A0A087YPM4_POEFO Loading...

Endoplasmic reticulum chaperone BIP

AlphaFold DB , UniProt , Accession A0A087YPM4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 652 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	32.3	Very low	31.7	Very low	230 Å²	230	156.8 Å²	156.8	100%	1.133	81%	0.806	S	S	*	*				0	114.2	0	-154.5	168.9	80.8	0	0	106.7
2	K	33.1	Very low	31.3	Very low	195 Å²	195	148.3 Å²	148.3	85%	0.848	79%	0.785	S	S	*	*			trans	45.4	134.6	153.5	-68.7	-177.2	178.6	-178.2	0	118.4
3	L	31.3	Very low	31.3	Very low	149 Å²	149	147.1 Å²	147.1	78%	0.78	79%	0.788	S	S	*	*			cis	-172.7	152.3	8.4	-165.9	71.9	0	0	0	106.3
4	L	33	Very low	31.2	Very low	146 Å²	146	146 Å²	146	76%	0.764	79%	0.788	S	S	*	*			trans	-37.6	153.7	163	-109.1	64.6	0	0	0	113.8
5	W	29.9	Very low	31.3	Very low	221 Å²	221	151.1 Å²	151.1	84%	0.837	79%	0.792	S	S	*	*				-171.1	120.1	107.4	-105.4	65.3	0	0	0	110.4
6	L	32.8	Very low	31.3	Very low	151 Å²	151	146 Å²	146	79%	0.791	78%	0.778	S	S	*	*			trans	-83.6	120.3	171.4	-153.1	95.1	0	0	0	106.4	V8	L6-V8 HydrophobicContact CD2-CG2 4.26Å
7	V	31.2	Very low	31.5	Very low	111 Å²	111	145.5 Å²	145.5	67%	0.673	78%	0.776	S	S	*	*			trans	-106.5	106.5	168.2	176.5	0	0	0	0	107.6	L9	V7-L9 PolarHBondContact O-N 3Å
8	V	32.8	Very low	31.8	Very low	114 Å²	114	145.2 Å²	145.2	69%	0.691	77%	0.774	S	S	*	*			trans	-70	114.8	164.6	172.6	0	0	0	0	107.1	L6 V10	L6-V8 HydrophobicContact CD2-CG2 4.26Å; V8-V10 HydrophobicContact CG1-CG2 4.44Å
9	L	29.1	Very low	32	Very low	150 Å²	150	145.3 Å²	145.3	79%	0.785	78%	0.775	S	S	*	*			trans	-104.1	106.8	167.2	-113.2	152.7	0	0	0	107.7	V7 V11	V7-L9 PolarHBondContact O-N 3Å; L9-V11 PolarHBondContact O-N 3.19Å
10	V	30.1	Very low	32.4	Very low	123 Å²	123	146.8 Å²	146.8	75%	0.745	78%	0.777	S	S	*	*			trans	-59.6	110.1	170.3	174.4	0	0	0	0	107.7	V8 G12	V8-V10 HydrophobicContact CG1-CG2 4.44Å; V10-G12 VanDerWaalsContact C-N 3.27Å; V10-G12 PolarHBondContact O-N 3Å
11	V	32.8	Very low	32.8	Very low	135 Å²	135	148.7 Å²	148.7	82%	0.818	78%	0.779	S	S	*	*			trans	-74.6	89.4	166.4	-179.6	0	0	0	0	106.5	L9 T13	L9-V11 PolarHBondContact O-N 3.19Å; V11-T13 PolarHBondContact O-N 2.87Å
12	G	27.5	Very low	33.4	Very low	54 Å²	54	146.9 Å²	146.9	56%	0.557	77%	0.765	S	S	*	*			trans	-66.9	116	164.2	0	0	0	0	0	108.3	V10 V14	V10-G12 VanDerWaalsContact C-N 3.27Å; V10-G12 PolarHBondContact O-N 3Å; G12-V14 VanDerWaalsContact C-N 3.32Å; G12-V14 PolarHBondContact O-N 2.93Å
13	T	31.6	Very low	34.4	Very low	133 Å²	133	144.9 Å²	144.9	82%	0.816	76%	0.763	S	S	*	*			trans	-64.1	93.3	166.1	46.1	0	0	0	0	108.6	V11 R15	V11-T13 PolarHBondContact O-N 2.87Å; T13-R15 VanDerWaalsContact C-N 3.35Å; T13-R15 PolarHBondContact O-N 3.39Å
14	V	29.1	Very low	36.3	Very low	132 Å²	132	143 Å²	143	80%	0.8	76%	0.763	S	S	*	*			trans	-77	96.1	158.7	-180	0	0	0	0	105.4	G12 A16	G12-V14 VanDerWaalsContact C-N 3.32Å; G12-V14 PolarHBondContact O-N 2.93Å; V14-A16 VanDerWaalsContact C-N 3.27Å; V14-A16 PolarHBondContact O-N 3.16Å
15	R	33.3	Very low	38.8	Very low	222 Å²	222	138 Å²	138	84%	0.838	74%	0.738	S	S	*	*			trans	-65.1	98.4	155	-88.4	-176.6	161.4	158.5	-6.3	105.7	T13 D17	T13-R15 VanDerWaalsContact C-N 3.35Å; T13-R15 PolarHBondContact O-N 3.39Å; R15-D17 PolarHBondContact O-N 3.49Å
16	A	31.3	Very low	41.7	Very low	70 Å²	70	129.1 Å²	129.1	58%	0.579	72%	0.715	S	S	*	*			trans	-72.2	102.2	154.8	0	0	0	0	0	105.3	V14 D18	V14-A16 VanDerWaalsContact C-N 3.27Å; V14-A16 PolarHBondContact O-N 3.16Å; A16-D18 PolarHBondContact O-N 3Å
17	D	34.4	Very low	44.6	Very low	137 Å²	137	122.8 Å²	122.8	73%	0.733	68%	0.683	S	S	*	*			trans	-68.7	73.7	156.5	-75.7	-23.5	0	0	0	106.7	R15 D19	R15-D17 PolarHBondContact O-N 3.49Å; D17-D19 PolarHBondContact O-N 3.42Å
18	D	36.8	Very low	47.7	Very low	140 Å²	140	117.6 Å²	117.6	75%	0.749	65%	0.651	S	S	*	*			trans	-88.1	63.7	159.6	-78.8	-23.7	0	0	0	107.2	A16 E20	A16-D18 PolarHBondContact O-N 3Å; D18-E20 PolarHBondContact O-N 3.17Å
19	D	36.5	Very low	50.9	Low	147 Å²	147	112.2 Å²	112.2	79%	0.786	62%	0.619	S	S	*	*			trans	-72.5	70.2	152.5	-89	-24.1	0	0	0	106.8	D17 K21	D17-D19 PolarHBondContact O-N 3.42Å; D19-K21 PolarHBondContact O-N 3.18Å
20	E	39.7	Very low	54.2	Low	175 Å²	175	105 Å²	105	82%	0.818	58%	0.581	S	S	*	*			trans	-60	95.6	147.3	-84	-169.2	165.2	0	0	104.9	D18 K22	D18-E20 PolarHBondContact O-N 3.17Å; E20-K22 PolarHBondContact O-N 3.24Å
21	K	39.4	Very low	57.4	Low	188 Å²	188	99.2 Å²	99.2	82%	0.817	55%	0.546	S	S	*	.			trans	-51.6	96	160.3	-78.7	-179.3	176.8	178.1	0	105.8	D19 D23	D19-K21 PolarHBondContact O-N 3.18Å; K21-D23 VanDerWaalsContact C-N 3.32Å; K21-D23 PolarHBondContact O-N 3.08Å
22	K	46.7	Very low	60.6	Low	192 Å²	192	93.8 Å²	93.8	84%	0.835	51%	0.512	S	S	*	.			trans	-51.2	109.7	158.2	-86.7	-177.7	174.8	178.1	0	103.9	E20 S24	E20-K22 PolarHBondContact O-N 3.24Å; K22-S24 VanDerWaalsContact C-N 3.33Å; K22-S24 PolarHBondContact O-N 3.41Å
23	D	52.3	Low	64	Low	152 Å²	152	91.5 Å²	91.5	81%	0.813	49%	0.487	S	S	*	.			trans	-52.3	107.4	171	-81.9	-34.4	0	0	0	106.1	K21 V25	K21-D23 VanDerWaalsContact C-N 3.32Å; K21-D23 PolarHBondContact O-N 3.08Å; D23-V25 PolarHBondContact O-N 3.12Å
24	S	72.3	Confident	67.1	Low	110 Å²	110	85.7 Å²	85.7	77%	0.769	45%	0.454	S	S	*	.			trans	-63.3	115.8	-179.4	173.9	0	0	0	0	106.1	K22 G26	K22-S24 VanDerWaalsContact C-N 3.33Å; K22-S24 PolarHBondContact O-N 3.41Å; S24-G26 PolarHBondContact O-N 3.13Å; S24-G26 PolarHBondContact OG-N 3.1Å
25	V	85.5	Confident	70.4	Confident	40 Å²	40	79.7 Å²	79.7	24%	0.242	42%	0.417	C	S	.	.			trans	-63.1	-0.6	177.2	-65.3	0	0	0	0	112.7	D23 V28 H165 M194	D23-V25 PolarHBondContact O-N 3.12Å; V25-V28 HydrophobicContact CB-CG2 4.48Å; V25-V28 HydrophobicContact CG2-CG2 3.87Å; V25-H165 PolarHBondContact O-ND1 3.17Å; V25-M194 HydrophobicContact CB-SD 4.49Å; V25-M194 HydrophobicContact CG1-CE 4.15Å; V25-M194 HydrophobicContact CG2-CE 4.44Å; V25-M194 HydrophobicContact CG2-SD 4.5Å
26	G	89.9	Confident	73.5	Confident	35 Å²	35	70.2 Å²	70.2	36%	0.361	39%	0.385	S	S	.	.			trans	70.3	-161.1	-175.5	0	0	0	0	0	111.3	S24 V28	S24-G26 PolarHBondContact O-N 3.13Å; S24-G26 PolarHBondContact OG-N 3.1Å; G26-V28 PolarHBondContact O-N 2.84Å
27	T	93.6	Very high	76.6	Confident	19 Å²	19	69.3 Å²	69.3	12%	0.117	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-76.6	122.8	172.4	-63.6	0	0	0	0	108.8	V42 L159 K161	T27-V42 HydrophobicContact CG2-CG2 3.41Å; T27-V42 VanDerWaalsContact CG2-CG2 3.41Å; T27-L159 HydrophobicContact CG2-CD1 3.77Å; T27-L159 HydrophobicContact CG2-CD2 4.48Å; T27-K161 VanDerWaalsContact OG1-CE 3.26Å; T27-K161 WeakPolarHBondContact OG1-CE 3.41Å; T27-K161 PolarHBondContact OG1-NZ 2.82Å
28	V	97.4	Very high	79.7	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.012	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	130.6	174.5	-172.4	0	0	0	0	107.6	V25 G26 H165 V167 M194 A400	V25-V28 HydrophobicContact CB-CG2 4.48Å; V25-V28 HydrophobicContact CG2-CG2 3.87Å; G26-V28 PolarHBondContact O-N 2.84Å; V28-H165 HydrophobicContact CB-CB 4.38Å; V28-H165 HydrophobicContact CG1-CB 4.13Å; V28-H165 HydrophobicContact CG2-CB 3.85Å; V28-V167 HydrophobicContact CG1-CG2 4.38Å; V28-M194 HydrophobicContact CB-SD 4.42Å; V28-M194 HydrophobicContact CG1-SD 3.91Å; V28-M194 HydrophobicContact CG2-SD 3.54Å; V28-M194 VanDerWaalsContact CG2-SD 3.54Å; V28-A400 HydrophobicContact CB-CB 4Å; V28-A400 HydrophobicContact CG1-CB 3.69Å; V28-A400 WeakPolarHBondContact O-CB 3.21Å
29	I	98.4	Very high	82.7	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	149.9	179.3	59.7	173.8	0	0	0	111.2	I31 V40 A155 L159 V163 H165 A166 V167	I29-I31 HydrophobicContact CD1-CD1 3.74Å; I29-I31 HydrophobicContact CD1-CG1 3.94Å; I29-I31 HydrophobicContact CG1-CD1 4.23Å; I29-I31 HydrophobicContact CG1-CG1 4.14Å; I29-V40 HydrophobicContact CB-CG2 4.21Å; I29-V40 HydrophobicContact CD1-CG2 4.03Å; I29-A155 HydrophobicContact CD1-CB 4.02Å; I29-A155 HydrophobicContact CG2-CB 3.88Å; I29-L159 HydrophobicContact CG2-CD1 4.44Å; I29-V163 HydrophobicContact CB-CG1 4.48Å; I29-V163 HydrophobicContact CD1-CG1 3.8Å; I29-V163 HydrophobicContact CG1-CG1 3.82Å; I29-V163 HydrophobicContact CG2-CG1 3.95Å; I29-V163 HydrophobicContact CG2-CG2 4.36Å; I29-H165 PolarHBondContact N-O 3.21Å; I29-A166 HydrophobicContact CG1-CB 3.93Å; I29-A166 CarbonylContact O-C 3.51Å; I29-A166 VanDerWaalsContact O-CA 3.24Å; I29-A166 WeakPolarHBondContact O-CA 3.33Å; I29-V167 PolarHBondContact O-N 2.83Å
30	G	98.7	Very high	85.6	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	122.6	169.7	0	0	0	0	0	110.2	V40 G41	G30-V40 WeakPolarHBondContact O-CA 3.34Å; G30-G41 PolarHBondContact N-O 3Å; G30-G41 PolarHBondContact O-N 2.82Å
31	I	98.9	Very high	88.4	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	120.4	179.6	-55.2	171.6	0	0	0	109.3	I29 C39 V40 L148 M151 A166 V167 V168 T169 L191	I29-I31 HydrophobicContact CD1-CD1 3.74Å; I29-I31 HydrophobicContact CD1-CG1 3.94Å; I29-I31 HydrophobicContact CG1-CD1 4.23Å; I29-I31 HydrophobicContact CG1-CG1 4.14Å; I31-C39 WeakPolarHBondContact CA-O 3.29Å; I31-V40 HydrophobicContact CG1-CB 4.46Å; I31-V40 HydrophobicContact CG1-CG2 3.99Å; I31-L148 HydrophobicContact CB-CD2 4.41Å; I31-L148 HydrophobicContact CD1-CD2 4.06Å; I31-L148 HydrophobicContact CG2-CD2 3.75Å; I31-M151 HydrophobicContact CD1-CB 4.11Å; I31-M151 HydrophobicContact CG1-CB 4.35Å; I31-M151 HydrophobicContact CG2-CB 4.05Å; I31-M151 HydrophobicContact CG2-CG 3.94Å; I31-A166 HydrophobicContact CD1-CB 4.19Å; I31-V167 PolarHBondContact N-O 3.31Å; I31-V168 WeakPolarHBondContact O-CA 3.32Å; I31-T169 WeakPolarHBondContact O-CG2 3.41Å; I31-T169 PolarHBondContact O-N 2.91Å; I31-L191 HydrophobicContact CD1-CD1 3.82Å
32	D	98.8	Very high	91.2	Very high	21 Å²	21	32 Å²	32	11%	0.112	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	107.2	159.7	-178.1	21.3	0	0	0	110	G34 S38 C39 T169 V392 A393	D32-G34 PolarHBondContact O-N 3.14Å; D32-S38 CarbonylContact O-C 3.52Å; D32-S38 WeakPolarHBondContact O-CA 3.31Å; D32-S38 WeakPolarHBondContact O-CB 3.43Å; D32-C39 HydrophobicContact CB-CB 4.23Å; D32-C39 PolarHBondContact N-O 2.86Å; D32-C39 PolarHBondContact O-N 2.94Å; D32-T169 VanDerWaalsContact CA-OG1 3.28Å; D32-T169 WeakPolarHBondContact CA-OG1 2.97Å; D32-T169 HydrophobicContact CB-CG2 4.45Å; D32-T169 PolarHBondContact OD1-OG1 2.8Å; D32-V392 HydrophobicContact CB-CB 4.21Å; D32-V392 HydrophobicContact CB-CG1 3.85Å; D32-V392 VanDerWaalsContact CG-CG1 3.45Å; D32-V392 WeakPolarHBondContact OD1-CG1 3.45Å; D32-A393 HydrophobicContact CB-CB 3.82Å
33	L	98.7	Very high	93.5	Very high	6 Å²	6	23.1 Å²	23.1	3%	0.031	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	79.2	176.4	178.3	64.9	0	0	0	109	K94 V147 L148 V168 T169 T182	L33-K94 VanDerWaalsContact O-CD 3.23Å; L33-K94 WeakPolarHBondContact O-CD 3.44Å; L33-K94 WeakPolarHBondContact O-CE 3.42Å; L33-K94 PolarHBondContact O-NZ 2.84Å; L33-V147 HydrophobicContact CD1-CB 4.17Å; L33-V147 HydrophobicContact CD1-CG1 3.88Å; L33-L148 HydrophobicContact CB-CD2 4.17Å; L33-L148 HydrophobicContact CD1-CD2 4.05Å; L33-L148 HydrophobicContact CD1-CG 4.2Å; L33-L148 HydrophobicContact CD2-CD1 4.24Å; L33-L148 HydrophobicContact CD2-CD2 4.14Å; L33-L148 HydrophobicContact CD2-CG 4.2Å; L33-L148 HydrophobicContact CG-CD2 4.34Å; L33-V168 HydrophobicContact CB-CG1 4.17Å; L33-T169 PolarHBondContact N-OG1 3.43Å; L33-T182 HydrophobicContact CD2-CG2 4Å
34	G	97.6	Very high	95.2	Very high	12 Å²	12	20 Å²	20	12%	0.124	12%	0.122	C	C	.	.			trans	-81.2	165.2	-177.6	0	0	0	0	0	114.2	D32 Y37 S62	D32-G34 PolarHBondContact O-N 3.14Å; G34-Y37 CarbonylContact C-O 3.57Å; G34-Y37 WeakPolarHBondContact CA-O 3.39Å; G34-Y37 PolarHBondContact N-O 3.37Å; G34-S62 WeakPolarHBondContact O-CB 3.37Å; G34-S62 PolarHBondContact O-OG 3.02Å
35	T	97.9	Very high	95.9	Very high	5 Å²	5	20.7 Å²	20.7	3%	0.031	12%	0.117	C	C	.	.	S	Bend	trans	-62.3	-45.3	178.9	-52	0	0	0	0	112.2	S62 D92 K94 R95 G226	T35-S62 WeakPolarHBondContact O-CB 3.39Å; T35-D92 HydrophobicContact CG2-CB 4.37Å; T35-K94 HydrophobicContact CG2-CB 4.44Å; T35-R95 HydrophobicContact CG2-CG 4.2Å; T35-G226 WeakPolarHBondContact OG1-CA 3.48Å; T35-G226 PolarHBondContact OG1-N 3.16Å
36	T	97.6	Very high	96	Very high	24 Å²	24	20.6 Å²	20.6	15%	0.147	13%	0.125	C	C	.	.	S	Bend	trans	-106.8	-34	-173.8	47.6	0	0	0	0	112.8	P61 S62 E254	T36-P61 CarbonylContact O-C 3.45Å; T36-P61 WeakPolarHBondContact O-CA 3.34Å; T36-S62 PolarHBondContact O-N 3.13Å; T36-E254 HydrophobicContact CG2-CG 3.92Å; T36-E254 VanDerWaalsContact CG2-OE1 3.3Å; T36-E254 WeakPolarHBondContact CG2-OE1 3.42Å
37	Y	98.4	Very high	96.1	Very high	50 Å²	50	26 Å²	26	20%	0.196	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	145	178	-71.4	-91.7	0	0	0	109.4	G34 I59 T60 P61 K79 R295	G34-Y37 CarbonylContact C-O 3.57Å; G34-Y37 WeakPolarHBondContact CA-O 3.39Å; G34-Y37 PolarHBondContact N-O 3.37Å; Y37-I59 HydrophobicContact CD1-CB 4.15Å; Y37-I59 HydrophobicContact CD1-CD1 3.71Å; Y37-I59 HydrophobicContact CD1-CG1 3.76Å; Y37-I59 HydrophobicContact CE1-CD1 4.14Å; Y37-I59 HydrophobicContact CE1-CG1 4.29Å; Y37-I59 HydrophobicContact CG-CD1 3.97Å; Y37-I59 HydrophobicContact CG-CG1 4.39Å; Y37-T60 CarbonylContact C-O 3.57Å; Y37-T60 VanDerWaalsContact CA-O 3.31Å; Y37-T60 WeakPolarHBondContact CA-O 3.48Å; Y37-P61 HydrophobicContact CD1-CB 4.48Å; Y37-P61 HydrophobicContact CD1-CG 4.2Å; Y37-P61 HydrophobicContact CE1-CB 4.28Å; Y37-P61 HydrophobicContact CE1-CG 3.72Å; Y37-K79 PolarHBondContact OH-NZ 3.1Å; Y37-R295 VanDerWaalsContact CE2-NH2 3.27Å
38	S	98.8	Very high	96.2	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	152.9	170.3	-59.9	0	0	0	0	110	D32 I59 T60 S62 V147	D32-S38 CarbonylContact O-C 3.52Å; D32-S38 WeakPolarHBondContact O-CA 3.31Å; D32-S38 WeakPolarHBondContact O-CB 3.43Å; S38-I59 CarbonylContact O-C 3.6Å; S38-I59 WeakPolarHBondContact O-CA 3.43Å; S38-T60 PolarHBondContact N-O 3.35Å; S38-T60 PolarHBondContact O-N 2.77Å; S38-S62 PolarHBondContact OG-OG 3.49Å; S38-V147 WeakPolarHBondContact OG-CG1 3.11Å
39	C	98.8	Very high	96.1	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.007	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	144.4	-178	-174.9	0	0	0	0	109.5	I31 D32 I50 R58 I59 A393	I31-C39 WeakPolarHBondContact CA-O 3.29Å; D32-C39 HydrophobicContact CB-CB 4.23Å; D32-C39 PolarHBondContact N-O 2.86Å; D32-C39 PolarHBondContact O-N 2.94Å; C39-I50 VanDerWaalsContact SG-CG2 3.57Å; C39-R58 PolarHBondContact SG-O 2.86Å; C39-I59 HydrophobicContact CB-CG2 4.07Å; C39-A393 HydrophobicContact CB-CB 3.68Å; C39-A393 VanDerWaalsContact SG-CB 3.52Å
40	V	98.8	Very high	96.1	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.018	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	135.3	179.8	60.8	0	0	0	0	110.5	I29 G30 I31 I51 M151 T154 A155	I29-V40 HydrophobicContact CB-CG2 4.21Å; I29-V40 HydrophobicContact CD1-CG2 4.03Å; G30-V40 WeakPolarHBondContact O-CA 3.34Å; I31-V40 HydrophobicContact CG1-CB 4.46Å; I31-V40 HydrophobicContact CG1-CG2 3.99Å; V40-I51 HydrophobicContact CG1-CB 4.21Å; V40-I51 PolarHBondContact O-N 3.31Å; V40-M151 HydrophobicContact CB-CB 4.21Å; V40-M151 HydrophobicContact CB-SD 4.35Å; V40-M151 HydrophobicContact CG1-CB 4.48Å; V40-M151 HydrophobicContact CG1-SD 4.22Å; V40-T154 HydrophobicContact CG1-CG2 4.03Å; V40-A155 HydrophobicContact CG2-CB 4.19Å
41	G	98.4	Very high	96.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	159.7	177	0	0	0	0	0	112.2	G30 E49 A397	G30-G41 PolarHBondContact N-O 3Å; G30-G41 PolarHBondContact O-N 2.82Å; G41-E49 VanDerWaalsContact CA-O 3.26Å; G41-E49 WeakPolarHBondContact CA-O 3.45Å; G41-A397 VanDerWaalsContact C-CB 3.5Å
42	V	97.6	Very high	96.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	140.4	173.7	65.1	0	0	0	0	109.5	T27 V48 E49 I51 Y158	T27-V42 HydrophobicContact CG2-CG2 3.41Å; T27-V42 VanDerWaalsContact CG2-CG2 3.41Å; V42-V48 WeakPolarHBondContact O-CA 3.48Å; V42-E49 HydrophobicContact CG1-CB 4.19Å; V42-E49 PolarHBondContact N-O 2.79Å; V42-E49 PolarHBondContact O-N 3.43Å; V42-I51 HydrophobicContact CB-CD1 4.3Å; V42-I51 HydrophobicContact CG1-CD1 3.94Å; V42-I51 HydrophobicContact CG1-CG1 4.31Å; V42-Y158 HydrophobicContact CG1-CE1 4.32Å
43	F	95.3	Very high	96	Very high	6 Å²	6	30.5 Å²	30.5	3%	0.026	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	121.7	168.4	-167.5	-83.1	0	0	0	108.8	G46 R47 V48 A397 V398 E406 D408 T409	F43-G46 VanDerWaalsContact CZ-C 3.45Å; F43-R47 WeakPolarHBondContact CA-O 3.42Å; F43-V48 HydrophobicContact CD2-CG2 3.72Å; F43-V48 HydrophobicContact CE2-CG2 4.41Å; F43-A397 WeakPolarHBondContact CB-O 3.29Å; F43-V398 HydrophobicContact CD2-CG2 4.33Å; F43-E406 HydrophobicContact CD1-CB 4.34Å; F43-D408 WeakPolarHBondContact CZ-O 3.19Å; F43-T409 HydrophobicContact CD1-CG2 3.49Å; F43-T409 VanDerWaalsContact CD1-CG2 3.49Å; F43-T409 HydrophobicContact CD2-CG2 4.27Å; F43-T409 HydrophobicContact CE1-CG2 3.37Å; F43-T409 HydrophobicContact CE2-CG2 4.17Å; F43-T409 HydrophobicContact CG-CG2 3.96Å; F43-T409 HydrophobicContact CZ-CG2 3.75Å
44	K	88.3	Confident	95.6	Very high	85 Å²	85	35.9 Å²	35.9	37%	0.37	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	140.4	-179.2	-166.7	-180	179.5	-175.6	0	110.1	G46 R47	K44-G46 VanDerWaalsContact C-N 3.3Å; K44-G46 PolarHBondContact O-N 2.76Å; K44-R47 PolarHBondContact N-O 2.88Å; K44-R47 WeakPolarHBondContact O-CG 3.35Å; K44-R47 PolarHBondContact O-N 2.61Å
45	N	87.3	Confident	95.3	Very high	125 Å²	125	40.3 Å²	40.3	67%	0.668	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	43.3	178	-52.6	-33	0	0	0	112.7	R47	N45-R47 VanDerWaalsContact C-N 3.25Å; N45-R47 PolarHBondContact O-N 2.85Å
46	G	86.9	Confident	95.2	Very high	39 Å²	39	42.6 Å²	42.6	40%	0.402	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	11.6	178.1	0	0	0	0	0	115.5	F43 K44	F43-G46 VanDerWaalsContact CZ-C 3.45Å; K44-G46 VanDerWaalsContact C-N 3.3Å; K44-G46 PolarHBondContact O-N 2.76Å
47	R	91.8	Very high	95.2	Very high	149 Å²	149	44.7 Å²	44.7	56%	0.562	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-142.5	161.3	177.6	68	179.9	-173.5	-156.2	0.8	112.1	F43 K44 N45 E49	F43-R47 WeakPolarHBondContact CA-O 3.42Å; K44-R47 PolarHBondContact N-O 2.88Å; K44-R47 WeakPolarHBondContact O-CG 3.35Å; K44-R47 PolarHBondContact O-N 2.61Å; N45-R47 VanDerWaalsContact C-N 3.25Å; N45-R47 PolarHBondContact O-N 2.85Å; R47-E49 HydrophobicContact CG-CG 4.43Å; R47-E49 IonicContact CZ-OE1 2.7Å; R47-E49 IonicContact NE-OE1 3.44Å; R47-E49 PolarHBondContact NE-OE1 3.17Å; R47-E49 VanDerWaalsContact NE-OE1 3.11Å; R47-E49 IonicContact NH2-OE1 3.35Å; R47-E49 PolarHBondContact NH2-OE1 2.97Å
48	V	95.3	Very high	95.1	Very high	17 Å²	17	48.8 Å²	48.8	10%	0.103	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	136.7	169	176.3	0	0	0	0	110.3	V42 F43 I50 Y394 A397 V398	V42-V48 WeakPolarHBondContact O-CA 3.48Å; F43-V48 HydrophobicContact CD2-CG2 3.72Å; F43-V48 HydrophobicContact CE2-CG2 4.41Å; V48-I50 HydrophobicContact CG1-CD1 4.11Å; V48-Y394 HydrophobicContact CB-CD1 4.31Å; V48-Y394 HydrophobicContact CB-CD2 3.68Å; V48-Y394 HydrophobicContact CB-CE1 4.09Å; V48-Y394 HydrophobicContact CB-CE2 3.44Å; V48-Y394 VanDerWaalsContact CB-CE2 3.44Å; V48-Y394 HydrophobicContact CB-CG 4.11Å; V48-Y394 HydrophobicContact CG1-CD1 4.48Å; V48-Y394 HydrophobicContact CG1-CD2 3.6Å; V48-Y394 HydrophobicContact CG1-CE2 3.92Å; V48-Y394 HydrophobicContact CG1-CG 3.91Å; V48-Y394 HydrophobicContact CG2-CD1 3.89Å; V48-Y394 HydrophobicContact CG2-CD2 4.18Å; V48-Y394 HydrophobicContact CG2-CE1 3.6Å; V48-Y394 HydrophobicContact CG2-CE2 3.94Å; V48-Y394 HydrophobicContact CG2-CG 4.15Å; V48-A397 HydrophobicContact CG1-CB 3.85Å; V48-A397 HydrophobicContact CG2-CB 4.36Å; V48-V398 HydrophobicContact CG2-CG2 3.53Å
