakPolarHBondContact O-CB 3.34Å; L591-L595 PolarHBondContact O-N 2.94Å; I592-L595 PolarHBondContact O-N 3.46Å; L595-S597 VanDerWaalsContact C-N 3.3Å; L595-S597 PolarHBondContact O-N 3.26Å; L595-R598 WeakPolarHBondContact O-CB 3.41Å; L595-R598 PolarHBondContact O-N 3.43Å; L595-R598 VanDerWaalsContact O-N 3.08Å; L595-L599 HydrophobicContact CD1-CG 4.4Å; L595-L599 HydrophobicContact CG-CD1 4.15Å; L595-L599 HydrophobicContact CG-CG 4.49Å; L595-L599 VanDerWaalsContact O-CG 3.31Å; L595-L599 WeakPolarHBondContact O-CG 3.22Å; L595-L599 PolarHBondContact O-N 3.37Å; L595-A613 HydrophobicContact CD1-CB 3.84Å; L595-L617 HydrophobicContact CD2-CB 4.48Å; L595-L617 HydrophobicContact CD2-CD2 3.72Å
596	R	92.3	Very high	89.3	Confident	85 Å²	85	72.9 Å²	72.9	32%	0.321	38%	0.379	S	S	.	.	H	α-helix	trans	-56.4	-42.4	173.4	-78.5	177.9	166.5	170.2	-1.9	112.8	V566 E570 I592 E593 R598 L599 N600	V566-R596 HydrophobicContact CG1-CG 4.42Å; E570-R596 IonicContact OE1-CZ 2.85Å; E570-R596 IonicContact OE1-NH1 3.15Å; E570-R596 PolarHBondContact OE1-NH1 2.89Å; E570-R596 IonicContact OE1-NH2 3.4Å; E570-R596 PolarHBondContact OE1-NH2 3.38Å; E570-R596 IonicContact OE2-CZ 3.51Å; E570-R596 IonicContact OE2-NH2 3.3Å; E570-R596 PolarHBondContact OE2-NH2 3.5Å; I592-R596 HydrophobicContact CG2-CG 4.43Å; I592-R596 WeakPolarHBondContact O-CB 3.28Å; I592-R596 WeakPolarHBondContact O-CG 3.33Å; I592-R596 PolarHBondContact O-N 2.69Å; E593-R596 PolarHBondContact O-N 2.96Å; E593-R596 IonicContact OE1-CZ 3.27Å; E593-R596 IonicContact OE1-NH1 2.67Å; E593-R596 PolarHBondContact OE1-NH1 3.36Å; R596-R598 VanDerWaalsContact C-N 3.31Å; R596-R598 PolarHBondContact O-N 2.93Å; R596-L599 PolarHBondContact O-N 3.12Å; R596-N600 WeakPolarHBondContact O-CB 3.26Å; R596-N600 VanDerWaalsContact O-CG 3.27Å; R596-N600 PolarHBondContact O-N 2.79Å; R596-N600 PolarHBondContact O-ND2 3.31Å
597	S	92.5	Very high	89.2	Confident	65 Å²	65	66.7 Å²	66.7	46%	0.455	35%	0.351	S	S	.	.	H	α-helix	trans	-60.6	-40.1	176.2	-174.8	0	0	0	0	112.1	E593 K594 L595 N601	E593-S597 WeakPolarHBondContact O-CB 3.33Å; E593-S597 PolarHBondContact O-N 2.87Å; K594-S597 PolarHBondContact O-N 3.3Å; L595-S597 VanDerWaalsContact C-N 3.3Å; L595-S597 PolarHBondContact O-N 3.26Å; S597-N601 PolarHBondContact O-N 2.97Å; S597-N601 PolarHBondContact O-ND2 3.1Å
598	R	91	Very high	89.3	Confident	58 Å²	58	66.4 Å²	66.4	22%	0.219	35%	0.352	C	S	.	.	H	α-helix	trans	-66.4	-43.4	173.3	-66.4	-168.6	176.5	-168.8	-5.5	112.1	K594 L595 R596 N600 N601 K602 E605 S609	K594-R598 PolarHBondContact O-N 3.3Å; L595-R598 WeakPolarHBondContact O-CB 3.41Å; L595-R598 PolarHBondContact O-N 3.43Å; L595-R598 VanDerWaalsContact O-N 3.08Å; R596-R598 VanDerWaalsContact C-N 3.31Å; R596-R598 PolarHBondContact O-N 2.93Å; R598-N600 VanDerWaalsContact C-N 3.31Å; R598-N600 PolarHBondContact O-N 3.44Å; R598-N601 CarbonylContact O-C 3.18Å; R598-N601 WeakPolarHBondContact O-CA 3.35Å; R598-N601 PolarHBondContact O-N 3.47Å; R598-K602 PolarHBondContact O-N 2.95Å; R598-E605 HydrophobicContact CB-CG 4.26Å; R598-E605 WeakPolarHBondContact CG-OE1 3.38Å; R598-S609 PolarHBondContact NH1-O 2.88Å; R598-S609 PolarHBondContact NH1-OG 3.13Å