49	E	96.7	Very high	95.1	Very high	27 Å²	27	50.8 Å²	50.8	13%	0.126	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	116.1	170.4	-64	-177	160.3	0	0	108.9	G41 V42 R47 Y158	G41-E49 VanDerWaalsContact CA-O 3.26Å; G41-E49 WeakPolarHBondContact CA-O 3.45Å; V42-E49 HydrophobicContact CG1-CB 4.19Å; V42-E49 PolarHBondContact N-O 2.79Å; V42-E49 PolarHBondContact O-N 3.43Å; R47-E49 HydrophobicContact CG-CG 4.43Å; R47-E49 IonicContact CZ-OE1 2.7Å; R47-E49 IonicContact NE-OE1 3.44Å; R47-E49 PolarHBondContact NE-OE1 3.17Å; R47-E49 VanDerWaalsContact NE-OE1 3.11Å; R47-E49 IonicContact NH2-OE1 3.35Å; R47-E49 PolarHBondContact NH2-OE1 2.97Å; E49-Y158 WeakPolarHBondContact OE2-CE1 3.13Å; E49-Y158 PolarHBondContact OE2-OH 2.89Å
50	I	98.2	Very high	95.1	Very high	27 Å²	27	50.9 Å²	50.9	14%	0.138	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	121.9	169.7	-58.9	-59.3	0	0	0	108	C39 V48 R58 E390 A393	C39-I50 VanDerWaalsContact SG-CG2 3.57Å; V48-I50 HydrophobicContact CG1-CD1 4.11Å; I50-R58 HydrophobicContact CG2-CB 3.93Å; I50-R58 HydrophobicContact CG2-CG 4.21Å; I50-E390 HydrophobicContact CG1-CB 4.28Å; I50-E390 HydrophobicContact CG2-CG 4.3Å; I50-A393 HydrophobicContact CD1-CB 4.18Å
51	I	98.4	Very high	95.1	Very high	6 Å²	6	50.8 Å²	50.8	3%	0.031	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-91.7	128.9	-168.1	-51.4	175	0	0	0	109.3	V40 V42 T154 A155 Y158	V40-I51 HydrophobicContact CG1-CB 4.21Å; V40-I51 PolarHBondContact O-N 3.31Å; V42-I51 HydrophobicContact CB-CD1 4.3Å; V42-I51 HydrophobicContact CG1-CD1 3.94Å; V42-I51 HydrophobicContact CG1-CG1 4.31Å; I51-T154 HydrophobicContact CB-CG2 4.44Å; I51-T154 HydrophobicContact CG2-CG2 3.82Å; I51-A155 HydrophobicContact CD1-CB 3.89Å; I51-Y158 HydrophobicContact CD1-CD1 3.81Å; I51-Y158 HydrophobicContact CD1-CG 4.24Å; I51-Y158 HydrophobicContact CG1-CD1 4.02Å; I51-Y158 HydrophobicContact CG1-CE1 4.48Å; I51-Y158 HydrophobicContact CG1-CG 4.29Å; I51-Y158 HydrophobicContact CG2-CD1 4.33Å; I51-Y158 HydrophobicContact CG2-CD2 4.15Å; I51-Y158 HydrophobicContact CG2-CG 3.74Å
52	A	98.1	Very high	95.1	Very high	46 Å²	46	51.4 Å²	51.4	38%	0.38	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-78.7	143.6	172.9	0	0	0	0	0	110.9	N57 R58 T154	A52-N57 CarbonylContact C-O 3.36Å; A52-N57 WeakPolarHBondContact CA-O 3.39Å; A52-R58 HydrophobicContact CB-CG 4.4Å; A52-T154 WeakPolarHBondContact O-CG2 3.43Å
53	N	96.7	Very high	95.2	Very high	13 Å²	13	51.7 Å²	51.7	7%	0.07	28%	0.275	C	S	.	.			trans	-72.7	-179	173.3	73.6	8.6	0	0	0	112.1	Q55 G56 N57 T60 D76 T154	N53-Q55 PolarHBondContact O-N 2.79Å; N53-Q55 VanDerWaalsContact O-N 3.12Å; N53-Q55 WeakPolarHBondContact OD1-CA 3.32Å; N53-Q55 WeakPolarHBondContact OD1-CB 3.39Å; N53-Q55 PolarHBondContact OD1-N 2.99Å; N53-G56 PolarHBondContact O-N 3.24Å; N53-G56 PolarHBondContact OD1-N 2.85Å; N53-N57 PolarHBondContact N-O 2.73Å; N53-N57 PolarHBondContact OD1-N 3.22Å; N53-N57 PolarHBondContact OD1-O 3.35Å; N53-T60 PolarHBondContact ND2-OG1 3.39Å; N53-D76 PolarHBondContact ND2-OD2 2.99Å; N53-T154 HydrophobicContact CB-CG2 4.27Å
54	D	90.8	Very high	95.3	Very high	118 Å²	118	51.5 Å²	51.5	63%	0.631	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-15.7	178.7	52.3	8.9	0	0	0	114.7	K150	D54-K150 IonicContact OD1-NZ 2.84Å; D54-K150 IonicContact OD2-NZ 3.95Å; D54-K150 PolarHBondContact OD2-NZ 2.92Å
55	Q	91.5	Very high	95.8	Very high	105 Å²	105	47.4 Å²	47.4	49%	0.491	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	3.5	172.4	-56.9	-157.9	-12	0	0	113.5	N53 N57	N53-Q55 PolarHBondContact O-N 2.79Å; N53-Q55 VanDerWaalsContact O-N 3.12Å; N53-Q55 WeakPolarHBondContact OD1-CA 3.32Å; N53-Q55 WeakPolarHBondContact OD1-CB 3.39Å; N53-Q55 PolarHBondContact OD1-N 2.99Å; Q55-N57 VanDerWaalsContact C-N 3.32Å
56	G	95.1	Very high	96.3	Very high	54 Å²	54	41.5 Å²	41.5	56%	0.557	23%	0.225	S	C	*	.	S	Bend	trans	79.9	9.2	-177.8	0	0	0	0	0	114.4	N53	N53-G56 PolarHBondContact O-N 3.24Å; N53-G56 PolarHBondContact OD1-N 2.85Å
57	N	97.5	Very high	96.6	Very high	67 Å²	67	40.5 Å²	40.5	36%	0.358	21%	0.211	S	C	.	.			trans	-89.5	132.1	178.5	-60.7	-43.8	0	0	0	110.7	A52 N53 Q55 I59 D76	A52-N57 CarbonylContact C-O 3.36Å; A52-N57 WeakPolarHBondContact CA-O 3.39Å; N53-N57 PolarHBondContact N-O 2.73Å; N53-N57 PolarHBondContact OD1-N 3.22Å; N53-N57 PolarHBondContact OD1-O 3.35Å; Q55-N57 VanDerWaalsContact C-N 3.32Å; N57-I59 VanDerWaalsContact C-N 3.28Å; N57-I59 WeakPolarHBondContact CB-O 3.13Å; N57-I59 PolarHBondContact O-N 3.21Å; N57-D76 PolarHBondContact ND2-OD2 3.07Å
58	R	97.7	Very high	96.5	Very high	137 Å²	137	37.6 Å²	37.6	52%	0.517	21%	0.214	S	C	.	.	S	Bend	trans	-76.9	-12.6	177	-71.5	-177.9	179.6	-178	-2.6	114.7	C39 I50 A52 E390	C39-R58 PolarHBondContact SG-O 2.86Å; I50-R58 HydrophobicContact CG2-CB 3.93Å; I50-R58 HydrophobicContact CG2-CG 4.21Å; A52-R58 HydrophobicContact CB-CG 4.4Å; R58-E390 WeakPolarHBondContact CD-OE1 3.2Å; R58-E390 IonicContact NH1-OE1 2.65Å; R58-E390 PolarHBondContact NH1-OE1 3.04Å; R58-E390 IonicContact NH1-OE2 3.37Å
59	I	98.1	Very high	96.1	Very high	41 Å²	41	44 Å²	44	21%	0.21	24%	0.242	C	C	.	.	S	Bend	trans	-127.5	141	173.9	62.4	176.5	0	0	0	107.7	Y37 S38 C39 N57	Y37-I59 HydrophobicContact CD1-CB 4.15Å; Y37-I59 HydrophobicContact CD1-CD1 3.71Å; Y37-I59 HydrophobicContact CD1-CG1 3.76Å; Y37-I59 HydrophobicContact CE1-CD1 4.14Å; Y37-I59 HydrophobicContact CE1-CG1 4.29Å; Y37-I59 HydrophobicContact CG-CD1 3.97Å; Y37-I59 HydrophobicContact CG-CG1 4.39Å; S38-I59 CarbonylContact O-C 3.6Å; S38-I59 WeakPolarHBondContact O-CA 3.43Å; C39-I59 HydrophobicContact CB-CG2 4.07Å; N57-I59 VanDerWaalsContact C-N 3.28Å; N57-I59 WeakPolarHBondContact CB-O 3.13Å; N57-I59 PolarHBondContact O-N 3.21Å
60	T	98.7	Very high	95.6	Very high	4 Å²	4	44.1 Å²	44.1	3%	0.025	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	131.3	-178.4	-64.6	0	0	0	0	109.3	Y37 S38 N53 S62 G75 K150 M151	Y37-T60 CarbonylContact C-O 3.57Å; Y37-T60 VanDerWaalsContact CA-O 3.31Å; Y37-T60 WeakPolarHBondContact CA-O 3.48Å; S38-T60 PolarHBondContact N-O 3.35Å; S38-T60 PolarHBondContact O-N 2.77Å; N53-T60 PolarHBondContact ND2-OG1 3.39Å; T60-S62 PolarHBondContact O-N 3.17Å; T60-G75 VanDerWaalsContact CG2-CA 3.49Å; T60-K150 HydrophobicContact CG2-CG 4.43Å; T60-M151 HydrophobicContact CG2-CE 3.67Å; T60-M151 WeakPolarHBondContact OG1-CE 3.34Å
61	P	98.6	Very high	95.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	136.8	176.2	-24.7	32.3	0	0	0	112.3	T36 Y37 Y63 G75 D76 K79	T36-P61 CarbonylContact O-C 3.45Å; T36-P61 WeakPolarHBondContact O-CA 3.34Å; Y37-P61 HydrophobicContact CD1-CB 4.48Å; Y37-P61 HydrophobicContact CD1-CG 4.2Å; Y37-P61 HydrophobicContact CE1-CB 4.28Å; Y37-P61 HydrophobicContact CE1-CG 3.72Å; P61-Y63 HydrophobicContact CB-CD2 3.52Å; P61-Y63 HydrophobicContact CB-CE2 4.21Å; P61-Y63 HydrophobicContact CB-CG 4.23Å; P61-Y63 PolarHBondContact O-N 2.6Å; P61-G75 WeakPolarHBondContact O-CA 3.28Å; P61-D76 WeakPolarHBondContact CD-OD1 3.42Å; P61-D76 VanDerWaalsContact CG-OD1 3.26Å; P61-D76 WeakPolarHBondContact CG-OD1 3.37Å; P61-K79 HydrophobicContact CB-CB 4.15Å; P61-K79 HydrophobicContact CB-CD 3.91Å; P61-K79 HydrophobicContact CG-CB 4.24Å; P61-K79 HydrophobicContact CG-CD 3.83Å
62	S	98.8	Very high	95.1	Very high	13 Å²	13	47 Å²	47	9%	0.091	26%	0.263	C	S	.	.			trans	-79	59.8	174.5	-58.4	0	0	0	0	110.8	G34 T35 T36 S38 T60	G34-S62 WeakPolarHBondContact O-CB 3.37Å; G34-S62 PolarHBondContact O-OG 3.02Å; T35-S62 WeakPolarHBondContact O-CB 3.39Å; T36-S62 PolarHBondContact O-N 3.13Å; S38-S62 PolarHBondContact OG-OG 3.49Å; T60-S62 PolarHBondContact O-N 3.17Å
63	Y	98.8	Very high	95	Very high	7 Å²	7	46 Å²	46	3%	0.027	25%	0.251	C	S	.	.			trans	-120.9	140.2	-175.4	-79.4	-111.9	0	0	0	110.1	P61 I74 G75 K79 L82 T89 V90 F91	P61-Y63 HydrophobicContact CB-CD2 3.52Å; P61-Y63 HydrophobicContact CB-CE2 4.21Å; P61-Y63 HydrophobicContact CB-CG 4.23Å; P61-Y63 PolarHBondContact O-N 2.6Å; Y63-I74 WeakPolarHBondContact O-CA 3.49Å; Y63-G75 PolarHBondContact O-N 3.28Å; Y63-K79 HydrophobicContact CD1-CB 4.04Å; Y63-K79 HydrophobicContact CD1-CG 4.4Å; Y63-K79 HydrophobicContact CD2-CB 4.31Å; Y63-K79 HydrophobicContact CD2-CD 4.42Å; Y63-K79 HydrophobicContact CE1-CB 4.45Å; Y63-K79 HydrophobicContact CE1-CG 4.31Å; Y63-K79 HydrophobicContact CE2-CD 4.14Å; Y63-K79 HydrophobicContact CE2-CG 4.46Å; Y63-K79 HydrophobicContact CG-CB 3.98Å; Y63-L82 HydrophobicContact CE1-CD2 4.15Å; Y63-T89 HydrophobicContact CD1-CG2 4Å; Y63-V90 WeakPolarHBondContact CA-O 3.18Å; Y63-F91 HydrophobicContact CD1-CB 3.64Å; Y63-F91 HydrophobicContact CD1-CD1 4.14Å; Y63-F91 HydrophobicContact CD1-CG 4.18Å; Y63-F91 HydrophobicContact CD2-CB 4.05Å; Y63-F91 HydrophobicContact CE1-CB 3.4Å; Y63-F91 VanDerWaalsContact CE1-CB 3.4Å; Y63-F91 AromaticContact CE1-CD1 3.6Å; Y63-F91 HydrophobicContact CE1-CD1 3.6Å; Y63-F91 HydrophobicContact CE1-CD2 4.4Å; Y63-F91 HydrophobicContact CE1-CE1 4.49Å; Y63-F91 AromaticContact CE1-CG 3.55Å; Y63-F91 HydrophobicContact CE1-CG 3.55Å; Y63-F91 HydrophobicContact CE2-CB 3.86Å; Y63-F91 HydrophobicContact CG-CB 3.94Å; Y63-F91 AromaticContact CZ-CG 3.78Å
64	V	98.8	Very high	95.1	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	134.1	173.1	179.3	0	0	0	0	108	F66 R72 L73 I74 T89 V90 I143 M146 V147	V64-F66 HydrophobicContact CG1-CE2 3.97Å; V64-F66 HydrophobicContact CG1-CZ 4.17Å; V64-R72 HydrophobicContact CG1-CG 4.36Å; V64-L73 CarbonylContact C-O 3.56Å; V64-L73 WeakPolarHBondContact CA-O 3.33Å; V64-I74 HydrophobicContact CG2-CG2 4.4Å; V64-T89 CarbonylContact O-C 3.49Å; V64-V90 PolarHBondContact N-O 3.37Å; V64-V90 PolarHBondContact O-N 2.88Å; V64-I143 HydrophobicContact CB-CG2 4.35Å; V64-I143 HydrophobicContact CG2-CG2 4Å; V64-M146 HydrophobicContact CG1-SD 3.6Å; V64-M146 VanDerWaalsContact CG1-SD 3.6Å; V64-M146 HydrophobicContact CG2-CB 3.91Å; V64-M146 HydrophobicContact CG2-SD 4.46Å; V64-V147 HydrophobicContact CG2-CG2 3.97Å
65	A	98.5	Very high	95.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	154.6	173.5	0	0	0	0	0	111.7	R72 L73 A78 N88 T89	A65-R72 CarbonylContact O-C 3.58Å; A65-R72 WeakPolarHBondContact O-CA 3.34Å; A65-L73 HydrophobicContact CB-CB 4.31Å; A65-L73 PolarHBondContact N-O 3.27Å; A65-L73 PolarHBondContact O-N 2.88Å; A65-A78 HydrophobicContact CB-CB 3.86Å; A65-N88 VanDerWaalsContact CA-O 3.25Å; A65-N88 WeakPolarHBondContact CA-O 3.31Å; A65-T89 HydrophobicContact CB-CG2 4.13Å
66	F	97.4	Very high	95.7	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	126.2	171.6	-59.8	-89.9	0	0	0	109	V64 E71 R72 N85 N88 V128 D129 I130 F138 M146	V64-F66 HydrophobicContact CG1-CE2 3.97Å; V64-F66 HydrophobicContact CG1-CZ 4.17Å; F66-E71 CarbonylContact C-O 3.49Å; F66-E71 WeakPolarHBondContact CA-O 3.3Å; F66-R72 HydrophobicContact CD1-CB 4.18Å; F66-R72 HydrophobicContact CD1-CG 4.24Å; F66-R72 HydrophobicContact CE1-CB 4.09Å; F66-R72 HydrophobicContact CE1-CG 3.81Å; F66-R72 HydrophobicContact CZ-CG 4.31Å; F66-N85 PolarHBondContact O-ND2 2.92Å; F66-N88 PolarHBondContact N-O 3Å; F66-N88 VanDerWaalsContact N-O 3.1Å; F66-V128 HydrophobicContact CD2-CB 4.41Å; F66-V128 HydrophobicContact CD2-CG2 3.72Å; F66-V128 HydrophobicContact CE2-CG2 3.87Å; F66-D129 WeakPolarHBondContact CB-O 3.35Å; F66-I130 HydrophobicContact CB-CB 4.47Å; F66-I130 HydrophobicContact CB-CG2 4.35Å; F66-I130 HydrophobicContact CD1-CB 4.05Å; F66-I130 HydrophobicContact CD1-CG2 3.72Å; F66-I130 HydrophobicContact CD2-CG2 4.18Å; F66-I130 HydrophobicContact CE1-CG2 3.99Å; F66-I130 HydrophobicContact CE2-CG2 4.43Å; F66-I130 HydrophobicContact CG-CB 4.32Å; F66-I130 HydrophobicContact CG-CG2 3.82Å; F66-I130 HydrophobicContact CZ-CG2 4.34Å; F66-F138 HydrophobicContact CE1-CE2 4.41Å; F66-F138 HydrophobicContact CE1-CZ 4.17Å; F66-F138 HydrophobicContact CE2-CD2 4.45Å; F66-F138 AromaticContact CE2-CE2 3.78Å; F66-F138 HydrophobicContact CE2-CE2 3.78Å; F66-F138 HydrophobicContact CE2-CZ 4.26Å; F66-F138 AromaticContact CZ-CE2 3.64Å; F66-F138 HydrophobicContact CZ-CE2 3.64Å; F66-F138 AromaticContact CZ-CZ 3.63Å; F66-F138 HydrophobicContact CZ-CZ 3.63Å; F66-M146 HydrophobicContact CZ-CE 4Å; F66-M146 HydrophobicContact CZ-SD 3.9Å
67	T	94.3	Very high	95.7	Very high	17 Å²	17	36 Å²	36	10%	0.104	19%	0.194	C	C	.	.			trans	-80.8	164.9	179.5	75.9	0	0	0	0	111	E69 G70 E71 L73	T67-E69 WeakPolarHBondContact CB-OE2 3.28Å; T67-E69 PolarHBondContact O-N 3.28Å; T67-E69 PolarHBondContact OG1-N 2.95Å; T67-E69 PolarHBondContact OG1-OE2 3.18Å; T67-G70 PolarHBondContact O-N 3.23Å; T67-G70 PolarHBondContact OG1-N 3.12Å; T67-E71 HydrophobicContact CG2-CB 3.97Å; T67-E71 PolarHBondContact N-O 3.17Å; T67-E71 WeakPolarHBondContact OG1-CB 3.25Å; T67-E71 PolarHBondContact OG1-N 2.94Å; T67-L73 HydrophobicContact CG2-CD1 3.77Å; T67-L73 HydrophobicContact CG2-CG 4Å
68	S	89.6	Confident	95.8	Very high	88 Å²	88	32.9 Å²	32.9	62%	0.615	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-27.9	174.7	30.5	0	0	0	0	112.9	G70 G131	S68-G70 VanDerWaalsContact C-N 3.26Å; S68-G131 WeakPolarHBondContact O-CA 3.31Å
69	E	86.2	Confident	95.8	Very high	152 Å²	152	28.3 Å²	28.3	71%	0.71	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-7.3	179.1	-58.1	67.8	-136.1	0	0	112.2	T67	T67-E69 WeakPolarHBondContact CB-OE2 3.28Å; T67-E69 PolarHBondContact O-N 3.28Å; T67-E69 PolarHBondContact OG1-N 2.95Å; T67-E69 PolarHBondContact OG1-OE2 3.18Å
70	G	85.9	Confident	95.7	Very high	29 Å²	29	31.8 Å²	31.8	30%	0.299	18%	0.179	S	C	.	.	S	Bend	trans	89.2	12.3	179.5	0	0	0	0	0	115.1	T67 S68 I130	T67-G70 PolarHBondContact O-N 3.23Å; T67-G70 PolarHBondContact OG1-N 3.12Å; S68-G70 VanDerWaalsContact C-N 3.26Å; G70-I130 WeakPolarHBondContact CA-O 3.28Å
71	E	90.5	Very high	95.6	Very high	78 Å²	78	33.1 Å²	33.1	36%	0.364	19%	0.185	S	C	.	.	P	Polyproline II helix	trans	-75.7	137.4	173	-178.5	-179.1	178.5	0	0	110.6	F66 T67 L73 L553	F66-E71 CarbonylContact C-O 3.49Å; F66-E71 WeakPolarHBondContact CA-O 3.3Å; T67-E71 HydrophobicContact CG2-CB 3.97Å; T67-E71 PolarHBondContact N-O 3.17Å; T67-E71 WeakPolarHBondContact OG1-CB 3.25Å; T67-E71 PolarHBondContact OG1-N 2.94Å; E71-L73 HydrophobicContact CG-CD2 3.93Å; E71-L73 VanDerWaalsContact OE1-CD2 3.27Å; E71-L73 WeakPolarHBondContact OE1-CD2 3.35Å; E71-L553 HydrophobicContact CG-CD2 3.66Å; E71-L553 WeakPolarHBondContact OE1-CD2 3.31Å
72	R	95.1	Very high	95.6	Very high	16 Å²	16	33.5 Å²	33.5	6%	0.06	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	118.2	172.4	-176.4	179.1	66.9	172.6	4.5	110.2	V64 A65 F66 I74 F546 D550	V64-R72 HydrophobicContact CG1-CG 4.36Å; A65-R72 CarbonylContact O-C 3.58Å; A65-R72 WeakPolarHBondContact O-CA 3.34Å; F66-R72 HydrophobicContact CD1-CB 4.18Å; F66-R72 HydrophobicContact CD1-CG 4.24Å; F66-R72 HydrophobicContact CE1-CB 4.09Å; F66-R72 HydrophobicContact CE1-CG 3.81Å; F66-R72 HydrophobicContact CZ-CG 4.31Å; R72-I74 HydrophobicContact CG-CG1 4.25Å; R72-F546 VanDerWaalsContact CZ-CB 3.47Å; R72-F546 VanDerWaalsContact NH1-CB 3.35Å; R72-D550 IonicContact CZ-OD2 3.65Å; R72-D550 IonicContact NE-OD2 2.61Å; R72-D550 PolarHBondContact NE-OD2 3.44Å; R72-D550 IonicContact NH2-OD2 3.5Å; R72-D550 PolarHBondContact NH2-OD2 3.47Å
73	L	96.8	Very high	95.4	Very high	26 Å²	26	33.9 Å²	33.9	14%	0.136	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	139.1	175.1	-55.5	177.4	0	0	0	109.9	V64 A65 T67 E71 A77 A78 Q81	V64-L73 CarbonylContact C-O 3.56Å; V64-L73 WeakPolarHBondContact CA-O 3.33Å; A65-L73 HydrophobicContact CB-CB 4.31Å; A65-L73 PolarHBondContact N-O 3.27Å; A65-L73 PolarHBondContact O-N 2.88Å; T67-L73 HydrophobicContact CG2-CD1 3.77Å; T67-L73 HydrophobicContact CG2-CG 4Å; E71-L73 HydrophobicContact CG-CD2 3.93Å; E71-L73 VanDerWaalsContact OE1-CD2 3.27Å; E71-L73 WeakPolarHBondContact OE1-CD2 3.35Å; L73-A77 HydrophobicContact CB-CB 4.25Å; L73-A77 HydrophobicContact CD2-CB 4.27Å; L73-A78 HydrophobicContact CB-CB 4.07Å; L73-Q81 HydrophobicContact CD1-CG 3.69Å
74	I	98.4	Very high	95.3	Very high	18 Å²	18	37.6 Å²	37.6	9%	0.092	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	140.2	177.6	-50.3	169.8	0	0	0	108.9	Y63 V64 R72 M146 K150	Y63-I74 WeakPolarHBondContact O-CA 3.49Å; V64-I74 HydrophobicContact CG2-CG2 4.4Å; R72-I74 HydrophobicContact CG-CG1 4.25Å; I74-M146 HydrophobicContact CD1-CB 3.96Å; I74-M146 WeakPolarHBondContact CD1-O 3.46Å; I74-K150 HydrophobicContact CB-CB 4.22Å; I74-K150 HydrophobicContact CB-CG 4.38Å; I74-K150 HydrophobicContact CD1-CB 4.48Å; I74-K150 HydrophobicContact CG2-CB 3.64Å; I74-K150 HydrophobicContact CG2-CG 4.04Å
75	G	98.3	Very high	95.2	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	-136	176.3	0	0	0	0	0	114.2	T60 P61 Y63 A77 A78 K79	T60-G75 VanDerWaalsContact CG2-CA 3.49Å; P61-G75 WeakPolarHBondContact O-CA 3.28Å; Y63-G75 PolarHBondContact O-N 3.28Å; G75-A77 VanDerWaalsContact C-N 3.3Å; G75-A77 PolarHBondContact O-N 2.73Å; G75-A78 PolarHBondContact O-N 3.47Å; G75-K79 PolarHBondContact O-N 2.91Å
76	D	97	Very high	95.2	Very high	24 Å²	24	39.7 Å²	39.7	13%	0.128	23%	0.228	C	C	.	.	H	α-helix	trans	-58.9	-41	-175.6	-69.2	-53.6	0	0	0	112	N53 N57 P61 A78 K79 N80	N53-D76 PolarHBondContact ND2-OD2 2.99Å; N57-D76 PolarHBondContact ND2-OD2 3.07Å; P61-D76 WeakPolarHBondContact CD-OD1 3.42Å; P61-D76 VanDerWaalsContact CG-OD1 3.26Å; P61-D76 WeakPolarHBondContact CG-OD1 3.37Å; D76-A78 PolarHBondContact O-N 2.73Å; D76-K79 PolarHBondContact O-N 3.08Å; D76-N80 WeakPolarHBondContact O-CB 2.86Å; D76-N80 PolarHBondContact O-N 2.97Å; D76-N80 PolarHBondContact O-ND2 3.4Å
77	A	95.8	Very high	95.2	Very high	38 Å²	38	44.9 Å²	44.9	31%	0.314	25%	0.252	S	S	.	.	H	α-helix	trans	-58.9	-47.1	176.9	0	0	0	0	0	112.1	L73 G75 N80 Q81	L73-A77 HydrophobicContact CB-CB 4.25Å; L73-A77 HydrophobicContact CD2-CB 4.27Å; G75-A77 VanDerWaalsContact C-N 3.3Å; G75-A77 PolarHBondContact O-N 2.73Å; A77-N80 PolarHBondContact O-N 3.47Å; A77-Q81 WeakPolarHBondContact O-CG 3.38Å; A77-Q81 PolarHBondContact O-N 3.14Å
78	A	98.1	Very high	95.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.6	-44.8	177.5	0	0	0	0	0	112	A65 L73 G75 D76 N80 Q81 L82	A65-A78 HydrophobicContact CB-CB 3.86Å; L73-A78 HydrophobicContact CB-CB 4.07Å; G75-A78 PolarHBondContact O-N 3.47Å; D76-A78 PolarHBondContact O-N 2.73Å; A78-N80 VanDerWaalsContact C-N 3.33Å; A78-N80 PolarHBondContact O-N 3.26Å; A78-Q81 PolarHBondContact O-N 2.92Å; A78-Q81 PolarHBondContact O-NE2 3.35Å; A78-L82 PolarHBondContact O-N 3.45Å
79	K	98.1	Very high	95.9	Very high	42 Å²	42	41.4 Å²	41.4	18%	0.183	23%	0.227	C	C	.	.	H	α-helix	trans	-62.2	-39	177.8	-176.5	167.5	179.5	161.9	0	112.1	Y37 P61 Y63 G75 D76 Q81 L82 E291	Y37-K79 PolarHBondContact OH-NZ 3.1Å; P61-K79 HydrophobicContact CB-CB 4.15Å; P61-K79 HydrophobicContact CB-CD 3.91Å; P61-K79 HydrophobicContact CG-CB 4.24Å; P61-K79 HydrophobicContact CG-CD 3.83Å; Y63-K79 HydrophobicContact CD1-CB 4.04Å; Y63-K79 HydrophobicContact CD1-CG 4.4Å; Y63-K79 HydrophobicContact CD2-CB 4.31Å; Y63-K79 HydrophobicContact CD2-CD 4.42Å; Y63-K79 HydrophobicContact CE1-CB 4.45Å; Y63-K79 HydrophobicContact CE1-CG 4.31Å; Y63-K79 HydrophobicContact CE2-CD 4.14Å; Y63-K79 HydrophobicContact CE2-CG 4.46Å; Y63-K79 HydrophobicContact CG-CB 3.98Å; G75-K79 PolarHBondContact O-N 2.91Å; D76-K79 PolarHBondContact O-N 3.08Å; K79-Q81 PolarHBondContact O-N 3Å; K79-L82 WeakPolarHBondContact O-CB 3.45Å; K79-L82 PolarHBondContact O-N 2.99Å; K79-E291 IonicContact NZ-OE1 3.32Å; K79-E291 IonicContact NZ-OE2 2.73Å; K79-E291 PolarHBondContact NZ-OE2 2.88Å
80	N	96.3	Very high	96.5	Very high	113 Å²	113	34.2 Å²	34.2	60%	0.604	19%	0.193	S	C	*	.	H	α-helix	trans	-64.3	-38.2	-178.5	-73.4	-22.2	0	0	0	112.9	D76 A77 A78	D76-N80 WeakPolarHBondContact O-CB 2.86Å; D76-N80 PolarHBondContact O-N 2.97Å; D76-N80 PolarHBondContact O-ND2 3.4Å; A77-N80 PolarHBondContact O-N 3.47Å; A78-N80 VanDerWaalsContact C-N 3.33Å; A78-N80 PolarHBondContact O-N 3.26Å
81	Q	96.4	Very high	97.1	Very high	32 Å²	32	32.9 Å²	32.9	15%	0.15	18%	0.179	C	C	.	.	H	α-helix	trans	-91.2	2.8	-179.2	64	80.3	71	0	0	115.1	L73 A77 A78 K79 T83 S84 N85 T89	L73-Q81 HydrophobicContact CD1-CG 3.69Å; A77-Q81 WeakPolarHBondContact O-CG 3.38Å; A77-Q81 PolarHBondContact O-N 3.14Å; A78-Q81 PolarHBondContact O-N 2.92Å; A78-Q81 PolarHBondContact O-NE2 3.35Å; K79-Q81 PolarHBondContact O-N 3Å; Q81-T83 PolarHBondContact O-N 2.89Å; Q81-T83 VanDerWaalsContact O-N 3.11Å; Q81-S84 PolarHBondContact O-N 3.5Å; Q81-S84 PolarHBondContact O-OG 3.45Å; Q81-N85 PolarHBondContact O-N 3.04Å; Q81-N85 PolarHBondContact OE1-ND2 3.11Å; Q81-T89 PolarHBondContact NE2-OG1 3.29Å
82	L	97.6	Very high	97.4	Very high	9 Å²	9	29.6 Å²	29.6	5%	0.047	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.3	-43.4	178.2	171.6	64.7	0	0	0	113.2	Y63 A78 K79 S84 N85 P86 T89 F91 Q284	Y63-L82 HydrophobicContact CE1-CD2 4.15Å; A78-L82 PolarHBondContact O-N 3.45Å; K79-L82 WeakPolarHBondContact O-CB 3.45Å; K79-L82 PolarHBondContact O-N 2.99Å; L82-S84 VanDerWaalsContact C-N 3.32Å; L82-S84 PolarHBondContact O-N 3.36Å; L82-N85 CarbonylContact O-C 3.54Å; L82-N85 PolarHBondContact O-N 3.33Å; L82-P86 VanDerWaalsContact O-CA 3.23Å; L82-P86 WeakPolarHBondContact O-CA 3.3Å; L82-P86 VanDerWaalsContact O-N 3.16Å; L82-T89 HydrophobicContact CB-CG2 4.08Å; L82-T89 HydrophobicContact CD1-CG2 3.66Å; L82-T89 HydrophobicContact CG-CG2 4.47Å; L82-F91 HydrophobicContact CD1-CD1 4.16Å; L82-F91 HydrophobicContact CD1-CE1 3.73Å; L82-Q284 HydrophobicContact CD1-CG 4.14Å; L82-Q284 HydrophobicContact CD2-CB 4.47Å; L82-Q284 HydrophobicContact CG-CB 4.21Å; L82-Q284 HydrophobicContact CG-CG 4.14Å
83	T	95.8	Very high	97.6	Very high	21 Å²	21	29.2 Å²	29.2	13%	0.129	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-21.6	-175.8	61.2	0	0	0	0	113.9	Q81 R281 Q284 K285	Q81-T83 PolarHBondContact O-N 2.89Å; Q81-T83 VanDerWaalsContact O-N 3.11Å; T83-R281 VanDerWaalsContact O-CG 3.23Å; T83-R281 WeakPolarHBondContact O-CG 3.46Å; T83-Q284 HydrophobicContact CG2-CB 4.16Å; T83-K285 HydrophobicContact CG2-CG 4.11Å
84	S	96.5	Very high	97.7	Very high	85 Å²	85	28.7 Å²	28.7	59%	0.594	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-26.7	174.9	41.5	0	0	0	0	112.5	Q81 L82	Q81-S84 PolarHBondContact O-N 3.5Å; Q81-S84 PolarHBondContact O-OG 3.45Å; L82-S84 VanDerWaalsContact C-N 3.32Å; L82-S84 PolarHBondContact O-N 3.36Å
85	N	97.6	Very high	97.6	Very high	29 Å²	29	28.1 Å²	28.1	16%	0.155	16%	0.158	C	C	.	.	S	Bend	trans	-134	60.7	-175.9	-174.4	19.7	0	0	0	112	F66 Q81 L82 E87 N88 T89	F66-N85 PolarHBondContact O-ND2 2.92Å; Q81-N85 PolarHBondContact O-N 3.04Å; Q81-N85 PolarHBondContact OE1-ND2 3.11Å; L82-N85 CarbonylContact O-C 3.54Å; L82-N85 PolarHBondContact O-N 3.33Å; N85-E87 VanDerWaalsContact C-N 3.33Å; N85-E87 PolarHBondContact O-N 3.33Å; N85-N88 WeakPolarHBondContact OD1-CB 3.42Å; N85-N88 PolarHBondContact OD1-ND2 3.25Å; N85-T89 WeakPolarHBondContact O-CB 3.33Å; N85-T89 PolarHBondContact O-N 2.99Å; N85-T89 PolarHBondContact O-OG1 2.94Å
86	P	97.8	Very high	97.6	Very high	16 Å²	16	28.2 Å²	28.2	10%	0.104	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-68.8	-28.6	-169	27.1	-36	0	0	0	113.9	L82 P114 N280 Q284	L82-P86 VanDerWaalsContact O-CA 3.23Å; L82-P86 WeakPolarHBondContact O-CA 3.3Å; L82-P86 VanDerWaalsContact O-N 3.16Å; P86-P114 HydrophobicContact CB-CB 4.09Å; P86-P114 WeakPolarHBondContact O-CB 3.2Å; P86-P114 WeakPolarHBondContact O-CG 3.31Å; P86-N280 HydrophobicContact CB-CB 4.09Å; P86-N280 HydrophobicContact CG-CB 3.77Å; P86-Q284 HydrophobicContact CB-CG 3.7Å
87	E	97.9	Very high	97.6	Very high	109 Å²	109	27.1 Å²	27.1	51%	0.509	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-82.4	-22.1	-174.2	-58.5	-171.3	174.3	0	0	113.2	N85 F115 N280	N85-E87 VanDerWaalsContact C-N 3.33Å; N85-E87 PolarHBondContact O-N 3.33Å; E87-F115 WeakPolarHBondContact O-CA 3.29Å; E87-F115 WeakPolarHBondContact O-CB 3.46Å; E87-N280 PolarHBondContact OE1-ND2 3.41Å
88	N	98.3	Very high	97.5	Very high	33 Å²	33	25.8 Å²	25.8	18%	0.176	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-111.8	16.4	177.9	-49.3	-58.2	0	0	0	112.7	A65 F66 N85 V128 D129	A65-N88 VanDerWaalsContact CA-O 3.25Å; A65-N88 WeakPolarHBondContact CA-O 3.31Å; F66-N88 PolarHBondContact N-O 3Å; F66-N88 VanDerWaalsContact N-O 3.1Å; N85-N88 WeakPolarHBondContact OD1-CB 3.42Å; N85-N88 PolarHBondContact OD1-ND2 3.25Å; N88-V128 HydrophobicContact CB-CB 4.45Å; N88-D129 PolarHBondContact OD1-N 3.44Å
89	T	98.7	Very high	97.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	108.5	172.5	-55.5	0	0	0	0	109.4	Y63 V64 A65 Q81 L82 N85 F115	Y63-T89 HydrophobicContact CD1-CG2 4Å; V64-T89 CarbonylContact O-C 3.49Å; A65-T89 HydrophobicContact CB-CG2 4.13Å; Q81-T89 PolarHBondContact NE2-OG1 3.29Å; L82-T89 HydrophobicContact CB-CG2 4.08Å; L82-T89 HydrophobicContact CD1-CG2 3.66Å; L82-T89 HydrophobicContact CG-CG2 4.47Å; N85-T89 WeakPolarHBondContact O-CB 3.33Å; N85-T89 PolarHBondContact O-N 2.99Å; N85-T89 PolarHBondContact O-OG1 2.94Å; T89-F115 WeakPolarHBondContact O-CD1 3.4Å
90	V	98.8	Very high	97	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	134.1	-177.1	-167.6	0	0	0	0	110.2	Y63 V64 F115 I126 V128 I143	Y63-V90 WeakPolarHBondContact CA-O 3.18Å; V64-V90 PolarHBondContact N-O 3.37Å; V64-V90 PolarHBondContact O-N 2.88Å; V90-F115 HydrophobicContact CG1-CD2 4.42Å; V90-F115 HydrophobicContact CG1-CE1 4.24Å; V90-F115 HydrophobicContact CG1-CE2 4.05Å; V90-F115 HydrophobicContact CG1-CZ 3.94Å; V90-I126 HydrophobicContact CG1-CG1 4.24Å; V90-I126 HydrophobicContact CG1-CG2 4.01Å; V90-I126 HydrophobicContact CG2-CG2 3.69Å; V90-V128 HydrophobicContact CG2-CG1 3.82Å; V90-I143 HydrophobicContact CB-CG2 4.31Å; V90-I143 HydrophobicContact CG1-CD1 4.48Å; V90-I143 HydrophobicContact CG1-CG1 4.28Å; V90-I143 HydrophobicContact CG1-CG2 3.85Å; V90-I143 HydrophobicContact CG2-CD1 4.38Å
91	F	98.7	Very high	96.9	Very high	1 Å²	1	23.7 Å²	23.7	0%	0.004	13%	0.131	C	C	.	.			trans	-149.8	173.5	175	56.9	-87.4	0	0	0	109	Y63 L82 A93 L113 P114 F115	Y63-F91 HydrophobicContact CD1-CB 3.64Å; Y63-F91 HydrophobicContact CD1-CD1 4.14Å; Y63-F91 HydrophobicContact CD1-CG 4.18Å; Y63-F91 HydrophobicContact CD2-CB 4.05Å; Y63-F91 HydrophobicContact CE1-CB 3.4Å; Y63-F91 VanDerWaalsContact CE1-CB 3.4Å; Y63-F91 AromaticContact CE1-CD1 3.6Å; Y63-F91 HydrophobicContact CE1-CD1 3.6Å; Y63-F91 HydrophobicContact CE1-CD2 4.4Å; Y63-F91 HydrophobicContact CE1-CE1 4.49Å; Y63-F91 AromaticContact CE1-CG 3.55Å; Y63-F91 HydrophobicContact CE1-CG 3.55Å; Y63-F91 HydrophobicContact CE2-CB 3.86Å; Y63-F91 HydrophobicContact CG-CB 3.94Å; Y63-F91 AromaticContact CZ-CG 3.78Å; L82-F91 HydrophobicContact CD1-CD1 4.16Å; L82-F91 HydrophobicContact CD1-CE1 3.73Å; F91-A93 PolarHBondContact O-N 3.45Å; F91-L113 HydrophobicContact CE2-CD2 4.19Å; F91-P114 HydrophobicContact CE1-CG 3.75Å; F91-P114 HydrophobicContact CZ-CG 3.93Å; F91-F115 HydrophobicContact CD1-CD1 4.49Å; F91-F115 AromaticContact CD1-CE1 3.99Å; F91-F115 HydrophobicContact CD1-CE1 3.99Å; F91-F115 HydrophobicContact CE1-CD1 4.31Å; F91-F115 AromaticContact CE1-CE1 4Å; F91-F115 HydrophobicContact CE1-CE1 4Å; F91-F115 HydrophobicContact CG-CE1 4.36Å; F91-F115 HydrophobicContact CZ-CE1 4.37Å; F91-F115 VanDerWaalsContact O-CZ 3.25Å; F91-F115 WeakPolarHBondContact O-CZ 3.34Å
92	D	98.3	Very high	96.8	Very high	9 Å²	9	25.4 Å²	25.4	5%	0.048	16%	0.158	C	C	.	.			trans	55.7	21.9	-176.6	-60.7	-22.7	0	0	0	114.4	T35 K94 R95	T35-D92 HydrophobicContact CG2-CB 4.37Å; D92-K94 PolarHBondContact O-N 3.28Å; D92-R95 WeakPolarHBondContact O-CB 3.42Å; D92-R95 PolarHBondContact O-N 3.46Å
93	A	98.3	Very high	96.5	Very high	9 Å²	9	26.8 Å²	26.8	7%	0.074	17%	0.165	C	C	.	.	H	α-helix	trans	-57.6	-29	-179.3	0	0	0	0	0	112.4	F91 R95 L96 I97 I143	F91-A93 PolarHBondContact O-N 3.45Å; A93-R95 PolarHBondContact O-N 2.95Å; A93-L96 PolarHBondContact O-N 3.48Å; A93-I97 PolarHBondContact O-N 2.83Å; A93-I143 HydrophobicContact CB-CB 4.16Å; A93-I143 HydrophobicContact CB-CG2 3.71Å
94	K	98.4	Very high	96.4	Very high	14 Å²	14	30.5 Å²	30.5	6%	0.061	19%	0.192	C	C	.	.	H	α-helix	trans	-62.5	-21.4	173.9	-164.1	174.9	-175.1	-175.6	0	113.5	L33 T35 D92 L96 I97 F174 E199	L33-K94 VanDerWaalsContact O-CD 3.23Å; L33-K94 WeakPolarHBondContact O-CD 3.44Å; L33-K94 WeakPolarHBondContact O-CE 3.42Å; L33-K94 PolarHBondContact O-NZ 2.84Å; T35-K94 HydrophobicContact CG2-CB 4.44Å; D92-K94 PolarHBondContact O-N 3.28Å; K94-L96 VanDerWaalsContact C-N 3.34Å; K94-I97 HydrophobicContact CG-CG2 4.42Å; K94-I97 WeakPolarHBondContact O-CG2 3.5Å; K94-F174 HydrophobicContact CG-CZ 3.99Å; K94-E199 IonicContact NZ-OE1 3.7Å; K94-E199 PolarHBondContact NZ-OE1 2.87Å
95	R	97.9	Very high	96.3	Very high	7 Å²	7	26.9 Å²	26.9	3%	0.026	17%	0.166	C	C	.	.	H	α-helix	trans	-78.1	-18.7	171.2	-73.5	-167.6	157.5	-165.8	-2.4	113.1	T35 D92 A93 R99 G226 H250 D255	T35-R95 HydrophobicContact CG2-CG 4.2Å; D92-R95 WeakPolarHBondContact O-CB 3.42Å; D92-R95 PolarHBondContact O-N 3.46Å; A93-R95 PolarHBondContact O-N 2.95Å; R95-R99 WeakPolarHBondContact O-CD 3.32Å; R95-R99 PolarHBondContact O-NE 2.91Å; R95-G226 PolarHBondContact NE-O 2.95Å; R95-G226 PolarHBondContact NH2-O 3.41Å; R95-H250 PolarHBondContact NH1-CE1 3.36Å; R95-H250 VanDerWaalsContact NH1-CE1 3.34Å; R95-D255 IonicContact CZ-OD1 2.93Å; R95-D255 IonicContact CZ-OD2 3.08Å; R95-D255 IonicContact NH1-OD1 2.77Å; R95-D255 PolarHBondContact NH1-OD1 3.25Å; R95-D255 IonicContact NH1-OD2 2.74Å; R95-D255 IonicContact NH2-OD1 2.82Å; R95-D255 PolarHBondContact NH2-OD1 3.25Å; R95-D255 IonicContact NH2-OD2 2.76Å; R95-D255 PolarHBondContact NH2-OD2 2.75Å
96	L	98.1	Very high	96.3	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-99.8	-26.6	179.2	-57.3	178.5	0	0	0	113.1	A93 K94 G98 R99 V106 L113 V117 P124 I126 P140	A93-L96 PolarHBondContact O-N 3.48Å; K94-L96 VanDerWaalsContact C-N 3.34Å; L96-G98 PolarHBondContact O-N 3.18Å; L96-R99 PolarHBondContact O-N 3.32Å; L96-V106 HydrophobicContact CD2-CG1 4.27Å; L96-V106 HydrophobicContact CD2-CG2 4.32Å; L96-L113 HydrophobicContact CD1-CD1 4.29Å; L96-V117 HydrophobicContact CD1-CG1 4.5Å; L96-V117 HydrophobicContact CD1-CG2 4.22Å; L96-P124 HydrophobicContact CB-CG 4.41Å; L96-I126 HydrophobicContact CD1-CD1 4.26Å; L96-I126 HydrophobicContact CD1-CG1 4.25Å; L96-P140 HydrophobicContact CB-CB 4.25Å; L96-P140 HydrophobicContact CB-CG 3.89Å
97	I	96.8	Very high	96.3	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	134.3	-175.2	-159.4	171.2	0	0	0	111.8	A93 K94 R99 P140 E141 F174 Q178 A181	A93-I97 PolarHBondContact O-N 2.83Å; K94-I97 HydrophobicContact CG-CG2 4.42Å; K94-I97 WeakPolarHBondContact O-CG2 3.5Å; I97-R99 PolarHBondContact O-N 3.5Å; I97-R99 VanDerWaalsContact O-N 3.08Å; I97-P140 HydrophobicContact CB-CB 4.09Å; I97-P140 HydrophobicContact CG1-CB 4.31Å; I97-E141 HydrophobicContact CG1-CG 4.32Å; I97-F174 HydrophobicContact CG2-CE2 4.22Å; I97-F174 HydrophobicContact CG2-CZ 4.13Å; I97-Q178 WeakPolarHBondContact O-CG 3.39Å; I97-A181 HydrophobicContact CD1-CB 4.24Å; I97-A181 HydrophobicContact CG1-CB 3.67Å
98	G	93.1	Very high	96.2	Very high	11 Å²	11	27 Å²	27	11%	0.113	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	3.5	179	0	0	0	0	0	116.3	L96 A177	L96-G98 PolarHBondContact O-N 3.18Å; G98-A177 WeakPolarHBondContact O-CB 3.39Å
99	R	93.8	Very high	96.2	Very high	28 Å²	28	26.2 Å²	26.2	11%	0.106	16%	0.161	C	C	.	.			trans	-91.3	155.6	178.8	-62	-168.2	-176.6	-85.4	-2.8	112.6	R95 L96 I97 D103 S105 V106 P124 T249	R95-R99 WeakPolarHBondContact O-CD 3.32Å; R95-R99 PolarHBondContact O-NE 2.91Å; L96-R99 PolarHBondContact O-N 3.32Å; I97-R99 PolarHBondContact O-N 3.5Å; I97-R99 VanDerWaalsContact O-N 3.08Å; R99-D103 IonicContact CZ-OD2 3.72Å; R99-D103 IonicContact NH1-OD2 3.33Å; R99-D103 PolarHBondContact NH1-OD2 3.24Å; R99-S105 WeakPolarHBondContact CD-OG 3.38Å; R99-S105 PolarHBondContact NH1-OG 2.84Å; R99-V106 HydrophobicContact CB-CG2 3.6Å; R99-V106 HydrophobicContact CG-CG2 4.24Å; R99-P124 WeakPolarHBondContact O-CD 3.24Å; R99-T249 PolarHBondContact NH2-O 3.45Å; R99-T249 PolarHBondContact NH2-OG1 3.18Å
100	A	92	Very high	96.1	Very high	31 Å²	31	28.4 Å²	28.4	26%	0.256	17%	0.172	S	C	.	.			trans	-86.6	153.4	169.8	0	0	0	0	0	110.7	G102 D103	A100-G102 VanDerWaalsContact C-N 3.25Å; A100-G102 PolarHBondContact O-N 3.29Å; A100-D103 VanDerWaalsContact O-CB 3.25Å; A100-D103 WeakPolarHBondContact O-CB 3.39Å; A100-D103 PolarHBondContact O-N 2.84Å; A100-D103 VanDerWaalsContact O-N 3.1Å
101	W	94.9	Very high	96	Very high	51 Å²	51	35.7 Å²	35.7	19%	0.193	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-39.6	177.4	176.3	-109.2	0	0	0	112.3	D103 V106 Q107 I110 V117 E119 S122 P124	W101-D103 PolarHBondContact O-N 3.13Å; W101-V106 HydrophobicContact CE3-CG1 4.5Å; W101-Q107 PolarHBondContact O-NE2 2.9Å; W101-I110 HydrophobicContact CH2-CD1 3.99Å; W101-I110 HydrophobicContact CZ2-CD1 4.41Å; W101-I110 HydrophobicContact CZ3-CD1 4.48Å; W101-V117 HydrophobicContact CZ3-CG1 3.93Å; W101-E119 HydrophobicContact CB-CB 4.48Å; W101-E119 HydrophobicContact CB-CG 3.91Å; W101-E119 VanDerWaalsContact CD1-OE1 3.29Å; W101-E119 HydrophobicContact CD2-CB 3.63Å; W101-E119 HydrophobicContact CD2-CG 4.02Å; W101-E119 HydrophobicContact CE3-CB 4.1Å; W101-E119 HydrophobicContact CG-CB 3.79Å; W101-E119 HydrophobicContact CG-CG 3.6Å; W101-E119 HydrophobicContact CZ2-CB 4.24Å; W101-E119 PolarHBondContact NE1-OE2 3.01Å; W101-S122 WeakPolarHBondContact CB-O 3.3Å; W101-S122 PolarHBondContact N-O 2.76Å; W101-P124 HydrophobicContact CE3-CB 4.13Å
102	G	92.9	Very high	95.8	Very high	68 Å²	68	39.7 Å²	39.7	70%	0.701	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-1.6	179.5	0	0	0	0	0	115.6	A100 S104	A100-G102 VanDerWaalsContact C-N 3.25Å; A100-G102 PolarHBondContact O-N 3.29Å; G102-S104 PolarHBondContact O-N 3.47Å
103	D	91.7	Very high	95.8	Very high	39 Å²	39	40.4 Å²	40.4	21%	0.209	22%	0.223	C	C	.	.			trans	-63.6	131.2	176.1	-173.5	-30.5	0	0	0	110.1	R99 A100 W101 S105 V106 Q107	R99-D103 IonicContact CZ-OD2 3.72Å; R99-D103 IonicContact NH1-OD2 3.33Å; R99-D103 PolarHBondContact NH1-OD2 3.24Å; A100-D103 VanDerWaalsContact O-CB 3.25Å; A100-D103 WeakPolarHBondContact O-CB 3.39Å; A100-D103 PolarHBondContact O-N 2.84Å; A100-D103 VanDerWaalsContact O-N 3.1Å; W101-D103 PolarHBondContact O-N 3.13Å; D103-S105 PolarHBondContact O-N 2.93Å; D103-S105 WeakPolarHBondContact OD1-CB 3.4Å; D103-S105 PolarHBondContact OD1-N 2.99Å; D103-S105 PolarHBondContact OD1-OG 2.92Å; D103-S105 PolarHBondContact OD2-OG 3.4Å; D103-V106 HydrophobicContact CB-CB 4.31Å; D103-V106 HydrophobicContact CB-CG2 4Å; D103-V106 PolarHBondContact O-N 3.27Å; D103-Q107 WeakPolarHBondContact O-CG 3.25Å; D103-Q107 PolarHBondContact O-N 3.47Å
104	S	94.7	Very high	95.8	Very high	98 Å²	98	40.5 Å²	40.5	69%	0.685	22%	0.223	S	C	*	.	H	α-helix	trans	-60.2	-32.4	179.9	51.1	0	0	0	0	113.2	G102 Q108	G102-S104 PolarHBondContact O-N 3.47Å; S104-Q108 WeakPolarHBondContact O-CB 3.36Å; S104-Q108 PolarHBondContact O-N 3.26Å
105	S	94.4	Very high	95.8	Very high	9 Å²	9	40.1 Å²	40.1	6%	0.063	22%	0.221	C	C	.	.	H	α-helix	trans	-65.3	-46.9	176	59	0	0	0	0	111	R99 D103 Q107 Q108 D109	R99-S105 WeakPolarHBondContact CD-OG 3.38Å; R99-S105 PolarHBondContact NH1-OG 2.84Å; D103-S105 PolarHBondContact O-N 2.93Å; D103-S105 WeakPolarHBondContact OD1-CB 3.4Å; D103-S105 PolarHBondContact OD1-N 2.99Å; D103-S105 PolarHBondContact OD1-OG 2.92Å; D103-S105 PolarHBondContact OD2-OG 3.4Å; S105-Q107 PolarHBondContact O-N 2.8Å; S105-Q108 WeakPolarHBondContact O-CB 3.39Å; S105-Q108 PolarHBondContact O-N 3.01Å; S105-Q108 VanDerWaalsContact O-N 3.11Å; S105-D109 PolarHBondContact O-N 3.32Å
106	V	96.8	Very high	95.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-58.4	-49.1	174.5	175	0	0	0	0	110.6	L96 R99 W101 D103 Q108 D109 I110 P124	L96-V106 HydrophobicContact CD2-CG1 4.27Å; L96-V106 HydrophobicContact CD2-CG2 4.32Å; R99-V106 HydrophobicContact CB-CG2 3.6Å; R99-V106 HydrophobicContact CG-CG2 4.24Å; W101-V106 HydrophobicContact CE3-CG1 4.5Å; D103-V106 HydrophobicContact CB-CB 4.31Å; D103-V106 HydrophobicContact CB-CG2 4Å; D103-V106 PolarHBondContact O-N 3.27Å; V106-Q108 PolarHBondContact O-N 3.38Å; V106-D109 PolarHBondContact O-N 3.47Å; V106-I110 HydrophobicContact CG1-CG2 4.21Å; V106-I110 WeakPolarHBondContact O-CG1 3.24Å; V106-I110 WeakPolarHBondContact O-CG2 3.36Å; V106-I110 PolarHBondContact O-N 2.97Å; V106-P124 HydrophobicContact CG1-CB 4.02Å; V106-P124 HydrophobicContact CG1-CG 4.27Å; V106-P124 HydrophobicContact CG2-CG 4.43Å
107	Q	97.9	Very high	95.8	Very high	63 Å²	63	46.3 Å²	46.3	29%	0.294	25%	0.249	S	C	.	.	H	α-helix	trans	-64.1	-22.5	179.8	-67.1	-59.9	-52	0	0	113.6	W101 D103 S105 K111	W101-Q107 PolarHBondContact O-NE2 2.9Å; D103-Q107 WeakPolarHBondContact O-CG 3.25Å; D103-Q107 PolarHBondContact O-N 3.47Å; S105-Q107 PolarHBondContact O-N 2.8Å; Q107-K111 WeakPolarHBondContact O-CE 3.33Å
108	Q	96.7	Very high	95.9	Very high	95 Å²	95	48.2 Å²	48.2	44%	0.444	26%	0.259	S	S	.	.	H	α-helix	trans	-80.1	-47.5	172.6	-179.7	169.9	-32.3	0	0	111	S104 S105 V106 K111 Y112	S104-Q108 WeakPolarHBondContact O-CB 3.36Å; S104-Q108 PolarHBondContact O-N 3.26Å; S105-Q108 WeakPolarHBondContact O-CB 3.39Å; S105-Q108 PolarHBondContact O-N 3.01Å; S105-Q108 VanDerWaalsContact O-N 3.11Å; V106-Q108 PolarHBondContact O-N 3.38Å; Q108-K111 WeakPolarHBondContact O-CB 3.42Å; Q108-K111 PolarHBondContact O-N 2.95Å; Q108-Y112 HydrophobicContact CG-CE2 4.01Å; Q108-Y112 VanDerWaalsContact O-CD2 3.32Å; Q108-Y112 WeakPolarHBondContact O-CD2 3.37Å; Q108-Y112 WeakPolarHBondContact O-CE2 3.13Å