599	L	89.9	Confident	89.3	Confident	13 Å²	13	67.1 Å²	67.1	7%	0.068	36%	0.357	C	S	.	.	H	α-helix	trans	-63.2	-37.4	178.7	-64	169.8	0	0	0	112.2	V559 A562 E563 L595 R596 N601 K602 I610	V559-L599 HydrophobicContact CB-CD2 4.17Å; V559-L599 HydrophobicContact CG1-CD2 3.95Å; V559-L599 HydrophobicContact CG2-CD2 4.13Å; A562-L599 HydrophobicContact CB-CD1 4.11Å; A562-L599 HydrophobicContact CB-CD2 3.65Å; A562-L599 HydrophobicContact CB-CG 4.36Å; E563-L599 HydrophobicContact CG-CD1 3.88Å; L595-L599 HydrophobicContact CD1-CG 4.4Å; L595-L599 HydrophobicContact CG-CD1 4.15Å; L595-L599 HydrophobicContact CG-CG 4.49Å; L595-L599 VanDerWaalsContact O-CG 3.31Å; L595-L599 WeakPolarHBondContact O-CG 3.22Å; L595-L599 PolarHBondContact O-N 3.37Å; R596-L599 PolarHBondContact O-N 3.12Å; L599-N601 PolarHBondContact O-N 3.34Å; L599-K602 WeakPolarHBondContact O-CB 3.35Å; L599-K602 PolarHBondContact O-N 3.38Å; L599-I610 HydrophobicContact CD2-CG2 4.2Å
600	N	89.2	Confident	89.4	Confident	136 Å²	136	64.4 Å²	64.4	73%	0.727	34%	0.338	S	S	*	.	H	α-helix	trans	-67.1	-25.6	173.7	-72	-23.4	0	0	0	112.8	R596 R598	R596-N600 WeakPolarHBondContact O-CB 3.26Å; R596-N600 VanDerWaalsContact O-CG 3.27Å; R596-N600 PolarHBondContact O-N 2.79Å; R596-N600 PolarHBondContact O-ND2 3.31Å; R598-N600 VanDerWaalsContact C-N 3.31Å; R598-N600 PolarHBondContact O-N 3.44Å
601	N	88.1	Confident	89.3	Confident	88 Å²	88	63.6 Å²	63.6	47%	0.471	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108	26	177.8	-65	-54.2	0	0	0	112.5	S597 R598 L599 D603 S604	S597-N601 PolarHBondContact O-N 2.97Å; S597-N601 PolarHBondContact O-ND2 3.1Å; R598-N601 CarbonylContact O-C 3.18Å; R598-N601 WeakPolarHBondContact O-CA 3.35Å; R598-N601 PolarHBondContact O-N 3.47Å; L599-N601 PolarHBondContact O-N 3.34Å; N601-D603 PolarHBondContact O-N 3.24Å; N601-S604 PolarHBondContact O-N 3.42Å; N601-S604 PolarHBondContact O-OG 2.96Å
602	K	81.9	Confident	89.3	Confident	90 Å²	90	68.5 Å²	68.5	39%	0.391	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-52.8	-30.5	-173	62.6	-172.3	178	-170.7	0	114.6	V559 R598 L599 S604 E605	V559-K602 HydrophobicContact CG1-CD 4.45Å; V559-K602 HydrophobicContact CG2-CB 4.06Å; V559-K602 HydrophobicContact CG2-CD 4.32Å; R598-K602 PolarHBondContact O-N 2.95Å; L599-K602 WeakPolarHBondContact O-CB 3.35Å; L599-K602 PolarHBondContact O-N 3.38Å; K602-S604 PolarHBondContact O-N 2.9Å; K602-E605 PolarHBondContact O-N 2.95Å; K602-E605 VanDerWaalsContact O-N 3.14Å
603	D	76.9	Confident	89.2	Confident	155 Å²	155	68.4 Å²	68.4	83%	0.829	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-68.3	-16.7	179.6	-58.2	-30.7	0	0	0	113.1	N601	N601-D603 PolarHBondContact O-N 3.24Å
604	S	82.9	Confident	89.2	Confident	95 Å²	95	63.4 Å²	63.4	66%	0.664	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-105.2	-0.6	175.8	66.4	0	0	0	0	113.8	N601 K602	N601-S604 PolarHBondContact O-N 3.42Å; N601-S604 PolarHBondContact O-OG 2.96Å; K602-S604 PolarHBondContact O-N 2.9Å
605	E	84.8	Confident	89.2	Confident	48 Å²	48	63.5 Å²	63.5	22%	0.224	33%	0.328	C	S	.	.			trans	-104.1	157.9	-176.1	-70.1	-72.2	179.4	0	0	111.7	R598 K602 S609 I610	R598-E605 HydrophobicContact CB-CG 4.26Å; R598-E605 WeakPolarHBondContact CG-OE1 3.38Å; K602-E605 PolarHBondContact O-N 2.95Å; K602-E605 VanDerWaalsContact O-N 3.14Å; E605-S609 WeakPolarHBondContact OE2-CB 3.24Å; E605-S609 PolarHBondContact OE2-OG 3.28Å; E605-I610 HydrophobicContact CB-CD1 4.16Å; E605-I610 HydrophobicContact CB-CG1 4.07Å