109	D	97.1	Very high	96.1	Very high	16 Å²	16	52.7 Å²	52.7	9%	0.086	28%	0.277	C	S	.	.	H	α-helix	trans	-63	-43.5	-177.2	-78.1	-16.6	0	0	0	113.3	S105 V106 K111 Y112 L113 H250	S105-D109 PolarHBondContact O-N 3.32Å; V106-D109 PolarHBondContact O-N 3.47Å; D109-K111 PolarHBondContact O-N 3.15Å; D109-Y112 PolarHBondContact O-N 3.17Å; D109-L113 HydrophobicContact CB-CD1 4.3Å; D109-L113 WeakPolarHBondContact O-CG 3.41Å; D109-L113 PolarHBondContact O-N 3.04Å; D109-L113 VanDerWaalsContact O-N 3.14Å; D109-H250 IonicContact OD1-CE1 2.83Å; D109-H250 PolarHBondContact OD1-CE1 2.9Å; D109-H250 IonicContact OD1-NE2 3.56Å; D109-H250 IonicContact OD2-CE1 3.55Å; D109-H250 PolarHBondContact OD2-CE1 3.44Å; D109-H250 IonicContact OD2-ND1 2.76Å
110	I	96.8	Very high	96.1	Very high	46 Å²	46	56 Å²	56	24%	0.236	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-12.9	-178.5	64.7	177	0	0	0	113.8	W101 V106 V117	W101-I110 HydrophobicContact CH2-CD1 3.99Å; W101-I110 HydrophobicContact CZ2-CD1 4.41Å; W101-I110 HydrophobicContact CZ3-CD1 4.48Å; V106-I110 HydrophobicContact CG1-CG2 4.21Å; V106-I110 WeakPolarHBondContact O-CG1 3.24Å; V106-I110 WeakPolarHBondContact O-CG2 3.36Å; V106-I110 PolarHBondContact O-N 2.97Å; I110-V117 HydrophobicContact CG2-CB 3.66Å; I110-V117 HydrophobicContact CG2-CG1 3.94Å; I110-V117 HydrophobicContact CG2-CG2 3.93Å
111	K	96.1	Very high	95.9	Very high	152 Å²	152	61 Å²	61	66%	0.661	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-18.2	174.4	-62.4	170.6	-178.6	159.7	0	113	Q107 Q108 D109	Q107-K111 WeakPolarHBondContact O-CE 3.33Å; Q108-K111 WeakPolarHBondContact O-CB 3.42Å; Q108-K111 PolarHBondContact O-N 2.95Å; D109-K111 PolarHBondContact O-N 3.15Å
112	Y	95.4	Very high	95.6	Very high	86 Å²	86	61.2 Å²	61.2	34%	0.337	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-14.5	-174	-53.5	-59.4	0	0	0	113.1	Q108 D109 Q258	Q108-Y112 HydrophobicContact CG-CE2 4.01Å; Q108-Y112 VanDerWaalsContact O-CD2 3.32Å; Q108-Y112 WeakPolarHBondContact O-CD2 3.37Å; Q108-Y112 WeakPolarHBondContact O-CE2 3.13Å; D109-Y112 PolarHBondContact O-N 3.17Å; Y112-Q258 HydrophobicContact CD1-CG 4.45Å; Y112-Q258 HydrophobicContact CD2-CG 4.43Å; Y112-Q258 HydrophobicContact CG-CG 4.37Å
113	L	97.8	Very high	95.6	Very high	23 Å²	23	58.9 Å²	58.9	12%	0.12	29%	0.288	C	S	.	.			trans	-76.5	133.8	175.2	-63.9	172.3	0	0	0	110.6	F91 L96 D109 F115 V117	F91-L113 HydrophobicContact CE2-CD2 4.19Å; L96-L113 HydrophobicContact CD1-CD1 4.29Å; D109-L113 HydrophobicContact CB-CD1 4.3Å; D109-L113 WeakPolarHBondContact O-CG 3.41Å; D109-L113 PolarHBondContact O-N 3.04Å; D109-L113 VanDerWaalsContact O-N 3.14Å; L113-F115 HydrophobicContact CB-CE1 4.2Å; L113-F115 HydrophobicContact CB-CE2 4.2Å; L113-F115 HydrophobicContact CB-CZ 4.03Å; L113-F115 HydrophobicContact CD1-CE2 3.83Å; L113-F115 HydrophobicContact CD1-CZ 3.75Å; L113-F115 HydrophobicContact CD2-CE1 3.86Å; L113-F115 HydrophobicContact CD2-CE2 4.5Å; L113-F115 HydrophobicContact CD2-CZ 3.64Å; L113-F115 HydrophobicContact CG-CE1 4.43Å; L113-F115 HydrophobicContact CG-CE2 4.38Å; L113-F115 HydrophobicContact CG-CZ 3.99Å; L113-V117 HydrophobicContact CD1-CG2 4.15Å
114	P	97.8	Very high	95.9	Very high	11 Å²	11	57.1 Å²	57.1	7%	0.071	28%	0.279	C	S	.	.	S	Bend	trans	-78.8	-23.7	-179.6	31.1	-34.9	0	0	0	113.3	P86 F91 Q284	P86-P114 HydrophobicContact CB-CB 4.09Å; P86-P114 WeakPolarHBondContact O-CB 3.2Å; P86-P114 WeakPolarHBondContact O-CG 3.31Å; F91-P114 HydrophobicContact CE1-CG 3.75Å; F91-P114 HydrophobicContact CZ-CG 3.93Å; P114-Q284 HydrophobicContact CB-CG 4.5Å; P114-Q284 HydrophobicContact CG-CG 4.49Å
115	F	98.3	Very high	96	Very high	6 Å²	6	53.1 Å²	53.1	3%	0.026	25%	0.25	C	C	.	.	S	Bend	trans	-87.8	153.7	176.5	53.5	-94.5	0	0	0	111	E87 T89 V90 F91 L113 V117 I126	E87-F115 WeakPolarHBondContact O-CA 3.29Å; E87-F115 WeakPolarHBondContact O-CB 3.46Å; T89-F115 WeakPolarHBondContact O-CD1 3.4Å; V90-F115 HydrophobicContact CG1-CD2 4.42Å; V90-F115 HydrophobicContact CG1-CE1 4.24Å; V90-F115 HydrophobicContact CG1-CE2 4.05Å; V90-F115 HydrophobicContact CG1-CZ 3.94Å; F91-F115 HydrophobicContact CD1-CD1 4.49Å; F91-F115 AromaticContact CD1-CE1 3.99Å; F91-F115 HydrophobicContact CD1-CE1 3.99Å; F91-F115 HydrophobicContact CE1-CD1 4.31Å; F91-F115 AromaticContact CE1-CE1 4Å; F91-F115 HydrophobicContact CE1-CE1 4Å; F91-F115 HydrophobicContact CG-CE1 4.36Å; F91-F115 HydrophobicContact CZ-CE1 4.37Å; F91-F115 VanDerWaalsContact O-CZ 3.25Å; F91-F115 WeakPolarHBondContact O-CZ 3.34Å; L113-F115 HydrophobicContact CB-CE1 4.2Å; L113-F115 HydrophobicContact CB-CE2 4.2Å; L113-F115 HydrophobicContact CB-CZ 4.03Å; L113-F115 HydrophobicContact CD1-CE2 3.83Å; L113-F115 HydrophobicContact CD1-CZ 3.75Å; L113-F115 HydrophobicContact CD2-CE1 3.86Å; L113-F115 HydrophobicContact CD2-CE2 4.5Å; L113-F115 HydrophobicContact CD2-CZ 3.64Å; L113-F115 HydrophobicContact CG-CE1 4.43Å; L113-F115 HydrophobicContact CG-CE2 4.38Å; L113-F115 HydrophobicContact CG-CZ 3.99Å; F115-V117 HydrophobicContact CD2-CG2 4.04Å; F115-V117 HydrophobicContact CE2-CG2 3.9Å; F115-I126 HydrophobicContact CD2-CG1 4.49Å; F115-I126 HydrophobicContact CD2-CG2 3.74Å; F115-I126 HydrophobicContact CE2-CG1 4.19Å; F115-I126 HydrophobicContact CE2-CG2 4.22Å; F115-I126 HydrophobicContact CG-CG2 4.48Å
116	K	98.3	Very high	96.2	Very high	120 Å²	120	52.7 Å²	52.7	52%	0.522	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	128.5	-174.8	-170.8	177.5	175.4	-169.3	0	111	I118 Q127	K116-I118 HydrophobicContact CD-CG2 4.22Å; K116-I118 HydrophobicContact CG-CG2 4.01Å; K116-Q127 HydrophobicContact CB-CB 4.38Å; K116-Q127 HydrophobicContact CD-CB 4.49Å; K116-Q127 PolarHBondContact O-N 3.34Å
117	V	98.6	Very high	96.3	Very high	18 Å²	18	54.8 Å²	54.8	11%	0.109	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	130	170.1	-170.1	0	0	0	0	108.6	L96 W101 I110 L113 F115 P124 H125	L96-V117 HydrophobicContact CD1-CG1 4.5Å; L96-V117 HydrophobicContact CD1-CG2 4.22Å; W101-V117 HydrophobicContact CZ3-CG1 3.93Å; I110-V117 HydrophobicContact CG2-CB 3.66Å; I110-V117 HydrophobicContact CG2-CG1 3.94Å; I110-V117 HydrophobicContact CG2-CG2 3.93Å; L113-V117 HydrophobicContact CD1-CG2 4.15Å; F115-V117 HydrophobicContact CD2-CG2 4.04Å; F115-V117 HydrophobicContact CE2-CG2 3.9Å; V117-P124 HydrophobicContact CG1-CB 3.63Å; V117-H125 CarbonylContact C-O 2.93Å; V117-H125 VanDerWaalsContact CA-O 3.29Å; V117-H125 WeakPolarHBondContact CA-O 3.33Å; V117-H125 WeakPolarHBondContact CG1-O 3.37Å
118	I	98.2	Very high	96.3	Very high	41 Å²	41	51.9 Å²	51.9	21%	0.21	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	156.7	-179	63	167.5	0	0	0	111.5	K116 P124 H125 Q127 T137	K116-I118 HydrophobicContact CD-CG2 4.22Å; K116-I118 HydrophobicContact CG-CG2 4.01Å; I118-P124 CarbonylContact O-C 3.53Å; I118-H125 HydrophobicContact CG1-CB 4.31Å; I118-H125 PolarHBondContact N-O 3.16Å; I118-H125 PolarHBondContact O-N 3.28Å; I118-Q127 HydrophobicContact CD1-CB 4.46Å; I118-Q127 HydrophobicContact CG1-CB 4.48Å; I118-Q127 HydrophobicContact CG2-CB 4.49Å; I118-T137 HydrophobicContact CD1-CG2 3.82Å; I118-T137 HydrophobicContact CG1-CG2 4.19Å
119	E	97.3	Very high	96.3	Very high	106 Å²	106	49.7 Å²	49.7	50%	0.495	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	128.8	170.8	-172.1	172.6	-159.5	0	0	110.8	W101 K123	W101-E119 HydrophobicContact CB-CB 4.48Å; W101-E119 HydrophobicContact CB-CG 3.91Å; W101-E119 VanDerWaalsContact CD1-OE1 3.29Å; W101-E119 HydrophobicContact CD2-CB 3.63Å; W101-E119 HydrophobicContact CD2-CG 4.02Å; W101-E119 HydrophobicContact CE3-CB 4.1Å; W101-E119 HydrophobicContact CG-CB 3.79Å; W101-E119 HydrophobicContact CG-CG 3.6Å; W101-E119 HydrophobicContact CZ2-CB 4.24Å; W101-E119 PolarHBondContact NE1-OE2 3.01Å; E119-K123 WeakPolarHBondContact CA-O 3.28Å
120	K	93.8	Very high	96.2	Very high	96 Å²	96	50.1 Å²	50.1	42%	0.417	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	121	168	-176.8	-179.4	176.8	-171.9	0	108.5	S122 K123 H125 T137	K120-S122 VanDerWaalsContact C-N 3.33Å; K120-S122 PolarHBondContact O-N 3.08Å; K120-K123 PolarHBondContact N-O 3.18Å; K120-K123 PolarHBondContact O-N 2.82Å; K120-K123 VanDerWaalsContact O-N 3.09Å; K120-H125 HydrophobicContact CB-CB 4.48Å; K120-T137 HydrophobicContact CD-CG2 4.42Å
121	K	87.9	Confident	95.9	Very high	136 Å²	136	48.2 Å²	48.2	59%	0.591	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.8	51	-174.6	-58.9	-179.1	179.6	179	0	112.2	K123 D535	K121-K123 PolarHBondContact O-N 3.41Å; K121-D535 IonicContact NZ-OD2 3.53Å
122	S	89.6	Confident	95.3	Very high	57 Å²	57	44.6 Å²	44.6	40%	0.399	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	14.3	180	-49.7	0	0	0	0	115.8	W101 K120	W101-S122 WeakPolarHBondContact CB-O 3.3Å; W101-S122 PolarHBondContact N-O 2.76Å; K120-S122 VanDerWaalsContact C-N 3.33Å; K120-S122 PolarHBondContact O-N 3.08Å
123	K	92.8	Very high	94.8	Very high	18 Å²	18	43.3 Å²	43.3	8%	0.078	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	150	176.6	-72.6	-167.7	175.2	-168	0	112.3	E119 K120 K121 E141 N529	E119-K123 WeakPolarHBondContact CA-O 3.28Å; K120-K123 PolarHBondContact N-O 3.18Å; K120-K123 PolarHBondContact O-N 2.82Å; K120-K123 VanDerWaalsContact O-N 3.09Å; K121-K123 PolarHBondContact O-N 3.41Å; K123-E141 IonicContact NZ-OE1 2.66Å; K123-E141 PolarHBondContact NZ-OE1 3.49Å; K123-N529 WeakPolarHBondContact CE-O 3.21Å; K123-N529 PolarHBondContact NZ-O 3.34Å
124	P	97.2	Very high	94.5	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.013	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	132.6	166.2	31.1	-32.2	0	0	0	110.1	L96 R99 W101 V106 V117 I118 P140	L96-P124 HydrophobicContact CB-CG 4.41Å; R99-P124 WeakPolarHBondContact O-CD 3.24Å; W101-P124 HydrophobicContact CE3-CB 4.13Å; V106-P124 HydrophobicContact CG1-CB 4.02Å; V106-P124 HydrophobicContact CG1-CG 4.27Å; V106-P124 HydrophobicContact CG2-CG 4.43Å; V117-P124 HydrophobicContact CG1-CB 3.63Å; I118-P124 CarbonylContact O-C 3.53Å; P124-P140 VanDerWaalsContact O-CD 3.32Å; P124-P140 WeakPolarHBondContact O-CD 3.31Å
125	H	98.3	Very high	94.5	Very high	15 Å²	15	52.5 Å²	52.5	7%	0.069	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	146.8	167.5	-75.7	57.9	0	0	0	109.5	V117 I118 K120 T137 F138	V117-H125 CarbonylContact C-O 2.93Å; V117-H125 VanDerWaalsContact CA-O 3.29Å; V117-H125 WeakPolarHBondContact CA-O 3.33Å; V117-H125 WeakPolarHBondContact CG1-O 3.37Å; I118-H125 HydrophobicContact CG1-CB 4.31Å; I118-H125 PolarHBondContact N-O 3.16Å; I118-H125 PolarHBondContact O-N 3.28Å; K120-H125 HydrophobicContact CB-CB 4.48Å; H125-T137 HydrophobicContact CB-CG2 3.48Å; H125-T137 VanDerWaalsContact CB-CG2 3.48Å; H125-F138 CarbonylContact C-O 3.53Å; H125-F138 VanDerWaalsContact CA-O 3.32Å; H125-F138 WeakPolarHBondContact CA-O 3.47Å; H125-F138 WeakPolarHBondContact CB-O 3.47Å
126	I	98.7	Very high	94.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	125.5	-179.3	-57.9	88.7	0	0	0	108.6	V90 L96 F115 V128 T137 F138 P140 I143	V90-I126 HydrophobicContact CG1-CG1 4.24Å; V90-I126 HydrophobicContact CG1-CG2 4.01Å; V90-I126 HydrophobicContact CG2-CG2 3.69Å; L96-I126 HydrophobicContact CD1-CD1 4.26Å; L96-I126 HydrophobicContact CD1-CG1 4.25Å; F115-I126 HydrophobicContact CD2-CG1 4.49Å; F115-I126 HydrophobicContact CD2-CG2 3.74Å; F115-I126 HydrophobicContact CE2-CG1 4.19Å; F115-I126 HydrophobicContact CE2-CG2 4.22Å; F115-I126 HydrophobicContact CG-CG2 4.48Å; I126-V128 HydrophobicContact CG2-CG1 4.03Å; I126-T137 CarbonylContact O-C 3.48Å; I126-T137 WeakPolarHBondContact O-CA 3.23Å; I126-F138 PolarHBondContact N-O 3.3Å; I126-F138 PolarHBondContact O-N 3.39Å; I126-P140 HydrophobicContact CD1-CB 4.24Å; I126-P140 HydrophobicContact CD1-CG 3.85Å; I126-I143 HydrophobicContact CD1-CG1 4.13Å
127	Q	98.4	Very high	94.4	Very high	44 Å²	44	49.8 Å²	49.8	21%	0.206	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	122.2	177.9	179.6	169.9	91.5	0	0	109.9	K116 I118 I135 K136 T137	K116-Q127 HydrophobicContact CB-CB 4.38Å; K116-Q127 HydrophobicContact CD-CB 4.49Å; K116-Q127 PolarHBondContact O-N 3.34Å; I118-Q127 HydrophobicContact CD1-CB 4.46Å; I118-Q127 HydrophobicContact CG1-CB 4.48Å; I118-Q127 HydrophobicContact CG2-CB 4.49Å; Q127-I135 HydrophobicContact CG-CG2 3.36Å; Q127-K136 WeakPolarHBondContact CA-O 3.18Å; Q127-T137 PolarHBondContact NE2-OG1 2.83Å
128	V	97.9	Very high	94.4	Very high	2 Å²	2	49 Å²	49	1%	0.012	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	154.2	-177.8	-67	0	0	0	0	110.6	F66 N88 V90 I126 I130 I135 K136 F138	F66-V128 HydrophobicContact CD2-CB 4.41Å; F66-V128 HydrophobicContact CD2-CG2 3.72Å; F66-V128 HydrophobicContact CE2-CG2 3.87Å; N88-V128 HydrophobicContact CB-CB 4.45Å; V90-V128 HydrophobicContact CG2-CG1 3.82Å; I126-V128 HydrophobicContact CG2-CG1 4.03Å; V128-I130 HydrophobicContact CG2-CG2 3.97Å; V128-I135 WeakPolarHBondContact O-CA 3.11Å; V128-K136 PolarHBondContact N-O 3.15Å; V128-K136 PolarHBondContact O-N 3.3Å; V128-F138 HydrophobicContact CG2-CD2 3.8Å; V128-F138 HydrophobicContact CG2-CE2 3.63Å
129	D	97.1	Very high	94.3	Very high	49 Å²	49	47 Å²	47	26%	0.262	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	123.4	164.3	-166.9	-25.1	0	0	0	108.6	F66 N88 G131 I135	F66-D129 WeakPolarHBondContact CB-O 3.35Å; N88-D129 PolarHBondContact OD1-N 3.44Å; D129-G131 PolarHBondContact OD1-N 3.49Å; D129-I135 HydrophobicContact CB-CD1 3.79Å
130	I	94.4	Very high	94.4	Very high	24 Å²	24	42 Å²	42	12%	0.123	24%	0.243	C	C	.	.			trans	-100.6	19.8	179.6	64	162.1	0	0	0	112.6	F66 G70 V128 Q134 K136 F138	F66-I130 HydrophobicContact CB-CB 4.47Å; F66-I130 HydrophobicContact CB-CG2 4.35Å; F66-I130 HydrophobicContact CD1-CB 4.05Å; F66-I130 HydrophobicContact CD1-CG2 3.72Å; F66-I130 HydrophobicContact CD2-CG2 4.18Å; F66-I130 HydrophobicContact CE1-CG2 3.99Å; F66-I130 HydrophobicContact CE2-CG2 4.43Å; F66-I130 HydrophobicContact CG-CB 4.32Å; F66-I130 HydrophobicContact CG-CG2 3.82Å; F66-I130 HydrophobicContact CZ-CG2 4.34Å; G70-I130 WeakPolarHBondContact CA-O 3.28Å; V128-I130 HydrophobicContact CG2-CG2 3.97Å; I130-Q134 HydrophobicContact CD1-CB 4.46Å; I130-Q134 HydrophobicContact CG1-CB 3.91Å; I130-Q134 WeakPolarHBondContact CG1-O 3.29Å; I130-Q134 PolarHBondContact N-O 2.65Å; I130-K136 HydrophobicContact CD1-CB 4.01Å; I130-K136 HydrophobicContact CD1-CD 3.93Å; I130-K136 HydrophobicContact CG1-CB 4.15Å; I130-K136 HydrophobicContact CG2-CB 3.76Å; I130-F138 HydrophobicContact CG2-CE2 3.82Å; I130-F138 HydrophobicContact CG2-CZ 4.1Å
131	G	89.9	Confident	94.6	Very high	6 Å²	6	37.6 Å²	37.6	6%	0.062	22%	0.224	C	C	.	.	S	Bend	trans	95.9	157.9	-179.4	0	0	0	0	0	113.1	S68 D129 G133 Q134	S68-G131 WeakPolarHBondContact O-CA 3.31Å; D129-G131 PolarHBondContact OD1-N 3.49Å; G131-G133 PolarHBondContact O-N 3.18Å; G131-G133 VanDerWaalsContact O-N 3.1Å; G131-Q134 WeakPolarHBondContact O-CB 3.26Å; G131-Q134 PolarHBondContact O-N 2.88Å
132	G	83.7	Confident	95.1	Very high	76 Å²	76	31.9 Å²	31.9	78%	0.784	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.1	19.6	-178.2	0	0	0	0	0	114.5	Q134	G132-Q134 VanDerWaalsContact C-N 3.28Å; G132-Q134 PolarHBondContact O-N 3.41Å
133	G	84.6	Confident	95.6	Very high	59 Å²	59	29.4 Å²	29.4	61%	0.608	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.1	16.2	-175.2	0	0	0	0	0	114.2	G131	G131-G133 PolarHBondContact O-N 3.18Å; G131-G133 VanDerWaalsContact O-N 3.1Å
134	Q	92.7	Very high	95.8	Very high	128 Å²	128	28.8 Å²	28.8	60%	0.598	18%	0.18	S	C	*	.			trans	-87.1	111.4	-180	-63.2	-172.2	19.4	0	0	110.6	I130 G131 G132 K136	I130-Q134 HydrophobicContact CD1-CB 4.46Å; I130-Q134 HydrophobicContact CG1-CB 3.91Å; I130-Q134 WeakPolarHBondContact CG1-O 3.29Å; I130-Q134 PolarHBondContact N-O 2.65Å; G131-Q134 WeakPolarHBondContact O-CB 3.26Å; G131-Q134 PolarHBondContact O-N 2.88Å; G132-Q134 VanDerWaalsContact C-N 3.28Å; G132-Q134 PolarHBondContact O-N 3.41Å; Q134-K136 PolarHBondContact O-N 3.46Å
135	I	96.7	Very high	95.9	Very high	100 Å²	100	28.8 Å²	28.8	51%	0.513	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	117.2	173.2	-57.1	-57	0	0	0	109.7	Q127 V128 D129	Q127-I135 HydrophobicContact CG-CG2 3.36Å; V128-I135 WeakPolarHBondContact O-CA 3.11Å; D129-I135 HydrophobicContact CB-CD1 3.79Å
136	K	96.3	Very high	95.9	Very high	33 Å²	33	28.5 Å²	28.5	14%	0.143	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	149.4	173.7	-168.3	155.8	178.8	168.4	0	111.1	Q127 V128 I130 Q134 F138 D542 F546	Q127-K136 WeakPolarHBondContact CA-O 3.18Å; V128-K136 PolarHBondContact N-O 3.15Å; V128-K136 PolarHBondContact O-N 3.3Å; I130-K136 HydrophobicContact CD1-CB 4.01Å; I130-K136 HydrophobicContact CD1-CD 3.93Å; I130-K136 HydrophobicContact CG1-CB 4.15Å; I130-K136 HydrophobicContact CG2-CB 3.76Å; Q134-K136 PolarHBondContact O-N 3.46Å; K136-F138 HydrophobicContact CB-CD2 4.46Å; K136-F138 HydrophobicContact CB-CE2 3.84Å; K136-F138 HydrophobicContact CB-CZ 4.1Å; K136-F138 HydrophobicContact CD-CD1 4.5Å; K136-F138 HydrophobicContact CD-CE1 3.66Å; K136-F138 HydrophobicContact CD-CE2 4.05Å; K136-F138 HydrophobicContact CD-CZ 3.41Å; K136-F138 VanDerWaalsContact CD-CZ 3.41Å; K136-F138 VanDerWaalsContact CE-CE1 3.45Å; K136-F138 HydrophobicContact CG-CD1 4.43Å; K136-F138 HydrophobicContact CG-CD2 4.22Å; K136-F138 HydrophobicContact CG-CE1 3.99Å; K136-F138 HydrophobicContact CG-CE2 3.74Å; K136-F138 HydrophobicContact CG-CZ 3.64Å; K136-D542 VanDerWaalsContact NZ-CG 3.32Å; K136-D542 IonicContact NZ-OD1 2.75Å; K136-D542 IonicContact NZ-OD2 3.46Å; K136-D542 PolarHBondContact NZ-OD2 3.5Å; K136-F546 HydrophobicContact CD-CZ 4.45Å
137	T	97.9	Very high	95.9	Very high	36 Å²	36	28.8 Å²	28.8	22%	0.221	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	115.4	177.6	-61.5	0	0	0	0	108.4	I118 K120 H125 I126 Q127	I118-T137 HydrophobicContact CD1-CG2 3.82Å; I118-T137 HydrophobicContact CG1-CG2 4.19Å; K120-T137 HydrophobicContact CD-CG2 4.42Å; H125-T137 HydrophobicContact CB-CG2 3.48Å; H125-T137 VanDerWaalsContact CB-CG2 3.48Å; I126-T137 CarbonylContact O-C 3.48Å; I126-T137 WeakPolarHBondContact O-CA 3.23Å; Q127-T137 PolarHBondContact NE2-OG1 2.83Å
138	F	98.3	Very high	96	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	140.6	-177.7	-65.4	-78.4	0	0	0	111.2	F66 H125 I126 V128 I130 K136 E142 I143 M146 F546	F66-F138 HydrophobicContact CE1-CE2 4.41Å; F66-F138 HydrophobicContact CE1-CZ 4.17Å; F66-F138 HydrophobicContact CE2-CD2 4.45Å; F66-F138 AromaticContact CE2-CE2 3.78Å; F66-F138 HydrophobicContact CE2-CE2 3.78Å; F66-F138 HydrophobicContact CE2-CZ 4.26Å; F66-F138 AromaticContact CZ-CE2 3.64Å; F66-F138 HydrophobicContact CZ-CE2 3.64Å; F66-F138 AromaticContact CZ-CZ 3.63Å; F66-F138 HydrophobicContact CZ-CZ 3.63Å; H125-F138 CarbonylContact C-O 3.53Å; H125-F138 VanDerWaalsContact CA-O 3.32Å; H125-F138 WeakPolarHBondContact CA-O 3.47Å; H125-F138 WeakPolarHBondContact CB-O 3.47Å; I126-F138 PolarHBondContact N-O 3.3Å; I126-F138 PolarHBondContact O-N 3.39Å; V128-F138 HydrophobicContact CG2-CD2 3.8Å; V128-F138 HydrophobicContact CG2-CE2 3.63Å; I130-F138 HydrophobicContact CG2-CE2 3.82Å; I130-F138 HydrophobicContact CG2-CZ 4.1Å; K136-F138 HydrophobicContact CB-CD2 4.46Å; K136-F138 HydrophobicContact CB-CE2 3.84Å; K136-F138 HydrophobicContact CB-CZ 4.1Å; K136-F138 HydrophobicContact CD-CD1 4.5Å; K136-F138 HydrophobicContact CD-CE1 3.66Å; K136-F138 HydrophobicContact CD-CE2 4.05Å; K136-F138 HydrophobicContact CD-CZ 3.41Å; K136-F138 VanDerWaalsContact CD-CZ 3.41Å; K136-F138 VanDerWaalsContact CE-CE1 3.45Å; K136-F138 HydrophobicContact CG-CD1 4.43Å; K136-F138 HydrophobicContact CG-CD2 4.22Å; K136-F138 HydrophobicContact CG-CE1 3.99Å; K136-F138 HydrophobicContact CG-CE2 3.74Å; K136-F138 HydrophobicContact CG-CZ 3.64Å; F138-E142 WeakPolarHBondContact CA-OE2 3.31Å; F138-E142 HydrophobicContact CB-CB 4.3Å; F138-E142 HydrophobicContact CD1-CB 4.01Å; F138-I143 HydrophobicContact CB-CD1 3.87Å; F138-I143 HydrophobicContact CB-CG1 4.07Å; F138-I143 HydrophobicContact CD2-CD1 4.15Å; F138-I143 HydrophobicContact CG-CD1 4.03Å; F138-M146 HydrophobicContact CD1-CE 3.85Å; F138-M146 HydrophobicContact CE1-CE 3.55Å; F138-M146 HydrophobicContact CZ-CE 4.01Å; F138-F546 HydrophobicContact CE1-CE2 4.1Å; F138-F546 HydrophobicContact CE1-CZ 4.45Å; F138-F546 HydrophobicContact CZ-CE2 4.27Å; F138-F546 HydrophobicContact CZ-CZ 4.19Å