606	T	87.5	Confident	89.3	Confident	76 Å²	76	67.7 Å²	67.7	47%	0.466	35%	0.347	S	S	.	.			trans	-98.2	157	170	66.7	0	0	0	0	110.9	E608 S609 I610	T606-E608 PolarHBondContact O-N 3.44Å; T606-S609 PolarHBondContact O-N 3.22Å; T606-S609 VanDerWaalsContact O-N 3.15Å; T606-S609 WeakPolarHBondContact OG1-CB 3.02Å; T606-S609 PolarHBondContact OG1-N 3.45Å; T606-S609 VanDerWaalsContact OG1-N 3.1Å; T606-I610 PolarHBondContact O-N 2.93Å; T606-I610 VanDerWaalsContact O-N 3.12Å
607	A	87.4	Confident	89.3	Confident	7 Å²	7	63.7 Å²	63.7	6%	0.058	33%	0.332	C	S	.	.	H	α-helix	trans	-56.6	-37.2	174.4	0	0	0	0	0	111.3	D554 L555 S558 R611	D554-A607 HydrophobicContact CB-CB 4.18Å; L555-A607 HydrophobicContact CB-CB 4.48Å; S558-A607 PolarHBondContact OG-O 3.4Å; A607-R611 VanDerWaalsContact O-CG 3.26Å; A607-R611 WeakPolarHBondContact O-CG 3.4Å; A607-R611 PolarHBondContact O-N 2.93Å
608	E	90.9	Very high	89.2	Confident	103 Å²	103	63.6 Å²	63.6	48%	0.481	33%	0.325	S	S	.	.	H	α-helix	trans	-64.2	-46.8	176.1	-65.8	67.3	-143.3	0	0	111.9	T606 I610 R611 E612	T606-E608 PolarHBondContact O-N 3.44Å; E608-I610 VanDerWaalsContact C-N 3.31Å; E608-I610 PolarHBondContact O-N 3.38Å; E608-R611 PolarHBondContact O-N 2.99Å; E608-R611 IonicContact OE1-NH1 3Å; E608-R611 PolarHBondContact OE1-NH1 3.32Å; E608-E612 WeakPolarHBondContact O-CG 3.39Å; E608-E612 PolarHBondContact O-N 2.71Å
609	S	91.5	Very high	89.2	Confident	17 Å²	17	66.2 Å²	66.2	12%	0.119	34%	0.339	C	S	.	.	H	α-helix	trans	-59.6	-41.6	178.7	177	0	0	0	0	112	R598 E605 T606 A613	R598-S609 PolarHBondContact NH1-O 2.88Å; R598-S609 PolarHBondContact NH1-OG 3.13Å; E605-S609 WeakPolarHBondContact OE2-CB 3.24Å; E605-S609 PolarHBondContact OE2-OG 3.28Å; T606-S609 PolarHBondContact O-N 3.22Å; T606-S609 VanDerWaalsContact O-N 3.15Å; T606-S609 WeakPolarHBondContact OG1-CB 3.02Å; T606-S609 PolarHBondContact OG1-N 3.45Å; T606-S609 VanDerWaalsContact OG1-N 3.1Å; S609-A613 PolarHBondContact O-N 3.4Å
610	I	91.4	Very high	89.2	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-67.6	-43.4	177	-63.1	-178.2	0	0	0	110.7	L555 S558 V559 A562 L599 E605 T606 E608 E612 A613 T614	L555-I610 HydrophobicContact CD1-CD1 3.65Å; S558-I610 WeakPolarHBondContact O-CG2 3.49Å; V559-I610 HydrophobicContact CG2-CD1 3.51Å; A562-I610 HydrophobicContact CB-CG2 3.78Å; L599-I610 HydrophobicContact CD2-CG2 4.2Å; E605-I610 HydrophobicContact CB-CD1 4.16Å; E605-I610 HydrophobicContact CB-CG1 4.07Å; T606-I610 PolarHBondContact O-N 2.93Å; T606-I610 VanDerWaalsContact O-N 3.12Å; E608-I610 VanDerWaalsContact C-N 3.31Å; E608-I610 PolarHBondContact O-N 3.38Å; I610-E612 PolarHBondContact O-N 3.22Å; I610-A613 PolarHBondContact O-N 3.38Å; I610-T614 WeakPolarHBondContact O-CB 3.4Å; I610-T614 PolarHBondContact O-N 3.48Å; I610-T614 PolarHBondContact O-OG1 3.11Å
611	R	92	Very high	89.1	Confident	76 Å²	76	61 Å²	61	29%	0.287	32%	0.317	S	S	.	.	H	α-helix	trans	-61.9	-40.8	176.8	-74	173.6	-164.7	133.2	1.4	112.4	D554 S558 A607 E608 T614 N615	D554-R611 PolarHBondContact O-NH2 3.4Å; S558-R611 WeakPolarHBondContact OG-CG 3.36Å; S558-R611 PolarHBondContact OG-NE 3.24Å; S558-R611 PolarHBondContact OG-NH2 3.49Å; A607-R611 VanDerWaalsContact O-CG 3.26Å; A607-R611 WeakPolarHBondContact O-CG 3.4Å; A607-R611 PolarHBondContact O-N 2.93Å; E608-R611 PolarHBondContact O-N 2.99Å; E608-R611 IonicContact OE1-NH1 3Å; E608-R611 PolarHBondContact OE1-NH1 3.32Å; R611-T614 PolarHBondContact O-N 2.96Å; R611-N615 WeakPolarHBondContact O-CB 3.38Å; R611-N615 VanDerWaalsContact O-CG 3.23Å; R611-N615 PolarHBondContact O-N 3.1Å; R611-N615 PolarHBondContact O-ND2 2.88Å
612	E	93.4	Very high	89.1	Confident	132 Å²	132	61.4 Å²	61.4	62%	0.617	32%	0.318	S	S	*	.	H	α-helix	trans	-60.7	-49.6	177	-76.5	177	180	0	0	111.6	E608 I610 T614 N615 E616	E608-E612 WeakPolarHBondContact O-CG 3.39Å; E608-E612 PolarHBondContact O-N 2.71Å; I610-E612 PolarHBondContact O-N 3.22Å; E612-T614 VanDerWaalsContact C-N 3.33Å; E612-T614 PolarHBondContact O-N 3.13Å; E612-N615 PolarHBondContact O-N 3.48Å; E612-E616 WeakPolarHBondContact O-CB 3.46Å; E612-E616 PolarHBondContact O-N 2.96Å
613	A	92.2	Very high	89.1	Confident	3 Å²	3	64 Å²	64	3%	0.025	33%	0.33	C	S	.	.	H	α-helix	trans	-65.6	-36	177.1	0	0	0	0	0	112.5	L595 S609 I610 E616 L617	L595-A613 HydrophobicContact CD1-CB 3.84Å; S609-A613 PolarHBondContact O-N 3.4Å; I610-A613 PolarHBondContact O-N 3.38Å; A613-E616 PolarHBondContact O-N 3.23Å; A613-L617 PolarHBondContact O-N 3.34Å; A613-L617 VanDerWaalsContact O-N 3.08Å
614	T	92.2	Very high	89.3	Confident	2 Å²	2	57 Å²	57	1%	0.012	29%	0.293	C	S	.	.	H	α-helix	trans	-63.8	-45.4	174.9	-56.8	0	0	0	0	111.2	A562 I565 I610 R611 E612 E616 L617 Q618	A562-T614 HydrophobicContact CB-CG2 4.47Å; A562-T614 VanDerWaalsContact CB-OG1 3.27Å; A562-T614 WeakPolarHBondContact CB-OG1 3.26Å; I565-T614 HydrophobicContact CB-CG2 4.15Å; I565-T614 HydrophobicContact CG1-CG2 3.91Å; I565-T614 HydrophobicContact CG2-CG2 4.33Å; I610-T614 WeakPolarHBondContact O-CB 3.4Å; I610-T614 PolarHBondContact O-N 3.48Å; I610-T614 PolarHBondContact O-OG1 3.11Å; R611-T614 PolarHBondContact O-N 2.96Å; E612-T614 VanDerWaalsContact C-N 3.33Å; E612-T614 PolarHBondContact O-N 3.13Å; T614-E616 PolarHBondContact O-N 3.13Å; T614-L617 PolarHBondContact O-N 3.04Å; T614-Q618 WeakPolarHBondContact O-CB 3.33Å; T614-Q618 PolarHBondContact O-N 3.03Å
615	N	93.6	Very high	89.2	Confident	84 Å²	84	53.8 Å²	53.8	45%	0.449	27%	0.267	S	S	.	.	H	α-helix	trans	-64	-39.5	176.2	-75.7	-27.6	0	0	0	111.8	R611 E612 Q618 Q619	R611-N615 WeakPolarHBondContact O-CB 3.38Å; R611-N615 VanDerWaalsContact O-CG 3.23Å; R611-N615 PolarHBondContact O-N 3.1Å; R611-N615 PolarHBondContact O-ND2 2.88Å; E612-N615 PolarHBondContact O-N 3.48Å; N615-Q618 PolarHBondContact O-N 3.45Å; N615-Q619 WeakPolarHBondContact O-CB 3.2Å; N615-Q619 VanDerWaalsContact O-CG 3.22Å; N615-Q619 WeakPolarHBondContact O-CG 3.34Å; N615-Q619 PolarHBondContact O-N 3.34Å
616	E	93.4	Very high	89	Confident	88 Å²	88	56.4 Å²	56.4	41%	0.411	28%	0.279	S	S	.	.	H	α-helix	trans	-58.5	-49.2	175.6	-172.2	-178.9	-170	0	0	111.1	L591 K594 E612 A613 T614 A620	L591-E616 HydrophobicContact CD2-CG 3.89Å; K594-E616 IonicContact NZ-OE1 3.82Å; K594-E616 PolarHBondContact NZ-OE1 3.48Å; K594-E616 IonicContact NZ-OE2 2.67Å; K594-E616 PolarHBondContact NZ-OE2 3.28Å; E612-E616 WeakPolarHBondContact O-CB 3.46Å; E612-E616 PolarHBondContact O-N 2.96Å; A613-E616 PolarHBondContact O-N 3.23Å; T614-E616 PolarHBondContact O-N 3.13Å; E616-A620 WeakPolarHBondContact O-CB 3.3Å; E616-A620 PolarHBondContact O-N 3.09Å; E616-A620 VanDerWaalsContact O-N 3.1Å