139	A	98.1	Very high	96	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	18%	0.175	C	C	.	.			trans	-69.7	150.6	162.2	0	0	0	0	0	109.8	E141 E142 I143 M539	A139-E141 WeakPolarHBondContact CB-OE2 3.33Å; A139-E141 PolarHBondContact O-N 3.5Å; A139-E141 VanDerWaalsContact O-N 3.16Å; A139-E142 HydrophobicContact CB-CG 4.38Å; A139-E142 PolarHBondContact N-OE2 2.7Å; A139-E142 WeakPolarHBondContact O-CB 3.32Å; A139-E142 PolarHBondContact O-N 2.93Å; A139-I143 PolarHBondContact O-N 3.35Å; A139-M539 HydrophobicContact CB-CE 3.9Å
140	P	98.3	Very high	96	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.013	17%	0.169	C	C	.	.	H	α-helix	trans	-54.4	-30.9	173.3	-26.6	34.4	0	0	0	113.9	L96 I97 P124 I126 I143 S144	L96-P140 HydrophobicContact CB-CB 4.25Å; L96-P140 HydrophobicContact CB-CG 3.89Å; I97-P140 HydrophobicContact CB-CB 4.09Å; I97-P140 HydrophobicContact CG1-CB 4.31Å; P124-P140 VanDerWaalsContact O-CD 3.32Å; P124-P140 WeakPolarHBondContact O-CD 3.31Å; I126-P140 HydrophobicContact CD1-CB 4.24Å; I126-P140 HydrophobicContact CD1-CG 3.85Å; P140-I143 PolarHBondContact O-N 3.35Å; P140-S144 WeakPolarHBondContact O-CB 3.42Å; P140-S144 PolarHBondContact O-N 2.91Å; P140-S144 PolarHBondContact O-OG 3.37Å
141	E	98.3	Very high	96.2	Very high	3 Å²	3	25.4 Å²	25.4	1%	0.014	16%	0.163	C	C	.	.	H	α-helix	trans	-59.9	-42.1	174.1	-63.1	90	150.2	0	0	111.5	I97 K123 A139 S144 A145 A181 A185 I188 L531	I97-E141 HydrophobicContact CG1-CG 4.32Å; K123-E141 IonicContact NZ-OE1 2.66Å; K123-E141 PolarHBondContact NZ-OE1 3.49Å; A139-E141 WeakPolarHBondContact CB-OE2 3.33Å; A139-E141 PolarHBondContact O-N 3.5Å; A139-E141 VanDerWaalsContact O-N 3.16Å; E141-S144 PolarHBondContact O-N 3.28Å; E141-A145 VanDerWaalsContact O-CB 3.31Å; E141-A145 WeakPolarHBondContact O-CB 3.43Å; E141-A145 PolarHBondContact O-N 3.27Å; E141-A181 HydrophobicContact CG-CB 3.78Å; E141-A181 WeakPolarHBondContact CG-O 3.43Å; E141-A185 HydrophobicContact CB-CB 4.46Å; E141-A185 VanDerWaalsContact O-CB 3.31Å; E141-A185 WeakPolarHBondContact O-CB 3.29Å; E141-I188 HydrophobicContact CB-CD1 4.09Å; E141-L531 HydrophobicContact CB-CD1 3.9Å; E141-L531 HydrophobicContact CG-CD1 3.88Å
142	E	98.6	Very high	96.6	Very high	16 Å²	16	26.3 Å²	26.3	8%	0.075	17%	0.165	C	C	.	.	H	α-helix	trans	-67	-43.3	177.5	-64.8	173.5	89	0	0	111.3	F138 A139 S144 A145 M146 I188 M539	F138-E142 WeakPolarHBondContact CA-OE2 3.31Å; F138-E142 HydrophobicContact CB-CB 4.3Å; F138-E142 HydrophobicContact CD1-CB 4.01Å; A139-E142 HydrophobicContact CB-CG 4.38Å; A139-E142 PolarHBondContact N-OE2 2.7Å; A139-E142 WeakPolarHBondContact O-CB 3.32Å; A139-E142 PolarHBondContact O-N 2.93Å; E142-S144 VanDerWaalsContact C-N 3.34Å; E142-S144 PolarHBondContact O-N 2.95Å; E142-A145 WeakPolarHBondContact O-CB 3.24Å; E142-A145 PolarHBondContact O-N 2.97Å; E142-M146 WeakPolarHBondContact O-CG 3.21Å; E142-M146 PolarHBondContact O-N 3.48Å; E142-M146 VanDerWaalsContact O-N 3.11Å; E142-I188 HydrophobicContact CG-CD1 4.49Å; E142-M539 HydrophobicContact CG-CB 4.19Å; E142-M539 HydrophobicContact CG-CE 3.99Å; E142-M539 HydrophobicContact CG-CG 3.72Å; E142-M539 HydrophobicContact CG-SD 3.57Å; E142-M539 VanDerWaalsContact CG-SD 3.57Å; E142-M539 WeakPolarHBondContact OE2-CE 3.36Å
143	I	98.7	Very high	97.3	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.021	14%	0.142	C	C	.	.	H	α-helix	trans	-63.2	-43.2	177.1	-59.7	-60.9	0	0	0	110.9	V64 V90 A93 I126 F138 A139 P140 A145 M146 V147	V64-I143 HydrophobicContact CB-CG2 4.35Å; V64-I143 HydrophobicContact CG2-CG2 4Å; V90-I143 HydrophobicContact CB-CG2 4.31Å; V90-I143 HydrophobicContact CG1-CD1 4.48Å; V90-I143 HydrophobicContact CG1-CG1 4.28Å; V90-I143 HydrophobicContact CG1-CG2 3.85Å; V90-I143 HydrophobicContact CG2-CD1 4.38Å; A93-I143 HydrophobicContact CB-CB 4.16Å; A93-I143 HydrophobicContact CB-CG2 3.71Å; I126-I143 HydrophobicContact CD1-CG1 4.13Å; F138-I143 HydrophobicContact CB-CD1 3.87Å; F138-I143 HydrophobicContact CB-CG1 4.07Å; F138-I143 HydrophobicContact CD2-CD1 4.15Å; F138-I143 HydrophobicContact CG-CD1 4.03Å; A139-I143 PolarHBondContact O-N 3.35Å; P140-I143 PolarHBondContact O-N 3.35Å; I143-A145 VanDerWaalsContact C-N 3.31Å; I143-A145 PolarHBondContact O-N 3.16Å; I143-M146 HydrophobicContact CD1-CE 4.38Å; I143-M146 HydrophobicContact CD1-SD 4.34Å; I143-M146 WeakPolarHBondContact O-CB 3.34Å; I143-M146 PolarHBondContact O-N 3.25Å; I143-V147 PolarHBondContact O-N 3.32Å
144	S	98.7	Very high	97.9	Very high	6 Å²	6	23.4 Å²	23.4	4%	0.042	12%	0.116	C	C	.	.	H	α-helix	trans	-67	-34.9	177.8	-56.2	0	0	0	0	111.6	P140 E141 E142 M146 V147 L148	P140-S144 WeakPolarHBondContact O-CB 3.42Å; P140-S144 PolarHBondContact O-N 2.91Å; P140-S144 PolarHBondContact O-OG 3.37Å; E141-S144 PolarHBondContact O-N 3.28Å; E142-S144 VanDerWaalsContact C-N 3.34Å; E142-S144 PolarHBondContact O-N 2.95Å; S144-M146 VanDerWaalsContact C-N 3.3Å; S144-M146 PolarHBondContact O-N 2.99Å; S144-V147 PolarHBondContact O-N 3.21Å; S144-L148 WeakPolarHBondContact O-CG 3.35Å; S144-L148 PolarHBondContact O-N 3.32Å
145	A	98.8	Very high	98.2	Very high	2 Å²	2	17.3 Å²	17.3	2%	0.017	9%	0.088	C	C	.	.	H	α-helix	trans	-61.7	-37.2	173.4	0	0	0	0	0	112.2	E141 E142 I143 V147 L148 T149 A185 I188 A189	E141-A145 VanDerWaalsContact O-CB 3.31Å; E141-A145 WeakPolarHBondContact O-CB 3.43Å; E141-A145 PolarHBondContact O-N 3.27Å; E142-A145 WeakPolarHBondContact O-CB 3.24Å; E142-A145 PolarHBondContact O-N 2.97Å; I143-A145 VanDerWaalsContact C-N 3.31Å; I143-A145 PolarHBondContact O-N 3.16Å; A145-V147 VanDerWaalsContact C-N 3.34Å; A145-V147 PolarHBondContact O-N 3.27Å; A145-L148 PolarHBondContact O-N 3.33Å; A145-T149 WeakPolarHBondContact O-CB 3.31Å; A145-T149 PolarHBondContact O-N 2.94Å; A145-T149 PolarHBondContact O-OG1 3.35Å; A145-A185 HydrophobicContact CB-CB 4.44Å; A145-A185 WeakPolarHBondContact CB-O 3.24Å; A145-I188 HydrophobicContact CB-CB 3.67Å; A145-I188 HydrophobicContact CB-CG2 3.54Å; A145-A189 HydrophobicContact CB-CB 4.24Å; A145-A189 WeakPolarHBondContact O-CB 3.41Å
146	M	98.7	Very high	98.2	Very high	9 Å²	9	14.7 Å²	14.7	4%	0.044	7%	0.074	C	C	.	.	H	α-helix	trans	-61.6	-43.4	174.8	-60.6	174.3	-165.4	0	0	111.2	V64 F66 I74 F138 E142 I143 S144 T149 K150	V64-M146 HydrophobicContact CG1-SD 3.6Å; V64-M146 VanDerWaalsContact CG1-SD 3.6Å; V64-M146 HydrophobicContact CG2-CB 3.91Å; V64-M146 HydrophobicContact CG2-SD 4.46Å; F66-M146 HydrophobicContact CZ-CE 4Å; F66-M146 HydrophobicContact CZ-SD 3.9Å; I74-M146 HydrophobicContact CD1-CB 3.96Å; I74-M146 WeakPolarHBondContact CD1-O 3.46Å; F138-M146 HydrophobicContact CD1-CE 3.85Å; F138-M146 HydrophobicContact CE1-CE 3.55Å; F138-M146 HydrophobicContact CZ-CE 4.01Å; E142-M146 WeakPolarHBondContact O-CG 3.21Å; E142-M146 PolarHBondContact O-N 3.48Å; E142-M146 VanDerWaalsContact O-N 3.11Å; I143-M146 HydrophobicContact CD1-CE 4.38Å; I143-M146 HydrophobicContact CD1-SD 4.34Å; I143-M146 WeakPolarHBondContact O-CB 3.34Å; I143-M146 PolarHBondContact O-N 3.25Å; S144-M146 VanDerWaalsContact C-N 3.3Å; S144-M146 PolarHBondContact O-N 2.99Å; M146-T149 WeakPolarHBondContact O-CB 3.45Å; M146-T149 PolarHBondContact O-N 2.94Å; M146-K150 PolarHBondContact O-N 3.5Å
147	V	98.8	Very high	98.2	Very high	5 Å²	5	16.9 Å²	16.9	3%	0.03	10%	0.098	C	C	.	.	H	α-helix	trans	-62.8	-43.9	174.9	-179.4	0	0	0	0	111.1	L33 S38 V64 I143 S144 A145 T149 K150 M151	L33-V147 HydrophobicContact CD1-CB 4.17Å; L33-V147 HydrophobicContact CD1-CG1 3.88Å; S38-V147 WeakPolarHBondContact OG-CG1 3.11Å; V64-V147 HydrophobicContact CG2-CG2 3.97Å; I143-V147 PolarHBondContact O-N 3.32Å; S144-V147 PolarHBondContact O-N 3.21Å; A145-V147 VanDerWaalsContact C-N 3.34Å; A145-V147 PolarHBondContact O-N 3.27Å; V147-T149 VanDerWaalsContact C-N 3.33Å; V147-T149 PolarHBondContact O-N 3.24Å; V147-K150 PolarHBondContact O-N 2.91Å; V147-M151 WeakPolarHBondContact O-CG 3.44Å; V147-M151 PolarHBondContact O-N 3.27Å
148	L	98.8	Very high	98.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62.4	-38.2	175.6	-69.7	175	0	0	0	112.4	I31 L33 S144 A145 M151 K152 V168 A185 A189	I31-L148 HydrophobicContact CB-CD2 4.41Å; I31-L148 HydrophobicContact CD1-CD2 4.06Å; I31-L148 HydrophobicContact CG2-CD2 3.75Å; L33-L148 HydrophobicContact CB-CD2 4.17Å; L33-L148 HydrophobicContact CD1-CD2 4.05Å; L33-L148 HydrophobicContact CD1-CG 4.2Å; L33-L148 HydrophobicContact CD2-CD1 4.24Å; L33-L148 HydrophobicContact CD2-CD2 4.14Å; L33-L148 HydrophobicContact CD2-CG 4.2Å; L33-L148 HydrophobicContact CG-CD2 4.34Å; S144-L148 WeakPolarHBondContact O-CG 3.35Å; S144-L148 PolarHBondContact O-N 3.32Å; A145-L148 PolarHBondContact O-N 3.33Å; L148-M151 PolarHBondContact O-N 3.33Å; L148-K152 WeakPolarHBondContact O-CB 3.24Å; L148-K152 PolarHBondContact O-N 3.49Å; L148-V168 HydrophobicContact CD2-CG1 4.23Å; L148-V168 HydrophobicContact CD2-CG2 4.47Å; L148-A185 HydrophobicContact CD1-CB 4.1Å; L148-A189 HydrophobicContact CB-CB 3.76Å
149	T	98.4	Very high	98	Very high	17 Å²	17	22 Å²	22	10%	0.104	12%	0.116	C	C	.	.	H	α-helix	trans	-60	-45.4	173.1	-65	0	0	0	0	110.6	A145 M146 V147 M151 K152 E153	A145-T149 WeakPolarHBondContact O-CB 3.31Å; A145-T149 PolarHBondContact O-N 2.94Å; A145-T149 PolarHBondContact O-OG1 3.35Å; M146-T149 WeakPolarHBondContact O-CB 3.45Å; M146-T149 PolarHBondContact O-N 2.94Å; V147-T149 VanDerWaalsContact C-N 3.33Å; V147-T149 PolarHBondContact O-N 3.24Å; T149-M151 VanDerWaalsContact C-N 3.28Å; T149-M151 PolarHBondContact O-N 2.94Å; T149-K152 WeakPolarHBondContact O-CB 3.3Å; T149-K152 PolarHBondContact O-N 3.15Å; T149-E153 HydrophobicContact CG2-CG 4.35Å; T149-E153 WeakPolarHBondContact CG2-OE1 3.41Å; T149-E153 WeakPolarHBondContact O-CG 3.3Å; T149-E153 PolarHBondContact O-N 3.37Å
150	K	98.3	Very high	97.9	Very high	31 Å²	31	25.5 Å²	25.5	14%	0.135	15%	0.152	C	C	.	.	H	α-helix	trans	-61.5	-36.5	175.9	-176.5	60	177.4	-178.1	0	112.6	D54 T60 I74 M146 V147 T154	D54-K150 IonicContact OD1-NZ 2.84Å; D54-K150 IonicContact OD2-NZ 3.95Å; D54-K150 PolarHBondContact OD2-NZ 2.92Å; T60-K150 HydrophobicContact CG2-CG 4.43Å; I74-K150 HydrophobicContact CB-CB 4.22Å; I74-K150 HydrophobicContact CB-CG 4.38Å; I74-K150 HydrophobicContact CD1-CB 4.48Å; I74-K150 HydrophobicContact CG2-CB 3.64Å; I74-K150 HydrophobicContact CG2-CG 4.04Å; M146-K150 PolarHBondContact O-N 3.5Å; V147-K150 PolarHBondContact O-N 2.91Å; K150-T154 WeakPolarHBondContact O-CB 3.27Å; K150-T154 PolarHBondContact O-N 3.22Å; K150-T154 PolarHBondContact O-OG1 3.32Å
151	M	98.7	Very high	97.7	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-69	-40.6	176.4	-65.4	-55.9	91.4	0	0	111.6	I31 V40 T60 V147 L148 T149 T154 A155	I31-M151 HydrophobicContact CD1-CB 4.11Å; I31-M151 HydrophobicContact CG1-CB 4.35Å; I31-M151 HydrophobicContact CG2-CB 4.05Å; I31-M151 HydrophobicContact CG2-CG 3.94Å; V40-M151 HydrophobicContact CB-CB 4.21Å; V40-M151 HydrophobicContact CB-SD 4.35Å; V40-M151 HydrophobicContact CG1-CB 4.48Å; V40-M151 HydrophobicContact CG1-SD 4.22Å; T60-M151 HydrophobicContact CG2-CE 3.67Å; T60-M151 WeakPolarHBondContact OG1-CE 3.34Å; V147-M151 WeakPolarHBondContact O-CG 3.44Å; V147-M151 PolarHBondContact O-N 3.27Å; L148-M151 PolarHBondContact O-N 3.33Å; T149-M151 VanDerWaalsContact C-N 3.28Å; T149-M151 PolarHBondContact O-N 2.94Å; M151-T154 WeakPolarHBondContact O-CB 3.17Å; M151-T154 PolarHBondContact O-N 2.97Å; M151-A155 PolarHBondContact O-N 2.93Å
152	K	98.4	Very high	97.6	Very high	25 Å²	25	37.8 Å²	37.8	11%	0.109	21%	0.205	C	C	.	.	H	α-helix	trans	-60.8	-50.7	172	169.9	-177.5	166.6	174	0	111.4	L148 T149 T154 A155 E156 V163 A189 G190 L191	L148-K152 WeakPolarHBondContact O-CB 3.24Å; L148-K152 PolarHBondContact O-N 3.49Å; T149-K152 WeakPolarHBondContact O-CB 3.3Å; T149-K152 PolarHBondContact O-N 3.15Å; K152-T154 VanDerWaalsContact C-N 3.27Å; K152-T154 PolarHBondContact O-N 3.43Å; K152-A155 CarbonylContact O-C 3.54Å; K152-A155 PolarHBondContact O-N 3.48Å; K152-E156 WeakPolarHBondContact CE-OE1 3.45Å; K152-E156 HydrophobicContact CG-CG 4.22Å; K152-E156 WeakPolarHBondContact O-CG 3.33Å; K152-E156 PolarHBondContact O-N 3.48Å; K152-V163 WeakPolarHBondContact CE-O 3.38Å; K152-V163 HydrophobicContact CG-CB 4.48Å; K152-A189 PolarHBondContact NZ-O 2.65Å; K152-G190 PolarHBondContact NZ-O 2.93Å; K152-G190 VanDerWaalsContact NZ-O 3.14Å; K152-L191 HydrophobicContact CB-CD2 4.39Å; K152-L191 HydrophobicContact CD-CD2 3.81Å; K152-L191 HydrophobicContact CD-CG 4.15Å; K152-L191 HydrophobicContact CG-CD2 4.21Å
153	E	96.8	Very high	97.5	Very high	63 Å²	63	37.1 Å²	37.1	29%	0.294	20%	0.202	S	C	.	.	H	α-helix	trans	-57.8	-40.4	177.5	-73.8	169.9	-179.7	0	0	112	T149 A155 E156 A157	T149-E153 HydrophobicContact CG2-CG 4.35Å; T149-E153 WeakPolarHBondContact CG2-OE1 3.41Å; T149-E153 WeakPolarHBondContact O-CG 3.3Å; T149-E153 PolarHBondContact O-N 3.37Å; E153-A155 VanDerWaalsContact C-N 3.34Å; E153-A155 PolarHBondContact O-N 3.26Å; E153-E156 PolarHBondContact O-N 2.93Å; E153-A157 VanDerWaalsContact O-CB 3.32Å; E153-A157 WeakPolarHBondContact O-CB 3.48Å; E153-A157 PolarHBondContact O-N 3.16Å
154	T	98.2	Very high	97.4	Very high	11 Å²	11	39.6 Å²	39.6	7%	0.067	22%	0.218	C	C	.	.	H	α-helix	trans	-60.1	-45.4	175.2	-62.2	0	0	0	0	111	V40 I51 A52 N53 K150 M151 K152 Y158	V40-T154 HydrophobicContact CG1-CG2 4.03Å; I51-T154 HydrophobicContact CB-CG2 4.44Å; I51-T154 HydrophobicContact CG2-CG2 3.82Å; A52-T154 WeakPolarHBondContact O-CG2 3.43Å; N53-T154 HydrophobicContact CB-CG2 4.27Å; K150-T154 WeakPolarHBondContact O-CB 3.27Å; K150-T154 PolarHBondContact O-N 3.22Å; K150-T154 PolarHBondContact O-OG1 3.32Å; M151-T154 WeakPolarHBondContact O-CB 3.17Å; M151-T154 PolarHBondContact O-N 2.97Å; K152-T154 VanDerWaalsContact C-N 3.27Å; K152-T154 PolarHBondContact O-N 3.43Å; T154-Y158 PolarHBondContact O-N 2.93Å
155	A	98.2	Very high	97.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-68.7	-39.4	176	0	0	0	0	0	112.9	I29 V40 I51 M151 K152 E153 Y158 L159	I29-A155 HydrophobicContact CD1-CB 4.02Å; I29-A155 HydrophobicContact CG2-CB 3.88Å; V40-A155 HydrophobicContact CG2-CB 4.19Å; I51-A155 HydrophobicContact CD1-CB 3.89Å; M151-A155 PolarHBondContact O-N 2.93Å; K152-A155 CarbonylContact O-C 3.54Å; K152-A155 PolarHBondContact O-N 3.48Å; E153-A155 VanDerWaalsContact C-N 3.34Å; E153-A155 PolarHBondContact O-N 3.26Å; A155-Y158 PolarHBondContact O-N 3.41Å; A155-L159 VanDerWaalsContact O-CB 3.29Å; A155-L159 WeakPolarHBondContact O-CB 3.36Å; A155-L159 WeakPolarHBondContact O-CG 3.33Å; A155-L159 PolarHBondContact O-N 3.03Å
156	E	97.3	Very high	97.4	Very high	45 Å²	45	40.6 Å²	40.6	21%	0.21	22%	0.221	C	C	.	.	H	α-helix	trans	-63.9	-41.4	177.5	-71.8	-178.7	155.6	0	0	111.6	K152 E153 Y158 L159 G160 K161 K162 V163	K152-E156 WeakPolarHBondContact CE-OE1 3.45Å; K152-E156 HydrophobicContact CG-CG 4.22Å; K152-E156 WeakPolarHBondContact O-CG 3.33Å; K152-E156 PolarHBondContact O-N 3.48Å; E153-E156 PolarHBondContact O-N 2.93Å; E156-Y158 VanDerWaalsContact C-N 3.34Å; E156-Y158 PolarHBondContact O-N 3.17Å; E156-L159 PolarHBondContact O-N 3.27Å; E156-G160 WeakPolarHBondContact O-CA 3.48Å; E156-G160 PolarHBondContact O-N 2.94Å; E156-K161 WeakPolarHBondContact CA-O 3.26Å; E156-K161 WeakPolarHBondContact CG-O 3.35Å; E156-K161 PolarHBondContact O-N 3.4Å; E156-K162 WeakPolarHBondContact OE1-CA 3.22Å; E156-K162 VanDerWaalsContact OE1-CG 3.31Å; E156-K162 WeakPolarHBondContact OE1-CG 3.42Å; E156-V163 HydrophobicContact CG-CB 3.94Å; E156-V163 HydrophobicContact CG-CG2 3.85Å; E156-V163 PolarHBondContact OE1-N 3.21Å
157	A	95.8	Very high	97.4	Very high	79 Å²	79	40.2 Å²	40.2	65%	0.653	22%	0.219	S	C	*	.	H	α-helix	trans	-61.5	-41.8	174.4	0	0	0	0	0	111.8	E153	E153-A157 VanDerWaalsContact O-CB 3.32Å; E153-A157 WeakPolarHBondContact O-CB 3.48Å; E153-A157 PolarHBondContact O-N 3.16Å
158	Y	97	Very high	97.4	Very high	116 Å²	116	40 Å²	40	46%	0.455	22%	0.218	S	C	.	.	H	α-helix	trans	-68.5	-42.6	176.5	-179.6	-106.1	0	0	0	113.1	V42 E49 I51 T154 A155 E156	V42-Y158 HydrophobicContact CG1-CE1 4.32Å; E49-Y158 WeakPolarHBondContact OE2-CE1 3.13Å; E49-Y158 PolarHBondContact OE2-OH 2.89Å; I51-Y158 HydrophobicContact CD1-CD1 3.81Å; I51-Y158 HydrophobicContact CD1-CG 4.24Å; I51-Y158 HydrophobicContact CG1-CD1 4.02Å; I51-Y158 HydrophobicContact CG1-CE1 4.48Å; I51-Y158 HydrophobicContact CG1-CG 4.29Å; I51-Y158 HydrophobicContact CG2-CD1 4.33Å; I51-Y158 HydrophobicContact CG2-CD2 4.15Å; I51-Y158 HydrophobicContact CG2-CG 3.74Å; T154-Y158 PolarHBondContact O-N 2.93Å; A155-Y158 PolarHBondContact O-N 3.41Å; E156-Y158 VanDerWaalsContact C-N 3.34Å; E156-Y158 PolarHBondContact O-N 3.17Å
159	L	95.8	Very high	97.4	Very high	27 Å²	27	40 Å²	40	14%	0.141	22%	0.218	C	C	.	.	H	α-helix	trans	-83.5	-16.5	-174.6	-66.2	170.4	0	0	0	113.3	T27 I29 A155 E156 K161 V163	T27-L159 HydrophobicContact CG2-CD1 3.77Å; T27-L159 HydrophobicContact CG2-CD2 4.48Å; I29-L159 HydrophobicContact CG2-CD1 4.44Å; A155-L159 VanDerWaalsContact O-CB 3.29Å; A155-L159 WeakPolarHBondContact O-CB 3.36Å; A155-L159 WeakPolarHBondContact O-CG 3.33Å; A155-L159 PolarHBondContact O-N 3.03Å; E156-L159 PolarHBondContact O-N 3.27Å; L159-K161 HydrophobicContact CB-CG 3.98Å; L159-K161 PolarHBondContact O-N 2.82Å; L159-V163 HydrophobicContact CD1-CG2 3.73Å
160	G	95.5	Very high	97.4	Very high	74 Å²	74	39.1 Å²	39.1	76%	0.763	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.6	20.1	-175.5	0	0	0	0	0	113.8	E156	E156-G160 WeakPolarHBondContact O-CA 3.48Å; E156-G160 PolarHBondContact O-N 2.94Å
161	K	94.7	Very high	97.3	Very high	105 Å²	105	37.7 Å²	37.7	46%	0.457	21%	0.206	S	C	.	.	S	Bend	trans	-152.8	158	-177.3	65.4	-178.1	-178.3	177.5	0	111.4	T27 E156 L159	T27-K161 VanDerWaalsContact OG1-CE 3.26Å; T27-K161 WeakPolarHBondContact OG1-CE 3.41Å; T27-K161 PolarHBondContact OG1-NZ 2.82Å; E156-K161 WeakPolarHBondContact CA-O 3.26Å; E156-K161 WeakPolarHBondContact CG-O 3.35Å; E156-K161 PolarHBondContact O-N 3.4Å; L159-K161 HydrophobicContact CB-CG 3.98Å; L159-K161 PolarHBondContact O-N 2.82Å
162	K	94.8	Very high	97	Very high	158 Å²	158	37.6 Å²	37.6	69%	0.687	21%	0.206	S	C	*	.			trans	-64.5	140.5	178	-167.8	177.1	-177	175.4	0	111.8	E156 T164	E156-K162 WeakPolarHBondContact OE1-CA 3.22Å; E156-K162 VanDerWaalsContact OE1-CG 3.31Å; E156-K162 WeakPolarHBondContact OE1-CG 3.42Å; K162-T164 HydrophobicContact CD-CG2 4.37Å; K162-T164 HydrophobicContact CG-CG2 4.35Å