617	L	92.6	Very high	88.4	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-61.8	-46.9	175.5	177.2	60.4	0	0	0	111.7	I565 V566 T569 L588 L591 I592 L595 A613 T614 Q619 A620 S621	I565-L617 HydrophobicContact CG2-CD2 3.99Å; I565-L617 HydrophobicContact CG2-CG 4.25Å; V566-L617 HydrophobicContact CG2-CD2 4.05Å; T569-L617 HydrophobicContact CG2-CD1 4.1Å; L588-L617 HydrophobicContact CD2-CD1 4.11Å; L591-L617 HydrophobicContact CB-CD1 3.82Å; I592-L617 HydrophobicContact CG1-CD1 3.83Å; I592-L617 HydrophobicContact CG1-CD2 4.02Å; L595-L617 HydrophobicContact CD2-CB 4.48Å; L595-L617 HydrophobicContact CD2-CD2 3.72Å; A613-L617 PolarHBondContact O-N 3.34Å; A613-L617 VanDerWaalsContact O-N 3.08Å; T614-L617 PolarHBondContact O-N 3.04Å; L617-Q619 PolarHBondContact O-N 2.67Å; L617-A620 PolarHBondContact O-N 3.29Å; L617-S621 WeakPolarHBondContact O-CB 3.41Å; L617-S621 PolarHBondContact O-N 3.41Å; L617-S621 PolarHBondContact O-OG 3.24Å
618	Q	90.9	Very high	87.7	Confident	63 Å²	63	56.3 Å²	56.3	29%	0.294	28%	0.278	S	S	.	.	H	α-helix	trans	-62.9	-44.3	-177.7	-166.9	174.2	2.8	0	0	111.7	I565 T614 N615 S621 L622	I565-Q618 HydrophobicContact CD1-CG 4.47Å; I565-Q618 HydrophobicContact CG2-CB 4.45Å; T614-Q618 WeakPolarHBondContact O-CB 3.33Å; T614-Q618 PolarHBondContact O-N 3.03Å; N615-Q618 PolarHBondContact O-N 3.45Å; Q618-S621 PolarHBondContact O-N 3.5Å; Q618-S621 PolarHBondContact O-OG 3.09Å; Q618-L622 HydrophobicContact CG-CD1 4.32Å; Q618-L622 WeakPolarHBondContact O-CG 3.38Å; Q618-L622 PolarHBondContact O-N 2.94Å
619	Q	90.9	Very high	86.8	Confident	113 Å²	113	58.9 Å²	58.9	53%	0.528	28%	0.284	S	S	.	.	H	α-helix	trans	-63.8	-41	176.9	-73.3	-65.6	-29.5	0	0	112.6	N615 L617 K623	N615-Q619 WeakPolarHBondContact O-CB 3.2Å; N615-Q619 VanDerWaalsContact O-CG 3.22Å; N615-Q619 WeakPolarHBondContact O-CG 3.34Å; N615-Q619 PolarHBondContact O-N 3.34Å; L617-Q619 PolarHBondContact O-N 2.67Å; Q619-K623 PolarHBondContact O-N 3.49Å
620	A	89.2	Confident	86.1	Confident	32 Å²	32	66.3 Å²	66.3	26%	0.264	31%	0.309	S	S	.	.	H	α-helix	trans	-64.6	-43.4	175.1	0	0	0	0	0	111.4	L588 L591 E616 L617 L624	L588-A620 HydrophobicContact CD2-CB 3.62Å; L591-A620 HydrophobicContact CD1-CB 3.55Å; E616-A620 WeakPolarHBondContact O-CB 3.3Å; E616-A620 PolarHBondContact O-N 3.09Å; E616-A620 VanDerWaalsContact O-N 3.1Å; L617-A620 PolarHBondContact O-N 3.29Å; A620-L624 PolarHBondContact O-N 3.08Å
621	S	88.1	Confident	85.1	Confident	9 Å²	9	72 Å²	72	6%	0.063	33%	0.334	C	S	.	.	H	α-helix	trans	-65.1	-43.1	-178.7	77.7	0	0	0	0	112.5	L617 Q618 K623 L624 F625	L617-S621 WeakPolarHBondContact O-CB 3.41Å; L617-S621 PolarHBondContact O-N 3.41Å; L617-S621 PolarHBondContact O-OG 3.24Å; Q618-S621 PolarHBondContact O-N 3.5Å; Q618-S621 PolarHBondContact O-OG 3.09Å; S621-K623 PolarHBondContact O-N 3.46Å; S621-L624 PolarHBondContact O-N 3.06Å; S621-F625 WeakPolarHBondContact O-CD2 3.49Å; S621-F625 WeakPolarHBondContact O-CG 3.4Å; S621-F625 PolarHBondContact O-N 3.17Å
622	L	86.9	Confident	83.8	Confident	95 Å²	95	71.4 Å²	71.4	50%	0.497	34%	0.335	S	S	.	.	H	α-helix	trans	-61.3	-46.7	179.8	-78.1	168.9	0	0	0	111.8	Q618 L624 F625 E626	Q618-L622 HydrophobicContact CG-CD1 4.32Å; Q618-L622 WeakPolarHBondContact O-CG 3.38Å; Q618-L622 PolarHBondContact O-N 2.94Å; L622-L624 VanDerWaalsContact C-N 3.28Å; L622-L624 PolarHBondContact O-N 3.44Å; L622-F625 PolarHBondContact O-N 3.09Å; L622-E626 VanDerWaalsContact O-CB 3.3Å; L622-E626 WeakPolarHBondContact O-CB 3.5Å; L622-E626 PolarHBondContact O-N 3Å
623	K	82.3	Confident	82.5	Confident	144 Å²	144	68 Å²	68	63%	0.626	33%	0.33	S	S	*	.	H	α-helix	trans	-58.4	-42.9	177	-75.6	178.4	179.9	176.5	0	111.6	Q619 S621 V627	Q619-K623 PolarHBondContact O-N 3.49Å; S621-K623 PolarHBondContact O-N 3.46Å; K623-V627 WeakPolarHBondContact O-CG2 3.48Å; K623-V627 PolarHBondContact O-N 3.41Å
624	L	80.9	Confident	81	Confident	10 Å²	10	70 Å²	70	5%	0.052	35%	0.351	C	S	.	.	H	α-helix	trans	-69.7	-47	-177	-174.4	60.4	0	0	0	112.1	L580 E584 L588 A620 S621 L622 E626 V627 A628	L580-L624 HydrophobicContact CD1-CD2 4.13Å; L580-L624 HydrophobicContact CD2-CD1 3.74Å; L580-L624 HydrophobicContact CD2-CD2 3.82Å; L580-L624 HydrophobicContact CD2-CG 3.48Å; L580-L624 VanDerWaalsContact CD2-CG 3.48Å; L580-L624 HydrophobicContact CG-CD2 4.47Å; E584-L624 HydrophobicContact CB-CD1 3.45Å; E584-L624 VanDerWaalsContact CB-CD1 3.45Å; E584-L624 HydrophobicContact CB-CD2 4Å; E584-L624 HydrophobicContact CB-CG 4.35Å; E584-L624 HydrophobicContact CG-CD1 3.86Å; L588-L624 HydrophobicContact CD1-CB 4.35Å; L588-L624 HydrophobicContact CD1-CD2 3.3Å; L588-L624 HydrophobicContact CD1-CG 4.41Å; L588-L624 HydrophobicContact CG-CD2 4.1Å; A620-L624 PolarHBondContact O-N 3.08Å; S621-L624 PolarHBondContact O-N 3.06Å; L622-L624 VanDerWaalsContact C-N 3.28Å; L622-L624 PolarHBondContact O-N 3.44Å; L624-E626 PolarHBondContact O-N 3.3Å; L624-V627 PolarHBondContact O-N 2.78Å; L624-A628 PolarHBondContact O-N 3.37Å; L624-A628 VanDerWaalsContact O-N 3.09Å
625	F	81.9	Confident	79.3	Confident	27 Å²	27	76.2 Å²	76.2	12%	0.118	38%	0.379	C	S	.	.	H	α-helix	trans	-70.5	-30.7	-179.1	-61.4	-47.5	0	0	0	112.6	T569 K572 I573 Y576 L580 S621 L622 V627 A628 Y629	T569-F625 HydrophobicContact CG2-CE2 4.41Å; T569-F625 HydrophobicContact CG2-CZ 4.43Å; K572-F625 HydrophobicContact CB-CD1 4.25Å; K572-F625 HydrophobicContact CB-CD2 4.4Å; K572-F625 HydrophobicContact CB-CE1 3.51Å; K572-F625 HydrophobicContact CB-CE2 3.67Å; K572-F625 HydrophobicContact CB-CZ 3.19Å; K572-F625 HydrophobicContact CD-CD2 3.86Å; K572-F625 HydrophobicContact CD-CE2 3.62Å; K572-F625 HydrophobicContact CD-CG 4.47Å; K572-F625 HydrophobicContact CD-CZ 4.07Å; K572-F625 HydrophobicContact CG-CE2 4.32Å; K572-F625 HydrophobicContact CG-CZ 4.27Å; I573-F625 HydrophobicContact CG1-CZ 4.23Å; Y576-F625 HydrophobicContact CD2-CD1 4.1Å; Y576-F625 HydrophobicContact CD2-CE1 4.28Å; L580-F625 HydrophobicContact CD1-CE1 4.03Å; S621-F625 WeakPolarHBondContact O-CD2 3.49Å; S621-F625 WeakPolarHBondContact O-CG 3.4Å; S621-F625 PolarHBondContact O-N 3.17Å; L622-F625 PolarHBondContact O-N 3.09Å; F625-V627 VanDerWaalsContact C-N 3.33Å; F625-V627 PolarHBondContact O-N 3.15Å; F625-A628 PolarHBondContact O-N 2.97Å; F625-Y629 WeakPolarHBondContact O-CB 3.48Å; F625-Y629 PolarHBondContact O-N 3.45Å
626	E	79.8	Confident	77.1	Confident	102 Å²	102	79.9 Å²	79.9	48%	0.477	39%	0.394	S	S	.	.	H	α-helix	trans	-61.5	-42	172	-171.7	-178.3	177.7	0	0	111.5	L622 L624 Y629 R630	L622-E626 VanDerWaalsContact O-CB 3.3Å; L622-E626 WeakPolarHBondContact O-CB 3.5Å; L622-E626 PolarHBondContact O-N 3Å; L624-E626 PolarHBondContact O-N 3.3Å; E626-Y629 PolarHBondContact O-N 3.4Å; E626-R630 WeakPolarHBondContact O-CG 3.4Å; E626-R630 PolarHBondContact O-N 3.41Å; E626-R630 IonicContact OE1-CZ 3.49Å; E626-R630 IonicContact OE1-NE 2.75Å; E626-R630 PolarHBondContact OE1-NE 3.29Å; E626-R630 IonicContact OE1-NH2 3.46Å; E626-R630 PolarHBondContact OE1-NH2 3.46Å
627	V	75.2	Confident	75	Confident	79 Å²	79	78.3 Å²	78.3	48%	0.479	40%	0.401	S	S	.	.	H	α-helix	trans	-65.8	-42.2	176.5	173.2	0	0	0	0	111.3	K623 L624 F625 R630 K631	K623-V627 WeakPolarHBondContact O-CG2 3.48Å; K623-V627 PolarHBondContact O-N 3.41Å; L624-V627 PolarHBondContact O-N 2.78Å; F625-V627 VanDerWaalsContact C-N 3.33Å; F625-V627 PolarHBondContact O-N 3.15Å; V627-R630 PolarHBondContact O-N 2.97Å; V627-K631 PolarHBondContact O-N 3.42Å; V627-K631 VanDerWaalsContact O-N 3.09Å