163	V	96.7	Very high	96.6	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.012	21%	0.209	C	C	.	.			trans	-115.2	129.6	175.5	177	0	0	0	0	109.2	I29 K152 E156 L159 L191	I29-V163 HydrophobicContact CB-CG1 4.48Å; I29-V163 HydrophobicContact CD1-CG1 3.8Å; I29-V163 HydrophobicContact CG1-CG1 3.82Å; I29-V163 HydrophobicContact CG2-CG1 3.95Å; I29-V163 HydrophobicContact CG2-CG2 4.36Å; K152-V163 WeakPolarHBondContact CE-O 3.38Å; K152-V163 HydrophobicContact CG-CB 4.48Å; E156-V163 HydrophobicContact CG-CB 3.94Å; E156-V163 HydrophobicContact CG-CG2 3.85Å; E156-V163 PolarHBondContact OE1-N 3.21Å; L159-V163 HydrophobicContact CD1-CG2 3.73Å; V163-L191 HydrophobicContact CG1-CD2 4.39Å
164	T	97.3	Very high	96.3	Very high	56 Å²	56	35.6 Å²	35.6	34%	0.344	20%	0.195	S	C	.	.			trans	-123.9	-10.7	-175.3	52.3	0	0	0	0	113.7	K162 L191 N192	K162-T164 HydrophobicContact CD-CG2 4.37Å; K162-T164 HydrophobicContact CG-CG2 4.35Å; T164-L191 CarbonylContact O-C 3.58Å; T164-L191 WeakPolarHBondContact O-CA 3.42Å; T164-N192 PolarHBondContact O-N 2.95Å
165	H	98.3	Very high	95.8	Very high	29 Å²	29	36 Å²	36	13%	0.134	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143	-176.1	-67.2	83.5	0	0	0	110.6	V25 V28 I29 N192 M194	V25-H165 PolarHBondContact O-ND1 3.17Å; V28-H165 HydrophobicContact CB-CB 4.38Å; V28-H165 HydrophobicContact CG1-CB 4.13Å; V28-H165 HydrophobicContact CG2-CB 3.85Å; I29-H165 PolarHBondContact N-O 3.21Å; H165-N192 WeakPolarHBondContact CA-O 3.49Å; H165-N192 VanDerWaalsContact CD2-CB 3.49Å; H165-N192 WeakPolarHBondContact CD2-CB 3.24Å; H165-N192 PolarHBondContact CD2-ND2 3Å; H165-N192 VanDerWaalsContact CD2-ND2 3.27Å; H165-N192 PolarHBondContact NE2-ND2 3.36Å; H165-M194 HydrophobicContact CB-CG 4.12Å; H165-M194 HydrophobicContact CB-SD 3.84Å
166	A	98.6	Very high	95.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	156.4	178.4	0	0	0	0	0	112.9	I29 I31 V168 L191 N192 V193 M194	I29-A166 HydrophobicContact CG1-CB 3.93Å; I29-A166 CarbonylContact O-C 3.51Å; I29-A166 VanDerWaalsContact O-CA 3.24Å; I29-A166 WeakPolarHBondContact O-CA 3.33Å; I31-A166 HydrophobicContact CD1-CB 4.19Å; A166-V168 HydrophobicContact CB-CG2 4.22Å; A166-L191 HydrophobicContact CB-CB 4.38Å; A166-L191 HydrophobicContact CB-CD1 4.02Å; A166-L191 HydrophobicContact CB-CD2 4.19Å; A166-L191 HydrophobicContact CB-CG 4.44Å; A166-N192 PolarHBondContact N-O 2.9Å; A166-V193 CarbonylContact O-C 3.55Å; A166-V193 WeakPolarHBondContact O-CA 3.42Å; A166-M194 PolarHBondContact O-N 3.14Å
167	V	98.7	Very high	94.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	128.1	157.1	175.8	0	0	0	0	107.1	V28 I29 I31 R195 I197 A396 Q399 A400 L403	V28-V167 HydrophobicContact CG1-CG2 4.38Å; I29-V167 PolarHBondContact O-N 2.83Å; I31-V167 PolarHBondContact N-O 3.31Å; V167-R195 WeakPolarHBondContact CA-O 3.49Å; V167-R195 HydrophobicContact CG1-CB 4.16Å; V167-R195 HydrophobicContact CG2-CB 4.04Å; V167-I197 HydrophobicContact CG1-CB 4.1Å; V167-I197 HydrophobicContact CG1-CG2 3.62Å; V167-A396 HydrophobicContact CG1-CB 4.26Å; V167-Q399 HydrophobicContact CG1-CB 4.42Å; V167-Q399 HydrophobicContact CG1-CG 4.3Å; V167-Q399 HydrophobicContact CG2-CG 4.33Å; V167-A400 HydrophobicContact CB-CB 4.27Å; V167-A400 HydrophobicContact CG2-CB 3.81Å; V167-L403 HydrophobicContact CG2-CD1 3.85Å
168	V	98.8	Very high	94.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	136.4	-177.3	-177.5	0	0	0	0	109.6	I31 L33 L148 A166 T182 V193 R195 I196 I197	I31-V168 WeakPolarHBondContact O-CA 3.32Å; L33-V168 HydrophobicContact CB-CG1 4.17Å; L148-V168 HydrophobicContact CD2-CG1 4.23Å; L148-V168 HydrophobicContact CD2-CG2 4.47Å; A166-V168 HydrophobicContact CB-CG2 4.22Å; V168-T182 HydrophobicContact CG1-CG2 3.95Å; V168-V193 HydrophobicContact CB-CG1 4.36Å; V168-V193 HydrophobicContact CG2-CG1 4.22Å; V168-V193 HydrophobicContact CG2-CG2 4.24Å; V168-R195 PolarHBondContact N-O 2.77Å; V168-R195 VanDerWaalsContact N-O 3.09Å; V168-I196 HydrophobicContact CB-CD1 4.19Å; V168-I196 WeakPolarHBondContact O-CA 2.98Å; V168-I197 PolarHBondContact O-N 3.12Å; V168-I197 VanDerWaalsContact O-N 3.09Å
169	T	98.6	Very high	94.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	152.8	-177.9	67.9	0	0	0	0	112.8	I31 D32 L33 I197 V392 A396	I31-T169 WeakPolarHBondContact O-CG2 3.41Å; I31-T169 PolarHBondContact O-N 2.91Å; D32-T169 VanDerWaalsContact CA-OG1 3.28Å; D32-T169 WeakPolarHBondContact CA-OG1 2.97Å; D32-T169 HydrophobicContact CB-CG2 4.45Å; D32-T169 PolarHBondContact OD1-OG1 2.8Å; L33-T169 PolarHBondContact N-OG1 3.43Å; T169-I197 CarbonylContact C-O 3.58Å; T169-I197 VanDerWaalsContact CA-O 3.26Å; T169-I197 WeakPolarHBondContact CA-O 3.46Å; T169-I197 HydrophobicContact CG2-CG2 3.72Å; T169-V392 HydrophobicContact CG2-CG1 3.41Å; T169-V392 VanDerWaalsContact CG2-CG1 3.41Å; T169-A396 HydrophobicContact CG2-CB 3.8Å
170	V	98.1	Very high	94.3	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	153.5	168.7	-65.8	0	0	0	0	110.4	A172 F174 R179 T182 I196 I197 N198 E199	V170-A172 PolarHBondContact O-N 3.41Å; V170-F174 HydrophobicContact CB-CB 4.36Å; V170-F174 HydrophobicContact CB-CD2 3.73Å; V170-F174 HydrophobicContact CB-CE2 4.38Å; V170-F174 HydrophobicContact CB-CG 4.25Å; V170-F174 HydrophobicContact CG1-CD2 3.88Å; V170-F174 HydrophobicContact CG1-CE2 4.31Å; V170-R179 HydrophobicContact CG2-CG 4.35Å; V170-T182 HydrophobicContact CG1-CG2 3.78Å; V170-I196 HydrophobicContact CB-CG2 4.16Å; V170-I196 HydrophobicContact CG1-CG2 3.75Å; V170-I196 HydrophobicContact CG2-CG2 3.32Å; V170-I197 PolarHBondContact N-O 3.18Å; V170-N198 CarbonylContact O-C 3.56Å; V170-N198 VanDerWaalsContact O-CA 3.32Å; V170-N198 WeakPolarHBondContact O-CA 3.4Å; V170-E199 VanDerWaalsContact C-OE1 3.27Å; V170-E199 WeakPolarHBondContact O-CG 3.25Å; V170-E199 PolarHBondContact O-N 3.33Å
171	P	97.2	Very high	94.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.113	C	C	.	.			trans	-53.8	140.4	170.1	-29.5	39.4	0	0	0	110.7	Y173 F174 E199 T227 D229	P171-Y173 PolarHBondContact O-N 3.44Å; P171-F174 HydrophobicContact CB-CD1 3.58Å; P171-F174 HydrophobicContact CB-CE1 4Å; P171-F174 HydrophobicContact CB-CG 4.15Å; P171-F174 HydrophobicContact CG-CD1 3.53Å; P171-F174 HydrophobicContact CG-CE1 3.43Å; P171-F174 VanDerWaalsContact CG-CE1 3.43Å; P171-F174 HydrophobicContact CG-CE2 4.49Å; P171-F174 HydrophobicContact CG-CG 4.15Å; P171-F174 HydrophobicContact CG-CZ 3.96Å; P171-F174 VanDerWaalsContact O-CB 3.31Å; P171-F174 WeakPolarHBondContact O-CB 3.49Å; P171-F174 PolarHBondContact O-N 2.82Å; P171-E199 WeakPolarHBondContact CD-OE1 3.38Å; P171-E199 VanDerWaalsContact N-OE1 3.13Å; P171-T227 HydrophobicContact CB-CG2 4.27Å; P171-T227 HydrophobicContact CG-CG2 3.71Å; P171-D229 WeakPolarHBondContact CA-OD2 3.37Å; P171-D229 WeakPolarHBondContact CB-OD2 3.45Å
172	A	91.5	Very high	94.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-36.9	-178.1	0	0	0	0	0	111.3	V170 F174 R179 N198 P200 D229 T245 P419	V170-A172 PolarHBondContact O-N 3.41Å; A172-F174 VanDerWaalsContact C-N 3.28Å; A172-F174 PolarHBondContact O-N 3.07Å; A172-R179 PolarHBondContact O-NH2 3.34Å; A172-N198 HydrophobicContact CB-CB 4.17Å; A172-P200 HydrophobicContact CB-CG 3.91Å; A172-D229 HydrophobicContact CB-CB 4.26Å; A172-D229 VanDerWaalsContact N-CG 3.32Å; A172-D229 PolarHBondContact N-OD1 3.42Å; A172-D229 PolarHBondContact N-OD2 2.98Å; A172-T245 VanDerWaalsContact CB-OG1 3.3Å; A172-T245 WeakPolarHBondContact CB-OG1 3.35Å; A172-P419 WeakPolarHBondContact O-CB 3.39Å; A172-P419 WeakPolarHBondContact O-CG 3.4Å
173	Y	91	Very high	94.5	Very high	45 Å²	45	13.8 Å²	13.8	18%	0.176	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	8.9	179.3	-143.5	-114	0	0	0	114.4	P171 N175 D229 T249 P419 L420	P171-Y173 PolarHBondContact O-N 3.44Å; Y173-N175 PolarHBondContact O-N 3.15Å; Y173-D229 WeakPolarHBondContact CB-OD1 3.35Å; Y173-D229 PolarHBondContact N-OD1 3.44Å; Y173-T249 HydrophobicContact CD1-CG2 4.4Å; Y173-T249 WeakPolarHBondContact O-CG2 3.23Å; Y173-P419 HydrophobicContact CD2-CB 3.81Å; Y173-P419 HydrophobicContact CE2-CB 4.28Å; Y173-L420 HydrophobicContact CE1-CD2 4.1Å; Y173-L420 HydrophobicContact CE2-CD2 3.95Å; Y173-L420 WeakPolarHBondContact OH-CD2 3.42Å
174	F	91.4	Very high	94.4	Very high	1 Å²	1	14.1 Å²	14.1	0%	0.004	7%	0.073	C	C	.	.			trans	-60.7	137.1	169.5	-99.1	22.7	0	0	0	111.2	K94 I97 V170 P171 A172 Q178 R179 T227 T249	K94-F174 HydrophobicContact CG-CZ 3.99Å; I97-F174 HydrophobicContact CG2-CE2 4.22Å; I97-F174 HydrophobicContact CG2-CZ 4.13Å; V170-F174 HydrophobicContact CB-CB 4.36Å; V170-F174 HydrophobicContact CB-CD2 3.73Å; V170-F174 HydrophobicContact CB-CE2 4.38Å; V170-F174 HydrophobicContact CB-CG 4.25Å; V170-F174 HydrophobicContact CG1-CD2 3.88Å; V170-F174 HydrophobicContact CG1-CE2 4.31Å; P171-F174 HydrophobicContact CB-CD1 3.58Å; P171-F174 HydrophobicContact CB-CE1 4Å; P171-F174 HydrophobicContact CB-CG 4.15Å; P171-F174 HydrophobicContact CG-CD1 3.53Å; P171-F174 HydrophobicContact CG-CE1 3.43Å; P171-F174 VanDerWaalsContact CG-CE1 3.43Å; P171-F174 HydrophobicContact CG-CE2 4.49Å; P171-F174 HydrophobicContact CG-CG 4.15Å; P171-F174 HydrophobicContact CG-CZ 3.96Å; P171-F174 VanDerWaalsContact O-CB 3.31Å; P171-F174 WeakPolarHBondContact O-CB 3.49Å; P171-F174 PolarHBondContact O-N 2.82Å; A172-F174 VanDerWaalsContact C-N 3.28Å; A172-F174 PolarHBondContact O-N 3.07Å; F174-Q178 HydrophobicContact CB-CB 4.12Å; F174-Q178 HydrophobicContact CD1-CB 4.21Å; F174-Q178 HydrophobicContact CD2-CB 3.4Å; F174-Q178 VanDerWaalsContact CD2-CB 3.4Å; F174-Q178 HydrophobicContact CD2-CG 4.48Å; F174-Q178 HydrophobicContact CE1-CB 4.47Å; F174-Q178 HydrophobicContact CE2-CB 3.74Å; F174-Q178 HydrophobicContact CG-CB 3.66Å; F174-Q178 HydrophobicContact CG-CG 4.48Å; F174-Q178 HydrophobicContact CZ-CB 4.26Å; F174-R179 HydrophobicContact CB-CG 4.09Å; F174-R179 PolarHBondContact O-NE 3.15Å; F174-T227 HydrophobicContact CE1-CG2 4.46Å; F174-T249 HydrophobicContact CD1-CG2 3.87Å; F174-T249 HydrophobicContact CE1-CG2 4.42Å
175	N	87.3	Confident	94.5	Very high	18 Å²	18	11.5 Å²	11.5	10%	0.096	6%	0.057	C	C	.	.			trans	-85.2	174.2	179.2	88.7	-10	0	0	0	112.5	Y173 A177 Q178 R179 L420 E465 H475	Y173-N175 PolarHBondContact O-N 3.15Å; N175-A177 VanDerWaalsContact C-N 3.29Å; N175-A177 PolarHBondContact O-N 3.33Å; N175-A177 PolarHBondContact OD1-N 3.08Å; N175-A177 VanDerWaalsContact OD1-N 3.14Å; N175-Q178 VanDerWaalsContact N-OE1 3.12Å; N175-Q178 PolarHBondContact O-N 3.47Å; N175-Q178 WeakPolarHBondContact OD1-CB 3.18Å; N175-Q178 WeakPolarHBondContact OD1-CG 3.4Å; N175-Q178 PolarHBondContact OD1-N 3.41Å; N175-Q178 PolarHBondContact OD1-OE1 3.47Å; N175-R179 WeakPolarHBondContact O-CG 3.34Å; N175-R179 PolarHBondContact O-N 2.8Å; N175-L420 HydrophobicContact CB-CD1 4.32Å; N175-E465 WeakPolarHBondContact CB-OE1 3.3Å; N175-E465 WeakPolarHBondContact CB-OE2 3.4Å; N175-E465 VanDerWaalsContact CG-OE1 3.27Å; N175-E465 PolarHBondContact ND2-OE1 3.24Å; N175-H475 PolarHBondContact ND2-NE2 3.23Å
176	D	86.3	Confident	94.4	Very high	8 Å²	8	10.1 Å²	10.1	4%	0.043	5%	0.05	C	C	.	.	H	α-helix	trans	-60.3	-36.9	-175.4	-178.4	64.3	0	0	0	112.6	Q180 L477 I506 L507 R530	D176-Q180 WeakPolarHBondContact O-CB 3.01Å; D176-Q180 PolarHBondContact O-N 3.35Å; D176-Q180 VanDerWaalsContact O-N 3.1Å; D176-L477 HydrophobicContact CB-CD1 4.49Å; D176-L477 HydrophobicContact CB-CD2 3.77Å; D176-I506 WeakPolarHBondContact OD1-CA 3.47Å; D176-L507 PolarHBondContact OD1-N 2.97Å; D176-R530 PolarHBondContact O-NH2 3.46Å; D176-R530 IonicContact OD1-NH2 2.84Å; D176-R530 IonicContact OD2-CZ 3.4Å; D176-R530 IonicContact OD2-NH1 2.68Å; D176-R530 IonicContact OD2-NH2 2.8Å; D176-R530 PolarHBondContact OD2-NH2 3.03Å
177	A	88.5	Confident	94.4	Very high	23 Å²	23	12.8 Å²	12.8	19%	0.19	7%	0.067	C	C	.	.	H	α-helix	trans	-67.6	-41.8	177.3	0	0	0	0	0	112.5	G98 N175 A181	G98-A177 WeakPolarHBondContact O-CB 3.39Å; N175-A177 VanDerWaalsContact C-N 3.29Å; N175-A177 PolarHBondContact O-N 3.33Å; N175-A177 PolarHBondContact OD1-N 3.08Å; N175-A177 VanDerWaalsContact OD1-N 3.14Å; A177-A181 VanDerWaalsContact O-CB 3.24Å; A177-A181 WeakPolarHBondContact O-CB 3.43Å; A177-A181 PolarHBondContact O-N 3.14Å
178	Q	93.3	Very high	94.3	Very high	5 Å²	5	13 Å²	13	2%	0.023	7%	0.068	C	C	.	.	H	α-helix	trans	-69.6	-39.7	178.9	-65.5	174.5	-61.6	0	0	112.4	I97 F174 N175 A181 T182	I97-Q178 WeakPolarHBondContact O-CG 3.39Å; F174-Q178 HydrophobicContact CB-CB 4.12Å; F174-Q178 HydrophobicContact CD1-CB 4.21Å; F174-Q178 HydrophobicContact CD2-CB 3.4Å; F174-Q178 VanDerWaalsContact CD2-CB 3.4Å; F174-Q178 HydrophobicContact CD2-CG 4.48Å; F174-Q178 HydrophobicContact CE1-CB 4.47Å; F174-Q178 HydrophobicContact CE2-CB 3.74Å; F174-Q178 HydrophobicContact CG-CB 3.66Å; F174-Q178 HydrophobicContact CG-CG 4.48Å; F174-Q178 HydrophobicContact CZ-CB 4.26Å; N175-Q178 VanDerWaalsContact N-OE1 3.12Å; N175-Q178 PolarHBondContact O-N 3.47Å; N175-Q178 WeakPolarHBondContact OD1-CB 3.18Å; N175-Q178 WeakPolarHBondContact OD1-CG 3.4Å; N175-Q178 PolarHBondContact OD1-N 3.41Å; N175-Q178 PolarHBondContact OD1-OE1 3.47Å; Q178-A181 PolarHBondContact O-N 2.89Å; Q178-T182 WeakPolarHBondContact O-CB 3.02Å; Q178-T182 PolarHBondContact O-N 2.93Å; Q178-T182 PolarHBondContact O-OG1 3.35Å
179	R	93.4	Very high	94.3	Very high	7 Å²	7	13.3 Å²	13.3	3%	0.026	7%	0.07	C	C	.	.	H	α-helix	trans	-61.1	-49.4	174.1	-72.2	174.4	-178.3	-82.9	-9.1	111.4	V170 A172 F174 N175 T182 K183 N198 N504 I506	V170-R179 HydrophobicContact CG2-CG 4.35Å; A172-R179 PolarHBondContact O-NH2 3.34Å; F174-R179 HydrophobicContact CB-CG 4.09Å; F174-R179 PolarHBondContact O-NE 3.15Å; N175-R179 WeakPolarHBondContact O-CG 3.34Å; N175-R179 PolarHBondContact O-N 2.8Å; R179-T182 PolarHBondContact O-N 2.82Å; R179-K183 PolarHBondContact O-N 2.89Å; R179-N198 VanDerWaalsContact CZ-OD1 3.23Å; R179-N198 PolarHBondContact NH1-OD1 2.96Å; R179-N198 PolarHBondContact NH2-OD1 3.42Å; R179-N504 PolarHBondContact NH1-O 3.31Å; R179-I506 HydrophobicContact CB-CG1 4.4Å
180	Q	90.6	Very high	94.2	Very high	35 Å²	35	15 Å²	15	16%	0.164	9%	0.088	C	C	.	.	H	α-helix	trans	-62.2	-46.5	178.1	-174.6	61.5	56.5	0	0	111.3	D176 T182 K183 D184	D176-Q180 WeakPolarHBondContact O-CB 3.01Å; D176-Q180 PolarHBondContact O-N 3.35Å; D176-Q180 VanDerWaalsContact O-N 3.1Å; Q180-T182 VanDerWaalsContact C-N 3.27Å; Q180-T182 PolarHBondContact O-N 3.29Å; Q180-K183 WeakPolarHBondContact O-CB 3.48Å; Q180-K183 PolarHBondContact O-N 3.41Å; Q180-K183 VanDerWaalsContact O-N 3.09Å; Q180-D184 PolarHBondContact NE2-OD1 3.3Å; Q180-D184 PolarHBondContact O-N 3.21Å
181	A	94.7	Very high	94.2	Very high	3 Å²	3	15.3 Å²	15.3	3%	0.025	9%	0.089	C	C	.	.	H	α-helix	trans	-61	-35.1	179.2	0	0	0	0	0	112.7	I97 E141 A177 Q178 D184 A185	I97-A181 HydrophobicContact CD1-CB 4.24Å; I97-A181 HydrophobicContact CG1-CB 3.67Å; E141-A181 HydrophobicContact CG-CB 3.78Å; E141-A181 WeakPolarHBondContact CG-O 3.43Å; A177-A181 VanDerWaalsContact O-CB 3.24Å; A177-A181 WeakPolarHBondContact O-CB 3.43Å; A177-A181 PolarHBondContact O-N 3.14Å; Q178-A181 PolarHBondContact O-N 2.89Å; A181-D184 PolarHBondContact O-N 3.5Å; A181-A185 PolarHBondContact O-N 3.22Å
182	T	97.2	Very high	94.2	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.012	11%	0.113	C	C	.	.	H	α-helix	trans	-69.7	-39.5	174.5	-54.5	0	0	0	0	111.8	L33 V168 V170 Q178 R179 Q180 D184 A185 G186	L33-T182 HydrophobicContact CD2-CG2 4Å; V168-T182 HydrophobicContact CG1-CG2 3.95Å; V170-T182 HydrophobicContact CG1-CG2 3.78Å; Q178-T182 WeakPolarHBondContact O-CB 3.02Å; Q178-T182 PolarHBondContact O-N 2.93Å; Q178-T182 PolarHBondContact O-OG1 3.35Å; R179-T182 PolarHBondContact O-N 2.82Å; Q180-T182 VanDerWaalsContact C-N 3.27Å; Q180-T182 PolarHBondContact O-N 3.29Å; T182-D184 VanDerWaalsContact C-N 3.35Å; T182-A185 WeakPolarHBondContact O-CB 3.25Å; T182-A185 PolarHBondContact O-N 2.97Å; T182-G186 PolarHBondContact O-N 2.98Å; T182-G186 VanDerWaalsContact O-N 3.11Å
183	K	96.2	Very high	94.5	Very high	55 Å²	55	20 Å²	20	24%	0.239	12%	0.115	C	C	.	.	H	α-helix	trans	-64.1	-40.1	173.1	-171.7	177.2	-179.7	177.3	0	112	R179 Q180 A185 G186 T187 V193 I196 I506	R179-K183 PolarHBondContact O-N 2.89Å; Q180-K183 WeakPolarHBondContact O-CB 3.48Å; Q180-K183 PolarHBondContact O-N 3.41Å; Q180-K183 VanDerWaalsContact O-N 3.09Å; K183-A185 VanDerWaalsContact C-N 3.35Å; K183-G186 PolarHBondContact O-N 3.22Å; K183-T187 PolarHBondContact O-N 2.96Å; K183-T187 PolarHBondContact O-OG1 3.01Å; K183-T187 VanDerWaalsContact O-OG1 3.05Å; K183-V193 HydrophobicContact CG-CB 4.11Å; K183-V193 HydrophobicContact CG-CG1 4.35Å; K183-V193 HydrophobicContact CG-CG2 4.49Å; K183-I196 HydrophobicContact CB-CD1 4.27Å; K183-I196 HydrophobicContact CB-CG1 4.37Å; K183-I506 HydrophobicContact CD-CD1 3.94Å
184	D	95.9	Very high	94.7	Very high	10 Å²	10	20.4 Å²	20.4	5%	0.053	12%	0.119	C	C	.	.	H	α-helix	trans	-64	-41.3	175.5	-64	-16.7	0	0	0	110.5	Q180 A181 T182 G186 T187 I188 L531 I536	Q180-D184 PolarHBondContact NE2-OD1 3.3Å; Q180-D184 PolarHBondContact O-N 3.21Å; A181-D184 PolarHBondContact O-N 3.5Å; T182-D184 VanDerWaalsContact C-N 3.35Å; D184-G186 VanDerWaalsContact C-N 3.32Å; D184-G186 PolarHBondContact O-N 2.96Å; D184-T187 WeakPolarHBondContact O-CA 3.34Å; D184-T187 WeakPolarHBondContact O-CB 3.4Å; D184-T187 PolarHBondContact O-N 2.76Å; D184-T187 VanDerWaalsContact O-N 3.08Å; D184-I188 VanDerWaalsContact O-CG1 3.3Å; D184-I188 WeakPolarHBondContact O-CG1 3.19Å; D184-I188 PolarHBondContact O-N 3.25Å; D184-L531 HydrophobicContact CB-CD1 4.36Å; D184-I536 HydrophobicContact CB-CD1 4.29Å
185	A	98.3	Very high	95	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-58.3	-41.9	173.2	0	0	0	0	0	112.3	E141 A145 L148 A181 T182 K183 T187 I188 A189	E141-A185 HydrophobicContact CB-CB 4.46Å; E141-A185 VanDerWaalsContact O-CB 3.31Å; E141-A185 WeakPolarHBondContact O-CB 3.29Å; A145-A185 HydrophobicContact CB-CB 4.44Å; A145-A185 WeakPolarHBondContact CB-O 3.24Å; L148-A185 HydrophobicContact CD1-CB 4.1Å; A181-A185 PolarHBondContact O-N 3.22Å; T182-A185 WeakPolarHBondContact O-CB 3.25Å; T182-A185 PolarHBondContact O-N 2.97Å; K183-A185 VanDerWaalsContact C-N 3.35Å; A185-T187 VanDerWaalsContact C-N 3.34Å; A185-T187 PolarHBondContact O-N 3.4Å; A185-I188 PolarHBondContact O-N 2.98Å; A185-A189 PolarHBondContact O-N 3.47Å
186	G	98	Very high	95.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.7	-40.4	173	0	0	0	0	0	112.8	T182 K183 D184 A189 G190 L191	T182-G186 PolarHBondContact O-N 2.98Å; T182-G186 VanDerWaalsContact O-N 3.11Å; K183-G186 PolarHBondContact O-N 3.22Å; D184-G186 VanDerWaalsContact C-N 3.32Å; D184-G186 PolarHBondContact O-N 2.96Å; G186-A189 PolarHBondContact O-N 2.9Å; G186-G190 PolarHBondContact O-N 2.71Å; G186-L191 CarbonylContact C-O 3.48Å; G186-L191 WeakPolarHBondContact O-CB 3.38Å; G186-L191 PolarHBondContact O-N 2.83Å
187	T	97.1	Very high	96	Very high	57 Å²	57	21.4 Å²	21.4	35%	0.35	12%	0.121	S	C	.	.	H	α-helix	trans	-62.2	-44.3	175.3	-53.4	0	0	0	0	111.3	K183 D184 A185 A189 G190 I536	K183-T187 PolarHBondContact O-N 2.96Å; K183-T187 PolarHBondContact O-OG1 3.01Å; K183-T187 VanDerWaalsContact O-OG1 3.05Å; D184-T187 WeakPolarHBondContact O-CA 3.34Å; D184-T187 WeakPolarHBondContact O-CB 3.4Å; D184-T187 PolarHBondContact O-N 2.76Å; D184-T187 VanDerWaalsContact O-N 3.08Å; A185-T187 VanDerWaalsContact C-N 3.34Å; A185-T187 PolarHBondContact O-N 3.4Å; T187-A189 VanDerWaalsContact C-N 3.27Å; T187-A189 PolarHBondContact O-N 3.39Å; T187-G190 PolarHBondContact O-N 2.8Å; T187-I536 HydrophobicContact CG2-CG2 3.89Å
188	I	97.6	Very high	96.4	Very high	5 Å²	5	20.6 Å²	20.6	3%	0.026	11%	0.114	C	C	.	.	H	α-helix	trans	-62.3	-33.8	176.2	-64	161	0	0	0	111.6	E141 E142 A145 D184 A185 G190 L531 I536 M539 A543	E141-I188 HydrophobicContact CB-CD1 4.09Å; E142-I188 HydrophobicContact CG-CD1 4.49Å; A145-I188 HydrophobicContact CB-CB 3.67Å; A145-I188 HydrophobicContact CB-CG2 3.54Å; D184-I188 VanDerWaalsContact O-CG1 3.3Å; D184-I188 WeakPolarHBondContact O-CG1 3.19Å; D184-I188 PolarHBondContact O-N 3.25Å; A185-I188 PolarHBondContact O-N 2.98Å; I188-G190 PolarHBondContact O-N 3.39Å; I188-L531 HydrophobicContact CD1-CD1 4.19Å; I188-I536 HydrophobicContact CG1-CG2 4.32Å; I188-M539 HydrophobicContact CD1-CB 3.94Å; I188-M539 HydrophobicContact CD1-CG 4.46Å; I188-M539 HydrophobicContact CD1-SD 3.72Å; I188-M539 HydrophobicContact CG1-CB 3.87Å; I188-M539 HydrophobicContact CG2-CB 4.07Å; I188-A543 HydrophobicContact CG2-CB 4Å; I188-A543 WeakPolarHBondContact O-CB 3.26Å
189	A	97.8	Very high	96.7	Very high	5 Å²	5	20.8 Å²	20.8	4%	0.041	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	2.1	174.1	0	0	0	0	0	114	A145 L148 K152 A185 G186 T187 L191	A145-A189 HydrophobicContact CB-CB 4.24Å; A145-A189 WeakPolarHBondContact O-CB 3.41Å; L148-A189 HydrophobicContact CB-CB 3.76Å; K152-A189 PolarHBondContact NZ-O 2.65Å; A185-A189 PolarHBondContact O-N 3.47Å; G186-A189 PolarHBondContact O-N 2.9Å; T187-A189 VanDerWaalsContact C-N 3.27Å; T187-A189 PolarHBondContact O-N 3.39Å; A189-L191 VanDerWaalsContact C-N 3.34Å; A189-L191 HydrophobicContact CB-CD1 4.42Å
190	G	96.5	Very high	96.8	Very high	37 Å²	37	20.4 Å²	20.4	38%	0.381	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	35.6	-176.2	0	0	0	0	0	112.6	K152 G186 T187 I188	K152-G190 PolarHBondContact NZ-O 2.93Å; K152-G190 VanDerWaalsContact NZ-O 3.14Å; G186-G190 PolarHBondContact O-N 2.71Å; T187-G190 PolarHBondContact O-N 2.8Å; I188-G190 PolarHBondContact O-N 3.39Å
191	L	97.9	Very high	97.1	Very high	5 Å²	5	18.8 Å²	18.8	3%	0.026	11%	0.106	C	C	.	.			trans	-112.4	129.8	171.6	-66.1	168	0	0	0	109.8	I31 K152 V163 T164 A166 G186 A189 V193	I31-L191 HydrophobicContact CD1-CD1 3.82Å; K152-L191 HydrophobicContact CB-CD2 4.39Å; K152-L191 HydrophobicContact CD-CD2 3.81Å; K152-L191 HydrophobicContact CD-CG 4.15Å; K152-L191 HydrophobicContact CG-CD2 4.21Å; V163-L191 HydrophobicContact CG1-CD2 4.39Å; T164-L191 CarbonylContact O-C 3.58Å; T164-L191 WeakPolarHBondContact O-CA 3.42Å; A166-L191 HydrophobicContact CB-CB 4.38Å; A166-L191 HydrophobicContact CB-CD1 4.02Å; A166-L191 HydrophobicContact CB-CD2 4.19Å; A166-L191 HydrophobicContact CB-CG 4.44Å; G186-L191 CarbonylContact C-O 3.48Å; G186-L191 WeakPolarHBondContact O-CB 3.38Å; G186-L191 PolarHBondContact O-N 2.83Å; A189-L191 VanDerWaalsContact C-N 3.34Å; A189-L191 HydrophobicContact CB-CD1 4.42Å; L191-V193 PolarHBondContact O-N 3.46Å
192	N	97.7	Very high	97.3	Very high	93 Å²	93	18.7 Å²	18.7	50%	0.497	11%	0.105	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	104.1	162.3	-178.1	1.7	0	0	0	108.7	T164 H165 A166 M194	T164-N192 PolarHBondContact O-N 2.95Å; H165-N192 WeakPolarHBondContact CA-O 3.49Å; H165-N192 VanDerWaalsContact CD2-CB 3.49Å; H165-N192 WeakPolarHBondContact CD2-CB 3.24Å; H165-N192 PolarHBondContact CD2-ND2 3Å; H165-N192 VanDerWaalsContact CD2-ND2 3.27Å; H165-N192 PolarHBondContact NE2-ND2 3.36Å; A166-N192 PolarHBondContact N-O 2.9Å; N192-M194 PolarHBondContact O-N 2.83Å; N192-M194 VanDerWaalsContact O-N 3.07Å
193	V	97.6	Very high	97.3	Very high	6 Å²	6	18.6 Å²	18.6	4%	0.036	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	96.4	178.9	-175.9	0	0	0	0	109.4	A166 V168 K183 L191 R195 I196	A166-V193 CarbonylContact O-C 3.55Å; A166-V193 WeakPolarHBondContact O-CA 3.42Å; V168-V193 HydrophobicContact CB-CG1 4.36Å; V168-V193 HydrophobicContact CG2-CG1 4.22Å; V168-V193 HydrophobicContact CG2-CG2 4.24Å; K183-V193 HydrophobicContact CG-CB 4.11Å; K183-V193 HydrophobicContact CG-CG1 4.35Å; K183-V193 HydrophobicContact CG-CG2 4.49Å; L191-V193 PolarHBondContact O-N 3.46Å; V193-R195 VanDerWaalsContact C-N 3.32Å; V193-I196 HydrophobicContact CG1-CD1 3.66Å; V193-I196 HydrophobicContact CG1-CG1 4.13Å
194	M	96.4	Very high	97.2	Very high	53 Å²	53	16 Å²	16	26%	0.261	9%	0.093	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	-30.7	-177.2	-63.3	-171.3	74.5	0	0	112.5	V25 V28 H165 A166 N192 L403	V25-M194 HydrophobicContact CB-SD 4.49Å; V25-M194 HydrophobicContact CG1-CE 4.15Å; V25-M194 HydrophobicContact CG2-CE 4.44Å; V25-M194 HydrophobicContact CG2-SD 4.5Å; V28-M194 HydrophobicContact CB-SD 4.42Å; V28-M194 HydrophobicContact CG1-SD 3.91Å; V28-M194 HydrophobicContact CG2-SD 3.54Å; V28-M194 VanDerWaalsContact CG2-SD 3.54Å; H165-M194 HydrophobicContact CB-CG 4.12Å; H165-M194 HydrophobicContact CB-SD 3.84Å; A166-M194 PolarHBondContact O-N 3.14Å; N192-M194 PolarHBondContact O-N 2.83Å; N192-M194 VanDerWaalsContact O-N 3.07Å; M194-L403 HydrophobicContact CB-CD1 4.15Å; M194-L403 HydrophobicContact CE-CB 4.15Å; M194-L403 HydrophobicContact SD-CB 4.48Å
195	R	96.6	Very high	97.1	Very high	40 Å²	40	15.5 Å²	15.5	15%	0.151	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	137.2	177.3	-170.4	65.8	63	88.4	3.5	110.5	V167 V168 V193 Q399 L403 V503 N504	V167-R195 WeakPolarHBondContact CA-O 3.49Å; V167-R195 HydrophobicContact CG1-CB 4.16Å; V167-R195 HydrophobicContact CG2-CB 4.04Å; V168-R195 PolarHBondContact N-O 2.77Å; V168-R195 VanDerWaalsContact N-O 3.09Å; V193-R195 VanDerWaalsContact C-N 3.32Å; R195-Q399 HydrophobicContact CG-CG 4.45Å; R195-L403 HydrophobicContact CB-CD1 3.74Å; R195-V503 VanDerWaalsContact CZ-CG2 3.48Å; R195-N504 WeakPolarHBondContact CA-OD1 3.08Å
196	I	97.3	Very high	96.9	Very high	5 Å²	5	16.5 Å²	16.5	3%	0.026	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	123.2	157	-64.8	-65.1	0	0	0	107.4	V168 V170 K183 V193 N504	V168-I196 HydrophobicContact CB-CD1 4.19Å; V168-I196 WeakPolarHBondContact O-CA 2.98Å; V170-I196 HydrophobicContact CB-CG2 4.16Å; V170-I196 HydrophobicContact CG1-CG2 3.75Å; V170-I196 HydrophobicContact CG2-CG2 3.32Å; K183-I196 HydrophobicContact CB-CD1 4.27Å; K183-I196 HydrophobicContact CB-CG1 4.37Å; V193-I196 HydrophobicContact CG1-CD1 3.66Å; V193-I196 HydrophobicContact CG1-CG1 4.13Å; I196-N504 HydrophobicContact CB-CB 4.13Å; I196-N504 HydrophobicContact CG1-CB 4.48Å; I196-N504 PolarHBondContact N-OD1 3.01Å
197	I	97.6	Very high	96.6	Very high	3 Å²	3	17.2 Å²	17.2	2%	0.015	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	141.6	179.1	-168.6	167.4	0	0	0	110.4	V167 V168 T169 V170 T201 A202 I205 A396 Q399	V167-I197 HydrophobicContact CG1-CB 4.1Å; V167-I197 HydrophobicContact CG1-CG2 3.62Å; V168-I197 PolarHBondContact O-N 3.12Å; V168-I197 VanDerWaalsContact O-N 3.09Å; T169-I197 CarbonylContact C-O 3.58Å; T169-I197 VanDerWaalsContact CA-O 3.26Å; T169-I197 WeakPolarHBondContact CA-O 3.46Å; T169-I197 HydrophobicContact CG2-CG2 3.72Å; V170-I197 PolarHBondContact N-O 3.18Å; I197-T201 HydrophobicContact CG1-CG2 4.49Å; I197-A202 HydrophobicContact CD1-CB 4.04Å; I197-A202 HydrophobicContact CG1-CB 4.3Å; I197-A202 HydrophobicContact CG2-CB 4.3Å; I197-I205 HydrophobicContact CD1-CD1 3.82Å; I197-A396 HydrophobicContact CG2-CB 4.2Å; I197-Q399 HydrophobicContact CD1-CB 4.04Å; I197-Q399 HydrophobicContact CD1-CG 4.16Å
198	N	97.8	Very high	96.3	Very high	6 Å²	6	14.6 Å²	14.6	3%	0.032	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	136.9	175.5	-67	-27.3	0	0	0	110.6	V170 A172 R179 T201 A202 D416	V170-N198 CarbonylContact O-C 3.56Å; V170-N198 VanDerWaalsContact O-CA 3.32Å; V170-N198 WeakPolarHBondContact O-CA 3.4Å; A172-N198 HydrophobicContact CB-CB 4.17Å; R179-N198 VanDerWaalsContact CZ-OD1 3.23Å; R179-N198 PolarHBondContact NH1-OD1 2.96Å; R179-N198 PolarHBondContact NH2-OD1 3.42Å; N198-T201 WeakPolarHBondContact O-CB 3.43Å; N198-T201 PolarHBondContact O-N 3.49Å; N198-T201 VanDerWaalsContact O-N 3.1Å; N198-A202 PolarHBondContact O-N 3.07Å; N198-D416 PolarHBondContact ND2-OD1 3.42Å; N198-D416 PolarHBondContact ND2-OD2 3.03Å
199	E	98.1	Very high	95.6	Very high	9 Å²	9	16.4 Å²	16.4	4%	0.042	10%	0.095	C	C	.	.	H	α-helix	trans	-54.7	-49.6	-177.8	-71.9	163.1	-159.6	0	0	113	K94 V170 P171 T201 A202 A203 V392	K94-E199 IonicContact NZ-OE1 3.7Å; K94-E199 PolarHBondContact NZ-OE1 2.87Å; V170-E199 VanDerWaalsContact C-OE1 3.27Å; V170-E199 WeakPolarHBondContact O-CG 3.25Å; V170-E199 PolarHBondContact O-N 3.33Å; P171-E199 WeakPolarHBondContact CD-OE1 3.38Å; P171-E199 VanDerWaalsContact N-OE1 3.13Å; E199-T201 VanDerWaalsContact C-N 3.3Å; E199-T201 PolarHBondContact O-N 3.41Å; E199-A202 PolarHBondContact O-N 2.75Å; E199-A203 PolarHBondContact O-N 3.03Å; E199-V392 HydrophobicContact CB-CG1 4.11Å; E199-V392 HydrophobicContact CB-CG2 4.3Å; E199-V392 HydrophobicContact CG-CG1 3.84Å
200	P	96.9	Very high	94.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.1	-35.1	176.4	-23.4	34.9	0	0	0	113.4	A172 A203 A204 V220 D222 D229 S231	A172-P200 HydrophobicContact CB-CG 3.91Å; P200-A203 PolarHBondContact O-N 2.69Å; P200-A204 WeakPolarHBondContact O-CB 3.42Å; P200-A204 PolarHBondContact O-N 2.96Å; P200-V220 HydrophobicContact CB-CB 4.04Å; P200-V220 HydrophobicContact CB-CG1 3.79Å; P200-D222 HydrophobicContact CG-CB 4.45Å; P200-D229 HydrophobicContact CG-CB 3.58Å; P200-S231 WeakPolarHBondContact CB-OG 3.42Å
201	T	97	Very high	94.1	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.006	13%	0.128	C	C	.	.	H	α-helix	trans	-65.7	-44.7	177	-55.7	0	0	0	0	110.8	I197 N198 E199 A203 A204 I205 V242 L414 D416	I197-T201 HydrophobicContact CG1-CG2 4.49Å; N198-T201 WeakPolarHBondContact O-CB 3.43Å; N198-T201 PolarHBondContact O-N 3.49Å; N198-T201 VanDerWaalsContact O-N 3.1Å; E199-T201 VanDerWaalsContact C-N 3.3Å; E199-T201 PolarHBondContact O-N 3.41Å; T201-A203 PolarHBondContact O-N 3.16Å; T201-A204 WeakPolarHBondContact O-CB 3.2Å; T201-A204 PolarHBondContact O-N 2.89Å; T201-I205 WeakPolarHBondContact O-CG1 3.34Å; T201-I205 PolarHBondContact O-N 2.83Å; T201-V242 HydrophobicContact CG2-CG2 4.45Å; T201-L414 HydrophobicContact CG2-CD1 3.18Å; T201-L414 HydrophobicContact CG2-CD2 4.09Å; T201-L414 HydrophobicContact CG2-CG 4.01Å; T201-D416 PolarHBondContact OG1-OD2 3.38Å
202	A	97.4	Very high	93	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.4	-45	174.3	0	0	0	0	0	111.3	I197 N198 E199 A204 I205 A206 V392 G395	I197-A202 HydrophobicContact CD1-CB 4.04Å; I197-A202 HydrophobicContact CG1-CB 4.3Å; I197-A202 HydrophobicContact CG2-CB 4.3Å; N198-A202 PolarHBondContact O-N 3.07Å; E199-A202 PolarHBondContact O-N 2.75Å; A202-A204 VanDerWaalsContact C-N 3.27Å; A202-A204 PolarHBondContact O-N 3.24Å; A202-I205 WeakPolarHBondContact O-CB 3.19Å; A202-I205 PolarHBondContact O-N 3.45Å; A202-I205 VanDerWaalsContact O-N 3.13Å; A202-A206 PolarHBondContact O-N 3.05Å; A202-V392 HydrophobicContact CB-CG1 4.34Å; A202-V392 WeakPolarHBondContact CB-O 3.5Å; A202-G395 VanDerWaalsContact O-CA 3.25Å; A202-G395 WeakPolarHBondContact O-CA 3.42Å
203	A	96.9	Very high	92.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63.5	-33	176.4	0	0	0	0	0	113.3	E199 P200 T201 A206 Y207 V220 V360 A391 V392	E199-A203 PolarHBondContact O-N 3.03Å; P200-A203 PolarHBondContact O-N 2.69Å; T201-A203 PolarHBondContact O-N 3.16Å; A203-A206 PolarHBondContact O-N 3.33Å; A203-Y207 PolarHBondContact O-N 3.21Å; A203-V220 HydrophobicContact CB-CG1 4.25Å; A203-V360 HydrophobicContact CB-CB 4.35Å; A203-V360 HydrophobicContact CB-CG1 4.03Å; A203-V360 HydrophobicContact CB-CG2 3.47Å; A203-V360 VanDerWaalsContact CB-CG2 3.47Å; A203-A391 HydrophobicContact CB-CB 4.1Å; A203-V392 HydrophobicContact CB-CG2 4.39Å
204	A	95.2	Very high	91.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65.9	-39.4	172.8	0	0	0	0	0	112.2	P200 T201 A202 A206 Y207 G208 V220 L233 F240	P200-A204 WeakPolarHBondContact O-CB 3.42Å; P200-A204 PolarHBondContact O-N 2.96Å; T201-A204 WeakPolarHBondContact O-CB 3.2Å; T201-A204 PolarHBondContact O-N 2.89Å; A202-A204 VanDerWaalsContact C-N 3.27Å; A202-A204 PolarHBondContact O-N 3.24Å; A204-A206 VanDerWaalsContact C-N 3.35Å; A204-Y207 WeakPolarHBondContact O-CB 3.17Å; A204-Y207 PolarHBondContact O-N 3.38Å; A204-G208 PolarHBondContact O-N 3.05Å; A204-V220 HydrophobicContact CB-CG2 4.13Å; A204-L233 HydrophobicContact CB-CD1 4.01Å; A204-L233 HydrophobicContact CB-CD2 3.55Å; A204-L233 HydrophobicContact CB-CG 4.33Å; A204-F240 HydrophobicContact CB-CD1 4.44Å; A204-F240 WeakPolarHBondContact O-CE1 3.39Å
205	I	94.4	Very high	91.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.5	-47.9	172.1	-64.8	168.5	0	0	0	110.1	I197 T201 A202 Y207 G208 L209 F240 V398 L414	I197-I205 HydrophobicContact CD1-CD1 3.82Å; T201-I205 WeakPolarHBondContact O-CG1 3.34Å; T201-I205 PolarHBondContact O-N 2.83Å; A202-I205 WeakPolarHBondContact O-CB 3.19Å; A202-I205 PolarHBondContact O-N 3.45Å; A202-I205 VanDerWaalsContact O-N 3.13Å; I205-Y207 PolarHBondContact O-N 3Å; I205-G208 PolarHBondContact O-N 3.15Å; I205-L209 WeakPolarHBondContact O-CB 3.39Å; I205-L209 PolarHBondContact O-N 2.96Å; I205-F240 HydrophobicContact CG1-CD1 4.46Å; I205-F240 HydrophobicContact CG1-CG 4.49Å; I205-V398 HydrophobicContact CG2-CB 3.73Å; I205-V398 HydrophobicContact CG2-CG1 3.63Å; I205-V398 HydrophobicContact CG2-CG2 4.09Å; I205-L414 HydrophobicContact CD1-CD1 3.9Å; I205-L414 HydrophobicContact CG1-CD1 4.33Å
206	A	93.9	Very high	91.4	Very high	21 Å²	21	39 Å²	39	17%	0.174	20%	0.199	C	C	.	.	H	α-helix	trans	-60.2	-33.3	177.6	0	0	0	0	0	112.7	A202 A203 A204 A391 Y394	A202-A206 PolarHBondContact O-N 3.05Å; A203-A206 PolarHBondContact O-N 3.33Å; A204-A206 VanDerWaalsContact C-N 3.35Å; A206-A391 HydrophobicContact CB-CB 4.39Å; A206-A391 VanDerWaalsContact CB-O 3.27Å; A206-A391 WeakPolarHBondContact CB-O 3.5Å; A206-Y394 HydrophobicContact CB-CD1 3.55Å; A206-Y394 HydrophobicContact CB-CE1 4.38Å; A206-Y394 HydrophobicContact CB-CG 4Å
207	Y	92	Very high	91.4	Very high	15 Å²	15	40.2 Å²	40.2	6%	0.059	21%	0.206	C	C	.	.	H	α-helix	trans	-70.5	-47.7	173.7	-179.4	-118.3	0	0	0	113.1	A203 A204 I205 K211 I218 I235 E356 V358 I386	A203-Y207 PolarHBondContact O-N 3.21Å; A204-Y207 WeakPolarHBondContact O-CB 3.17Å; A204-Y207 PolarHBondContact O-N 3.38Å; I205-Y207 PolarHBondContact O-N 3Å; Y207-K211 WeakPolarHBondContact O-CG 3.37Å; Y207-I218 HydrophobicContact CD1-CG1 4.13Å; Y207-I218 HydrophobicContact CD1-CG2 4.13Å; Y207-I218 HydrophobicContact CE1-CD1 3.96Å; Y207-I218 HydrophobicContact CE1-CG1 3.94Å; Y207-I218 HydrophobicContact CE1-CG2 4.32Å; Y207-I235 HydrophobicContact CD1-CD1 4.16Å; Y207-E356 HydrophobicContact CE1-CB 4.37Å; Y207-E356 HydrophobicContact CE1-CG 4.29Å; Y207-E356 VanDerWaalsContact OH-CG 3.24Å; Y207-E356 WeakPolarHBondContact OH-CG 3.41Å; Y207-V358 HydrophobicContact CD1-CG2 4.12Å; Y207-V358 HydrophobicContact CD2-CG2 4.02Å; Y207-V358 HydrophobicContact CE2-CG2 4.43Å; Y207-V358 HydrophobicContact CG-CG2 3.85Å; Y207-I386 HydrophobicContact CD2-CD1 3.55Å; Y207-I386 HydrophobicContact CD2-CG1 4.01Å; Y207-I386 HydrophobicContact CG-CD1 3.82Å
208	G	88.9	Confident	91.3	Very high	2 Å²	2	40.1 Å²	40.1	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-94.3	-13.3	-161.9	0	0	0	0	0	115.2	A204 I205 D210 K211	A204-G208 PolarHBondContact O-N 3.05Å; I205-G208 PolarHBondContact O-N 3.15Å; G208-D210 VanDerWaalsContact C-N 3.27Å; G208-D210 PolarHBondContact O-N 3.01Å; G208-K211 PolarHBondContact O-N 2.77Å
209	L	84.3	Confident	91.4	Very high	43 Å²	43	39.8 Å²	39.8	23%	0.225	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-43.4	-174.1	-172	66.7	0	0	0	113.2	I205 Y394 V398 V412	I205-L209 WeakPolarHBondContact O-CB 3.39Å; I205-L209 PolarHBondContact O-N 2.96Å; L209-Y394 HydrophobicContact CD2-CE1 4.29Å; L209-V398 HydrophobicContact CD1-CG1 4.11Å; L209-V398 HydrophobicContact CD2-CG2 3.95Å; L209-V412 HydrophobicContact CD1-CG2 3.97Å
210	D	81.7	Confident	91.4	Very high	137 Å²	137	39.4 Å²	39.4	73%	0.733	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.8	3.4	-178.2	-64.5	-39	0	0	0	113.7	G208	G208-D210 VanDerWaalsContact C-N 3.27Å; G208-D210 PolarHBondContact O-N 3.01Å
211	K	80.9	Confident	91.5	Very high	89 Å²	89	39.4 Å²	39.4	39%	0.387	20%	0.202	S	C	.	.			trans	-92.1	121.9	-174.2	-64.7	-65.8	-173.7	177.8	0	110.9	Y207 G208	Y207-K211 WeakPolarHBondContact O-CG 3.37Å; G208-K211 PolarHBondContact O-N 2.77Å
212	K	73.8	Confident	91.5	Very high	175 Å²	175	39.6 Å²	39.6	76%	0.761	20%	0.203	S	C	*	.			trans	-120.7	27	178.7	-61.1	-171.9	178.4	-176.6	0	112.8	G214	K212-G214 PolarHBondContact O-N 2.85Å
213	D	78.9	Confident	91.6	Very high	101 Å²	101	39.6 Å²	39.6	54%	0.54	20%	0.203	S	C	.	.	S	Bend	trans	-86	23	-170	-59.4	-28.2	0	0	0	113.4	K216	D213-K216 HydrophobicContact CB-CD 4.41Å; D213-K216 VanDerWaalsContact CB-CE 3.45Å; D213-K216 VanDerWaalsContact CB-NZ 3.32Å; D213-K216 IonicContact OD2-NZ 3.54Å; D213-K216 PolarHBondContact OD2-NZ 2.86Å
214	G	86.3	Confident	91.7	Very high	33 Å²	33	40.2 Å²	40.2	34%	0.34	21%	0.209	S	C	.	.	S	Bend	trans	76.9	-173.2	-171.5	0	0	0	0	0	113.7	K212 K216	K212-G214 PolarHBondContact O-N 2.85Å; G214-K216 PolarHBondContact O-N 3.34Å
215	E	94.3	Very high	91.7	Very high	136 Å²	136	40.7 Å²	40.7	64%	0.636	21%	0.214	S	C	*	.	S	Bend	trans	-62.1	128.1	177.9	-174.5	-178.6	-162.9	0	0	111	T234 I235 D236	E215-T234 HydrophobicContact CG-CG2 3.62Å; E215-T234 WeakPolarHBondContact OE1-CG2 3.26Å; E215-I235 CarbonylContact C-O 3.59Å; E215-I235 VanDerWaalsContact CA-O 3.31Å; E215-I235 WeakPolarHBondContact CA-O 3.32Å; E215-D236 HydrophobicContact CB-CB 4.19Å; E215-D236 HydrophobicContact CG-CB 4.33Å
216	K	95.6	Very high	91.8	Very high	42 Å²	42	40.7 Å²	40.7	18%	0.183	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	141.7	176.8	-67.8	-176.3	171.8	177	0	111.9	D213 G214 I218 T234 I235 D355	D213-K216 HydrophobicContact CB-CD 4.41Å; D213-K216 VanDerWaalsContact CB-CE 3.45Å; D213-K216 VanDerWaalsContact CB-NZ 3.32Å; D213-K216 IonicContact OD2-NZ 3.54Å; D213-K216 PolarHBondContact OD2-NZ 2.86Å; G214-K216 PolarHBondContact O-N 3.34Å; K216-I218 HydrophobicContact CB-CD1 3.56Å; K216-I218 HydrophobicContact CD-CD1 4.48Å; K216-T234 WeakPolarHBondContact O-CA 3.13Å; K216-I235 PolarHBondContact N-O 2.91Å; K216-I235 PolarHBondContact O-N 2.85Å; K216-D355 WeakPolarHBondContact CA-OD2 3.48Å; K216-D355 HydrophobicContact CB-CB 3.97Å; K216-D355 HydrophobicContact CD-CB 4.42Å; K216-D355 HydrophobicContact CG-CB 4.19Å