628	A	72.3	Confident	72.7	Confident	3 Å²	3	83.5 Å²	83.5	3%	0.025	43%	0.433	C	S	.	.	H	α-helix	trans	-60.7	-45.6	176.3	0	0	0	0	0	111.7	L580 L624 F625 K631 M632	L580-A628 HydrophobicContact CD2-CB 3.77Å; L624-A628 PolarHBondContact O-N 3.37Å; L624-A628 VanDerWaalsContact O-N 3.09Å; F625-A628 PolarHBondContact O-N 2.97Å; A628-K631 PolarHBondContact O-N 3.43Å; A628-M632 WeakPolarHBondContact O-CG 3.09Å; A628-M632 PolarHBondContact O-N 3.37Å; A628-M632 VanDerWaalsContact O-N 3.08Å
629	Y	73.1	Confident	70.4	Confident	157 Å²	157	89 Å²	89	62%	0.616	46%	0.456	S	S	*	.	H	α-helix	trans	-64.3	-43.1	180	-157.4	-88.8	0	0	0	112.1	F625 E626 K631 M632 A633	F625-Y629 WeakPolarHBondContact O-CB 3.48Å; F625-Y629 PolarHBondContact O-N 3.45Å; E626-Y629 PolarHBondContact O-N 3.4Å; Y629-K631 VanDerWaalsContact C-N 3.31Å; Y629-K631 PolarHBondContact O-N 3.12Å; Y629-M632 PolarHBondContact O-N 3.08Å; Y629-A633 PolarHBondContact O-N 3.18Å
630	R	75.2	Confident	68.1	Low	173 Å²	173	88.9 Å²	88.9	65%	0.653	46%	0.463	S	S	*	.	H	α-helix	trans	-61.8	-37.1	175.3	-74	-179.5	-174	-166.8	3.4	112.5	E626 V627 G634	E626-R630 WeakPolarHBondContact O-CG 3.4Å; E626-R630 PolarHBondContact O-N 3.41Å; E626-R630 IonicContact OE1-CZ 3.49Å; E626-R630 IonicContact OE1-NE 2.75Å; E626-R630 PolarHBondContact OE1-NE 3.29Å; E626-R630 IonicContact OE1-NH2 3.46Å; E626-R630 PolarHBondContact OE1-NH2 3.46Å; V627-R630 PolarHBondContact O-N 2.97Å; R630-G634 PolarHBondContact O-N 3.09Å; R630-G634 VanDerWaalsContact O-N 3.09Å
631	K	70.2	Confident	65.9	Low	119 Å²	119	94.9 Å²	94.9	52%	0.517	49%	0.491	S	S	.	.	H	α-helix	trans	-64.8	-45.5	174.7	-88.3	-172.9	173.3	-175.7	0	112.2	V627 A628 Y629 A633 G634 E635	V627-K631 PolarHBondContact O-N 3.42Å; V627-K631 VanDerWaalsContact O-N 3.09Å; A628-K631 PolarHBondContact O-N 3.43Å; Y629-K631 VanDerWaalsContact C-N 3.31Å; Y629-K631 PolarHBondContact O-N 3.12Å; K631-A633 VanDerWaalsContact C-N 3.34Å; K631-A633 PolarHBondContact O-N 3.4Å; K631-G634 PolarHBondContact O-N 3.08Å; K631-G634 VanDerWaalsContact O-N 3.17Å; K631-E635 PolarHBondContact O-N 2.76Å
632	M	66.3	Low	63.8	Low	64 Å²	64	99.2 Å²	99.2	32%	0.315	52%	0.521	S	S	.	.	H	α-helix	trans	-64.5	-38.1	178	-63.1	-157.7	-37.5	0	0	112.6	Y576 Q579 A628 Y629 G634 E635 Q636	Y576-M632 HydrophobicContact CD1-SD 4.44Å; Y576-M632 HydrophobicContact CE1-CE 4.14Å; Y576-M632 HydrophobicContact CE1-SD 4.31Å; Q579-M632 HydrophobicContact CG-CG 4.28Å; Q579-M632 HydrophobicContact CG-SD 4.27Å; A628-M632 WeakPolarHBondContact O-CG 3.09Å; A628-M632 PolarHBondContact O-N 3.37Å; A628-M632 VanDerWaalsContact O-N 3.08Å; Y629-M632 PolarHBondContact O-N 3.08Å; M632-G634 VanDerWaalsContact C-N 3.29Å; M632-G634 PolarHBondContact O-N 3.41Å; M632-E635 PolarHBondContact O-N 2.64Å; M632-Q636 PolarHBondContact O-N 3.44Å
633	A	65.9	Low	61.6	Low	61 Å²	61	103 Å²	103	50%	0.504	54%	0.536	S	S	.	.	H	α-helix	trans	-65.9	-31.2	175.2	0	0	0	0	0	112.6	Y629 K631	Y629-A633 PolarHBondContact O-N 3.18Å; K631-A633 VanDerWaalsContact C-N 3.34Å; K631-A633 PolarHBondContact O-N 3.4Å
634	G	60.6	Low	59.7	Low	44 Å²	44	101.4 Å²	101.4	45%	0.454	54%	0.543	S	S	.	.	H	α-helix	trans	-75	-34.2	175.4	0	0	0	0	0	114.3	R630 K631 M632 G637 T638	R630-G634 PolarHBondContact O-N 3.09Å; R630-G634 VanDerWaalsContact O-N 3.09Å; K631-G634 PolarHBondContact O-N 3.08Å; K631-G634 VanDerWaalsContact O-N 3.17Å; M632-G634 VanDerWaalsContact C-N 3.29Å; M632-G634 PolarHBondContact O-N 3.41Å; G634-G637 PolarHBondContact O-N 3.29Å; G634-T638 PolarHBondContact O-OG1 3.4Å
635	E	55.3	Low	57.9	Low	132 Å²	132	108.6 Å²	108.6	62%	0.617	58%	0.582	S	S	*	*	H	α-helix	trans	-76.9	-23.7	180	-74.7	179.9	175.8	0	0	113.6	K631 M632	K631-E635 PolarHBondContact O-N 2.76Å; M632-E635 PolarHBondContact O-N 2.64Å
636	Q	49.1	Very low	56.1	Low	162 Å²	162	116.5 Å²	116.5	76%	0.757	62%	0.619	S	S	*	*	H	α-helix	trans	-76.6	-23.5	170.6	-81	-175.4	-14.8	0	0	113.2	M632	M632-Q636 PolarHBondContact O-N 3.44Å
637	G	48.3	Very low	54.3	Low	55 Å²	55	117.4 Å²	117.4	57%	0.567	64%	0.637	S	S	*	*	S	Bend	trans	-80.2	-12.9	178.9	0	0	0	0	0	115.1	G634	G634-G637 PolarHBondContact O-N 3.29Å
638	T	44.2	Very low	52.7	Low	110 Å²	110	117.9 Å²	117.9	68%	0.675	65%	0.649	S	S	*	*	S	Bend	trans	-106.6	0.2	-172.9	20.8	0	0	0	0	114.7	G634	G634-T638 PolarHBondContact O-OG1 3.4Å
639	K	43.4	Very low	51.5	Low	177 Å²	177	126.7 Å²	126.7	77%	0.77	69%	0.687	S	S	*	*	S	Bend	trans	-100	2.4	177.9	-82.2	-177.1	176.7	174.3	0	114.9
640	T	42.2	Very low	50	Low	112 Å²	112	127.8 Å²	127.8	69%	0.687	70%	0.698	S	S	*	*	S	Bend	trans	-101.9	-8.2	-172.1	-24.2	0	0	0	0	114.5
641	D	43.5	Very low	48.2	Very low	158 Å²	158	128.6 Å²	128.6	85%	0.845	71%	0.709	S	S	*	*	S	Bend	trans	-104.8	14.4	-173.1	-92.1	-10.6	0	0	0	115.3
642	S	42.8	Very low	46.8	Very low	100 Å²	100	132.7 Å²	132.7	70%	0.699	73%	0.727	S	S	*	*	S	Bend	trans	-127	16.5	-176	55.9	0	0	0	0	116.1
643	Q	42	Very low	45.3	Very low	174 Å²	174	142.8 Å²	142.8	81%	0.813	77%	0.773	S	S	*	*			trans	-133.6	19.2	-178.5	-89.3	-176.5	-21	0	0	116	D645	Q643-D645 PolarHBondContact O-N 3Å
644	S	40.6	Very low	44.2	Very low	110 Å²	110	146.9 Å²	146.9	77%	0.769	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	19.6	-176	62.8	0	0	0	0	116.7
645	D	44.1	Very low	43.4	Very low	162 Å²	162	152.3 Å²	152.3	87%	0.866	80%	0.804	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.7	6.1	-171.2	-106	-7.1	0	0	0	117.6	Q643	Q643-D645 PolarHBondContact O-N 3Å
646	E	44.5	Very low	42.7	Very low	192 Å²	192	153.4 Å²	153.4	90%	0.897	81%	0.814	S	S	*	*	S	Bend	trans	-132.4	0.3	-174.2	-106.4	-178.8	164.6	0	0	118.5	A648	E646-A648 PolarHBondContact O-N 2.75Å
647	S	42.1	Very low	42.3	Very low	122 Å²	122	152.9 Å²	152.9	85%	0.853	82%	0.817	S	S	*	*			trans	-98.2	61.2	179	51.7	0	0	0	0	113.6
648	A	42.1	Very low	42	Very low	88 Å²	88	159 Å²	159	73%	0.727	83%	0.833	S	S	*	*			trans	-125	67.9	160	0	0	0	0	0	109.6	E646	E646-A648 PolarHBondContact O-N 2.75Å
649	K	45.4	Very low	41.8	Very low	189 Å²	189	162.3 Å²	162.3	82%	0.822	84%	0.844	S	S	*	*	S	Bend	trans	-176.2	96	157.4	-102.6	151.8	-175.3	-179.6	0	112.8
650	Q	42.8	Very low	41.7	Very low	180 Å²	180	161.2 Å²	161.2	84%	0.841	85%	0.849	S	S	*	*			trans	58.5	99.5	131.3	-71.8	174.5	-24.9	0	0	120.2
651	E	37.1	Very low	41.6	Very low	190 Å²	190	165 Å²	165	89%	0.888	86%	0.861	S	S	*	*				6.5	113.5	128.5	-66.5	177.2	145.9	0	0	118
652	K	41.6	Very low	41.5	Very low	205 Å²	205	165.6 Å²	165.6	89%	0.891	86%	0.863	S	S	*	*				170.2	96.2	121.6	-95.9	177.7	179	-179.9	0	110.9
653	Q	32.9	Very low	41.4	Very low	275 Å²	275	171.5 Å²	171.5	100%	1.285	88%	0.878	S	S	*	*				-177.4	0	118.6	-105.8	-178.9	1	0	0	110.2

Retrieved 653 of 653 residues in 364.8 ms (Link to these results)

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