217	N	97.4	Very high	92	Very high	31 Å²	31	40 Å²	40	17%	0.166	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	113	170.4	-63.3	-44	0	0	0	110.2	L232 L233 T234 L349 D353 I354 D355 E356	N217-L232 HydrophobicContact CB-CD2 4.18Å; N217-L233 CarbonylContact C-O 3.56Å; N217-L233 WeakPolarHBondContact CA-O 3.31Å; N217-T234 PolarHBondContact OD1-OG1 3.05Å; N217-T234 VanDerWaalsContact OD1-OG1 3.1Å; N217-L349 HydrophobicContact CB-CD1 4.22Å; N217-D353 VanDerWaalsContact CB-O 3.31Å; N217-D353 WeakPolarHBondContact CB-O 3.09Å; N217-D353 PolarHBondContact ND2-O 3.38Å; N217-D353 VanDerWaalsContact ND2-O 3.1Å; N217-I354 HydrophobicContact CB-CD1 4.42Å; N217-D355 PolarHBondContact N-OD2 2.88Å; N217-D355 PolarHBondContact O-N 2.57Å; N217-E356 PolarHBondContact O-N 2.91Å
218	I	96.7	Very high	92.3	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	129.1	-177.9	-48.6	-36.7	0	0	0	109.5	Y207 K216 V220 L232 L233 I235 D355 E356 V358	Y207-I218 HydrophobicContact CD1-CG1 4.13Å; Y207-I218 HydrophobicContact CD1-CG2 4.13Å; Y207-I218 HydrophobicContact CE1-CD1 3.96Å; Y207-I218 HydrophobicContact CE1-CG1 3.94Å; Y207-I218 HydrophobicContact CE1-CG2 4.32Å; K216-I218 HydrophobicContact CB-CD1 3.56Å; K216-I218 HydrophobicContact CD-CD1 4.48Å; I218-V220 HydrophobicContact CG2-CG2 4.42Å; I218-L232 WeakPolarHBondContact O-CA 3.32Å; I218-L233 PolarHBondContact N-O 2.98Å; I218-L233 PolarHBondContact O-N 2.77Å; I218-I235 HydrophobicContact CB-CD1 4.23Å; I218-I235 HydrophobicContact CG1-CD1 3.49Å; I218-I235 VanDerWaalsContact CG1-CD1 3.49Å; I218-I235 HydrophobicContact CG1-CG1 3.96Å; I218-D355 HydrophobicContact CD1-CB 4.5Å; I218-E356 HydrophobicContact CD1-CB 3.74Å; I218-E356 HydrophobicContact CD1-CG 3.89Å; I218-E356 HydrophobicContact CG2-CB 4.35Å; I218-V358 HydrophobicContact CG2-CB 4.38Å; I218-V358 HydrophobicContact CG2-CG2 3.6Å
219	L	98.4	Very high	92.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	114.6	169.1	-173.1	131.4	0	0	0	109.7	F221 V230 V340 V343 I354 E356 I357 V358 F377	L219-F221 HydrophobicContact CD2-CB 4.26Å; L219-V230 HydrophobicContact CD1-CG1 4.05Å; L219-V230 HydrophobicContact CD2-CG1 4.06Å; L219-V230 HydrophobicContact CG-CG1 3.99Å; L219-V340 HydrophobicContact CD1-CG1 4.18Å; L219-V343 HydrophobicContact CD1-CG2 4.04Å; L219-I354 HydrophobicContact CB-CG2 3.8Å; L219-E356 PolarHBondContact N-O 3.4Å; L219-I357 HydrophobicContact CD2-CG2 4.28Å; L219-I357 CarbonylContact O-C 3.52Å; L219-I357 WeakPolarHBondContact O-CA 3.34Å; L219-V358 PolarHBondContact O-N 3.26Å; L219-F377 HydrophobicContact CD1-CZ 3.79Å; L219-F377 HydrophobicContact CD2-CE2 4.1Å; L219-F377 HydrophobicContact CD2-CZ 4.14Å; L219-F377 HydrophobicContact CG-CZ 4.45Å
220	V	98.5	Very high	93.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	124.2	171.6	-176.7	0	0	0	0	108.5	P200 A203 A204 I218 V230 S231 L233 V358 V360	P200-V220 HydrophobicContact CB-CB 4.04Å; P200-V220 HydrophobicContact CB-CG1 3.79Å; A203-V220 HydrophobicContact CB-CG1 4.25Å; A204-V220 HydrophobicContact CB-CG2 4.13Å; I218-V220 HydrophobicContact CG2-CG2 4.42Å; V220-V230 VanDerWaalsContact O-CA 3.3Å; V220-V230 WeakPolarHBondContact O-CA 3.39Å; V220-S231 PolarHBondContact N-O 3.25Å; V220-S231 PolarHBondContact O-N 3.48Å; V220-L233 HydrophobicContact CB-CD1 4.41Å; V220-L233 HydrophobicContact CG2-CD1 3.74Å; V220-V358 WeakPolarHBondContact CA-O 3.15Å; V220-V358 HydrophobicContact CG2-CB 4.3Å; V220-V360 HydrophobicContact CG1-CG2 3.77Å
221	F	98.6	Very high	94.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	104.9	174.8	-176.8	-77.1	0	0	0	107.8	L219 L223 F228 V230 T336 M337 V340 V358 L359 V360 T364 I369 V373	L219-F221 HydrophobicContact CD2-CB 4.26Å; F221-L223 HydrophobicContact CD1-CB 4.45Å; F221-L223 HydrophobicContact CE1-CB 3.91Å; F221-L223 HydrophobicContact CE1-CD2 4.41Å; F221-F228 AromaticContact CD1-CE2 3.99Å; F221-F228 HydrophobicContact CD1-CE2 3.99Å; F221-F228 AromaticContact CD2-CE2 3.8Å; F221-F228 HydrophobicContact CD2-CE2 3.8Å; F221-F228 AromaticContact CD2-CZ 3.9Å; F221-F228 HydrophobicContact CD2-CZ 3.9Å; F221-F228 HydrophobicContact CE1-CD2 4.4Å; F221-F228 AromaticContact CE1-CE2 3.61Å; F221-F228 HydrophobicContact CE1-CE2 3.61Å; F221-F228 HydrophobicContact CE1-CZ 4.38Å; F221-F228 AromaticContact CE2-CE2 3.41Å; F221-F228 HydrophobicContact CE2-CE2 3.41Å; F221-F228 VanDerWaalsContact CE2-CE2 3.41Å; F221-F228 AromaticContact CE2-CZ 3.35Å; F221-F228 HydrophobicContact CE2-CZ 3.35Å; F221-F228 HydrophobicContact CG-CE2 4.09Å; F221-F228 HydrophobicContact CZ-CD2 4.33Å; F221-F228 AromaticContact CZ-CE2 3.31Å; F221-F228 HydrophobicContact CZ-CE2 3.31Å; F221-F228 AromaticContact CZ-CZ 3.65Å; F221-F228 HydrophobicContact CZ-CZ 3.65Å; F221-V230 HydrophobicContact CD2-CG2 4.17Å; F221-T336 HydrophobicContact CZ-CG2 4.27Å; F221-M337 HydrophobicContact CE2-CE 3.54Å; F221-M337 HydrophobicContact CZ-CE 4.05Å; F221-V340 HydrophobicContact CD2-CG2 3.79Å; F221-V340 HydrophobicContact CE2-CG2 3.85Å; F221-V358 PolarHBondContact N-O 2.77Å; F221-L359 HydrophobicContact CB-CD2 3.84Å; F221-L359 HydrophobicContact CD1-CD2 3.99Å; F221-L359 HydrophobicContact CG-CD2 4.13Å; F221-L359 WeakPolarHBondContact O-CA 3.47Å; F221-V360 PolarHBondContact O-N 3.33Å; F221-T364 HydrophobicContact CD1-CG2 3.87Å; F221-T364 HydrophobicContact CE1-CG2 4.14Å; F221-I369 HydrophobicContact CE1-CG2 3.68Å; F221-I369 HydrophobicContact CZ-CG2 4.06Å; F221-V373 HydrophobicContact CD1-CG2 4.43Å; F221-V373 HydrophobicContact CD2-CG2 3.96Å; F221-V373 HydrophobicContact CE1-CG2 4.29Å; F221-V373 HydrophobicContact CE2-CG2 3.8Å; F221-V373 HydrophobicContact CG-CG2 4.28Å; F221-V373 HydrophobicContact CZ-CG2 3.96Å
222	D	98.4	Very high	95	Very high	6 Å²	6	26.4 Å²	26.4	3%	0.032	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	110.1	-176.6	-168.6	-9.7	0	0	0	110.4	P200 F228 D229 V360	P200-D222 HydrophobicContact CG-CB 4.45Å; D222-F228 CarbonylContact O-C 3.53Å; D222-F228 WeakPolarHBondContact O-CA 3.42Å; D222-F228 WeakPolarHBondContact O-CD2 3.44Å; D222-D229 HydrophobicContact CB-CB 4.42Å; D222-D229 PolarHBondContact N-O 3.14Å; D222-D229 PolarHBondContact O-N 3.28Å; D222-V360 WeakPolarHBondContact CA-O 3.43Å; D222-V360 HydrophobicContact CB-CB 4.05Å
223	L	98.6	Very high	96.2	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	97.4	176.4	-173.9	67.1	0	0	0	109.3	F221 F228 F256 T336 V360 G361 S363 T364 I369	F221-L223 HydrophobicContact CD1-CB 4.45Å; F221-L223 HydrophobicContact CE1-CB 3.91Å; F221-L223 HydrophobicContact CE1-CD2 4.41Å; L223-F228 HydrophobicContact CB-CD2 3.96Å; L223-F228 HydrophobicContact CB-CE2 4.48Å; L223-F228 HydrophobicContact CD1-CB 3.7Å; L223-F228 HydrophobicContact CD1-CD2 3.58Å; L223-F228 HydrophobicContact CD1-CG 3.87Å; L223-F228 HydrophobicContact CG-CD2 4.32Å; L223-F256 HydrophobicContact CD2-CE2 4.11Å; L223-F256 HydrophobicContact CD2-CZ 4.12Å; L223-T336 HydrophobicContact CD1-CG2 4.35Å; L223-T336 HydrophobicContact CD2-CG2 4.42Å; L223-V360 PolarHBondContact N-O 3.33Å; L223-G361 CarbonylContact O-C 3.51Å; L223-G361 VanDerWaalsContact O-C 3.31Å; L223-S363 VanDerWaalsContact O-CB 3.23Å; L223-S363 WeakPolarHBondContact O-CB 3.39Å; L223-S363 PolarHBondContact O-N 3.07Å; L223-S363 VanDerWaalsContact O-N 3.15Å; L223-T364 HydrophobicContact CB-CG2 3.86Å; L223-I369 HydrophobicContact CD2-CD1 3.86Å; L223-I369 HydrophobicContact CD2-CG1 3.99Å; L223-I369 HydrophobicContact CD2-CG2 4.28Å
224	G	97.9	Very high	97	Very high	13 Å²	13	14.3 Å²	14.3	13%	0.134	8%	0.084	C	C	.	.			trans	-88.4	-154.2	-176.5	0	0	0	0	0	114.1	T227 G253 S363	G224-T227 PolarHBondContact N-O 2.64Å; G224-G253 PolarHBondContact O-N 3.49Å; G224-S363 PolarHBondContact O-OG 2.96Å
225	G	97.3	Very high	97.4	Very high	10 Å²	10	13.2 Å²	13.2	10%	0.103	7%	0.071	C	C	.	.	S	Bend	trans	-75.9	-39.2	174	0	0	0	0	0	113	G252 G253 E254	G225-G252 CarbonylContact O-C 3.58Å; G225-G252 VanDerWaalsContact O-C 3.26Å; G225-G252 WeakPolarHBondContact O-CA 3.36Å; G225-G253 PolarHBondContact O-N 3.4Å; G225-E254 WeakPolarHBondContact O-CB 3.48Å; G225-E254 WeakPolarHBondContact O-CG 3.37Å; G225-E254 PolarHBondContact O-N 2.95Å
226	G	96.4	Very high	97.2	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.057	C	C	.	.	S	Bend	trans	-124.9	-18.1	-173.8	0	0	0	0	0	116.4	T35 R95 L251	T35-G226 WeakPolarHBondContact OG1-CA 3.48Å; T35-G226 PolarHBondContact OG1-N 3.16Å; R95-G226 PolarHBondContact NE-O 2.95Å; R95-G226 PolarHBondContact NH2-O 3.41Å; G226-L251 CarbonylContact C-O 3.26Å; G226-L251 CarbonylContact O-C 3.6Å; G226-L251 PolarHBondContact O-N 3.39Å
227	T	97.4	Very high	96.8	Very high	6 Å²	6	12.7 Å²	12.7	4%	0.037	7%	0.074	C	C	.	.			trans	-131	155.4	-172.6	54.4	0	0	0	0	111.7	P171 F174 G224 L251	P171-T227 HydrophobicContact CB-CG2 4.27Å; P171-T227 HydrophobicContact CG-CG2 3.71Å; F174-T227 HydrophobicContact CE1-CG2 4.46Å; G224-T227 PolarHBondContact N-O 2.64Å; T227-L251 CarbonylContact C-O 3.31Å; T227-L251 VanDerWaalsContact CA-O 3.24Å; T227-L251 WeakPolarHBondContact CA-O 3.3Å; T227-L251 PolarHBondContact N-O 3.31Å
228	F	98.4	Very high	96.2	Very high	0 Å²	0	12 Å²	12	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	124.9	175.5	175.1	-123.4	0	0	0	109.7	F221 D222 L223 V230 G247 D248 L251 T336 P339	F221-F228 AromaticContact CD1-CE2 3.99Å; F221-F228 HydrophobicContact CD1-CE2 3.99Å; F221-F228 AromaticContact CD2-CE2 3.8Å; F221-F228 HydrophobicContact CD2-CE2 3.8Å; F221-F228 AromaticContact CD2-CZ 3.9Å; F221-F228 HydrophobicContact CD2-CZ 3.9Å; F221-F228 HydrophobicContact CE1-CD2 4.4Å; F221-F228 AromaticContact CE1-CE2 3.61Å; F221-F228 HydrophobicContact CE1-CE2 3.61Å; F221-F228 HydrophobicContact CE1-CZ 4.38Å; F221-F228 AromaticContact CE2-CE2 3.41Å; F221-F228 HydrophobicContact CE2-CE2 3.41Å; F221-F228 VanDerWaalsContact CE2-CE2 3.41Å; F221-F228 AromaticContact CE2-CZ 3.35Å; F221-F228 HydrophobicContact CE2-CZ 3.35Å; F221-F228 HydrophobicContact CG-CE2 4.09Å; F221-F228 HydrophobicContact CZ-CD2 4.33Å; F221-F228 AromaticContact CZ-CE2 3.31Å; F221-F228 HydrophobicContact CZ-CE2 3.31Å; F221-F228 AromaticContact CZ-CZ 3.65Å; F221-F228 HydrophobicContact CZ-CZ 3.65Å; D222-F228 CarbonylContact O-C 3.53Å; D222-F228 WeakPolarHBondContact O-CA 3.42Å; D222-F228 WeakPolarHBondContact O-CD2 3.44Å; L223-F228 HydrophobicContact CB-CD2 3.96Å; L223-F228 HydrophobicContact CB-CE2 4.48Å; L223-F228 HydrophobicContact CD1-CB 3.7Å; L223-F228 HydrophobicContact CD1-CD2 3.58Å; L223-F228 HydrophobicContact CD1-CG 3.87Å; L223-F228 HydrophobicContact CG-CD2 4.32Å; F228-V230 HydrophobicContact CE1-CG2 3.82Å; F228-V230 HydrophobicContact CE2-CG2 3.82Å; F228-V230 HydrophobicContact CZ-CG2 3.22Å; F228-G247 CarbonylContact O-C 3.43Å; F228-G247 WeakPolarHBondContact O-CA 3.46Å; F228-D248 PolarHBondContact N-O 2.9Å; F228-D248 PolarHBondContact O-N 2.58Å; F228-L251 HydrophobicContact CB-CB 4.21Å; F228-L251 HydrophobicContact CB-CD2 4.18Å; F228-L251 HydrophobicContact CB-CG 4.28Å; F228-L251 HydrophobicContact CD1-CD2 4.15Å; F228-L251 HydrophobicContact CG-CD2 4.37Å; F228-L251 PolarHBondContact N-O 3.45Å; F228-T336 HydrophobicContact CD1-CG2 4.35Å; F228-T336 HydrophobicContact CD2-CG2 4.47Å; F228-T336 VanDerWaalsContact CE1-CA 3.45Å; F228-T336 HydrophobicContact CE1-CG2 4.23Å; F228-T336 VanDerWaalsContact CE1-O 3.22Å; F228-T336 WeakPolarHBondContact CE1-O 3.48Å; F228-T336 HydrophobicContact CE2-CG2 4.39Å; F228-T336 HydrophobicContact CG-CG2 4.47Å; F228-T336 HydrophobicContact CZ-CG2 4.25Å; F228-T336 VanDerWaalsContact CZ-O 3.25Å; F228-T336 WeakPolarHBondContact CZ-O 3.28Å; F228-P339 HydrophobicContact CD1-CG 4.13Å; F228-P339 HydrophobicContact CE1-CB 3.81Å; F228-P339 HydrophobicContact CE1-CG 3.66Å
229	D	97.6	Very high	95.9	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.005	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	149.2	174.9	-68.7	-59.1	0	0	0	111.1	P171 A172 Y173 P200 D222	P171-D229 WeakPolarHBondContact CA-OD2 3.37Å; P171-D229 WeakPolarHBondContact CB-OD2 3.45Å; A172-D229 HydrophobicContact CB-CB 4.26Å; A172-D229 VanDerWaalsContact N-CG 3.32Å; A172-D229 PolarHBondContact N-OD1 3.42Å; A172-D229 PolarHBondContact N-OD2 2.98Å; Y173-D229 WeakPolarHBondContact CB-OD1 3.35Å; Y173-D229 PolarHBondContact N-OD1 3.44Å; P200-D229 HydrophobicContact CG-CB 3.58Å; D222-D229 HydrophobicContact CB-CB 4.42Å; D222-D229 PolarHBondContact N-O 3.14Å; D222-D229 PolarHBondContact O-N 3.28Å
230	V	98.3	Very high	95.8	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	129.9	168.6	-170.3	0	0	0	0	107.7	L219 V220 F221 F228 T245 N246 P339 V340 V343	L219-V230 HydrophobicContact CD1-CG1 4.05Å; L219-V230 HydrophobicContact CD2-CG1 4.06Å; L219-V230 HydrophobicContact CG-CG1 3.99Å; V220-V230 VanDerWaalsContact O-CA 3.3Å; V220-V230 WeakPolarHBondContact O-CA 3.39Å; F221-V230 HydrophobicContact CD2-CG2 4.17Å; F228-V230 HydrophobicContact CE1-CG2 3.82Å; F228-V230 HydrophobicContact CE2-CG2 3.82Å; F228-V230 HydrophobicContact CZ-CG2 3.22Å; V230-T245 WeakPolarHBondContact O-CA 3.36Å; V230-T245 PolarHBondContact O-OG1 3.4Å; V230-N246 PolarHBondContact N-O 2.7Å; V230-N246 PolarHBondContact O-N 3.39Å; V230-N246 VanDerWaalsContact O-O 3.12Å; V230-P339 HydrophobicContact CG2-CB 3.97Å; V230-V340 HydrophobicContact CG1-CG2 4.15Å; V230-V340 HydrophobicContact CG2-CG2 3.81Å; V230-V343 HydrophobicContact CB-CG1 4.3Å; V230-V343 HydrophobicContact CB-CG2 4.44Å; V230-V343 HydrophobicContact CG1-CG1 4.34Å; V230-V343 HydrophobicContact CG1-CG2 3.68Å
231	S	98.4	Very high	95.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	137.8	173.2	-59.6	0	0	0	0	110.3	P200 V220 A244 T245	P200-S231 WeakPolarHBondContact CB-OG 3.42Å; V220-S231 PolarHBondContact N-O 3.25Å; V220-S231 PolarHBondContact O-N 3.48Å; S231-A244 WeakPolarHBondContact CA-O 3.21Å; S231-T245 PolarHBondContact OG-OG1 2.81Å
232	L	98.4	Very high	95.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	124.1	169.7	-157.2	-174.3	0	0	0	107.4	N217 I218 V243 A244 L344 S347 L349 I354	N217-L232 HydrophobicContact CB-CD2 4.18Å; I218-L232 WeakPolarHBondContact O-CA 3.32Å; L232-V243 PolarHBondContact O-N 3.21Å; L232-A244 PolarHBondContact N-O 3Å; L232-A244 PolarHBondContact O-N 2.89Å; L232-L344 HydrophobicContact CD1-CD2 4.36Å; L232-S347 VanDerWaalsContact CD1-OG 3.23Å; L232-S347 WeakPolarHBondContact CD1-OG 3.44Å; L232-L349 HydrophobicContact CD1-CB 4.21Å; L232-L349 HydrophobicContact CD1-CD1 3.62Å; L232-L349 HydrophobicContact CD1-CG 4.19Å; L232-L349 HydrophobicContact CD2-CD1 4.1Å; L232-L349 HydrophobicContact CG-CD1 4.5Å; L232-I354 HydrophobicContact CD1-CD1 4Å; L232-I354 HydrophobicContact CD2-CD1 4.3Å; L232-I354 HydrophobicContact CG-CD1 4.01Å
233	L	97.5	Very high	95.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	144.2	177.6	-56.7	92.7	0	0	0	111	A204 N217 I218 V220 E241 V242	A204-L233 HydrophobicContact CB-CD1 4.01Å; A204-L233 HydrophobicContact CB-CD2 3.55Å; A204-L233 HydrophobicContact CB-CG 4.33Å; N217-L233 CarbonylContact C-O 3.56Å; N217-L233 WeakPolarHBondContact CA-O 3.31Å; I218-L233 PolarHBondContact N-O 2.98Å; I218-L233 PolarHBondContact O-N 2.77Å; V220-L233 HydrophobicContact CB-CD1 4.41Å; V220-L233 HydrophobicContact CG2-CD1 3.74Å; L233-E241 CarbonylContact C-O 3.6Å; L233-E241 WeakPolarHBondContact CA-O 3.24Å; L233-V242 HydrophobicContact CD2-CG2 3.68Å; L233-V242 HydrophobicContact CG-CG2 4.03Å
234	T	96.4	Very high	95.5	Very high	21 Å²	21	20.4 Å²	20.4	13%	0.129	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	126.7	162.1	-57.5	0	0	0	0	107.9	E215 K216 N217 E241 V243	E215-T234 HydrophobicContact CG-CG2 3.62Å; E215-T234 WeakPolarHBondContact OE1-CG2 3.26Å; K216-T234 WeakPolarHBondContact O-CA 3.13Å; N217-T234 PolarHBondContact OD1-OG1 3.05Å; N217-T234 VanDerWaalsContact OD1-OG1 3.1Å; T234-E241 PolarHBondContact N-O 3.49Å; T234-E241 PolarHBondContact O-N 3.46Å; T234-V243 WeakPolarHBondContact OG1-CG2 3.27Å
235	I	93.9	Very high	95.5	Very high	10 Å²	10	19.9 Å²	19.9	5%	0.051	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	120.7	177.3	-54.9	-179.8	0	0	0	108.3	Y207 E215 K216 I218 V239 F240	Y207-I235 HydrophobicContact CD1-CD1 4.16Å; E215-I235 CarbonylContact C-O 3.59Å; E215-I235 VanDerWaalsContact CA-O 3.31Å; E215-I235 WeakPolarHBondContact CA-O 3.32Å; K216-I235 PolarHBondContact N-O 2.91Å; K216-I235 PolarHBondContact O-N 2.85Å; I218-I235 HydrophobicContact CB-CD1 4.23Å; I218-I235 HydrophobicContact CG1-CD1 3.49Å; I218-I235 VanDerWaalsContact CG1-CD1 3.49Å; I218-I235 HydrophobicContact CG1-CG1 3.96Å; I235-V239 WeakPolarHBondContact CA-O 3.33Å; I235-F240 HydrophobicContact CD1-CD1 3.86Å; I235-F240 HydrophobicContact CD1-CE1 3.83Å; I235-F240 HydrophobicContact CG1-CD1 3.8Å; I235-F240 HydrophobicContact CG1-CE1 4.15Å; I235-F240 HydrophobicContact CG2-CD1 4.09Å; I235-F240 HydrophobicContact CG2-CE1 3.85Å; I235-F240 HydrophobicContact CG2-CZ 4.31Å
236	D	91.9	Very high	95.4	Very high	66 Å²	66	19.6 Å²	19.6	35%	0.353	11%	0.11	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	108.5	174.1	-177.2	18.8	0	0	0	110.2	E215 G238 V239	E215-D236 HydrophobicContact CB-CB 4.19Å; E215-D236 HydrophobicContact CG-CB 4.33Å; D236-G238 VanDerWaalsContact C-N 3.33Å; D236-G238 PolarHBondContact O-N 3.16Å; D236-G238 VanDerWaalsContact O-N 3.14Å; D236-V239 PolarHBondContact N-O 3.34Å; D236-V239 WeakPolarHBondContact O-CB 3.5Å; D236-V239 PolarHBondContact O-N 3.37Å
237	N	85.6	Confident	95.3	Very high	102 Å²	102	20 Å²	20	55%	0.545	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.2	47.7	171.4	-65.1	-51.1	0	0	0	115.3
238	G	84.9	Confident	95.2	Very high	17 Å²	17	23.1 Å²	23.1	18%	0.175	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.6	-5.9	179.5	0	0	0	0	0	114.6	D236 F240 V412 V413	D236-G238 VanDerWaalsContact C-N 3.33Å; D236-G238 PolarHBondContact O-N 3.16Å; D236-G238 VanDerWaalsContact O-N 3.14Å; G238-F240 WeakPolarHBondContact O-CD2 3.23Å; G238-F240 VanDerWaalsContact O-CE2 3.31Å; G238-F240 WeakPolarHBondContact O-CE2 3.23Å; G238-V412 WeakPolarHBondContact O-CA 3.47Å; G238-V413 PolarHBondContact O-N 3.14Å
239	V	91.9	Very high	94.9	Very high	56 Å²	56	24 Å²	24	34%	0.339	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	124	167.3	-172.6	0	0	0	0	109.2	I235 D236 V413 L415	I235-V239 WeakPolarHBondContact CA-O 3.33Å; D236-V239 PolarHBondContact N-O 3.34Å; D236-V239 WeakPolarHBondContact O-CB 3.5Å; D236-V239 PolarHBondContact O-N 3.37Å; V239-V413 WeakPolarHBondContact CA-O 3.37Å; V239-V413 HydrophobicContact CG1-CB 4.47Å; V239-V413 HydrophobicContact CG2-CB 4.28Å; V239-L415 HydrophobicContact CG1-CD1 3.79Å
240	F	94.7	Very high	94.7	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.009	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	107.3	178.5	-60.4	-99.8	0	0	0	108.4	A204 I205 I235 G238 V412 V413 L414 L415	A204-F240 HydrophobicContact CB-CD1 4.44Å; A204-F240 WeakPolarHBondContact O-CE1 3.39Å; I205-F240 HydrophobicContact CG1-CD1 4.46Å; I205-F240 HydrophobicContact CG1-CG 4.49Å; I235-F240 HydrophobicContact CD1-CD1 3.86Å; I235-F240 HydrophobicContact CD1-CE1 3.83Å; I235-F240 HydrophobicContact CG1-CD1 3.8Å; I235-F240 HydrophobicContact CG1-CE1 4.15Å; I235-F240 HydrophobicContact CG2-CD1 4.09Å; I235-F240 HydrophobicContact CG2-CE1 3.85Å; I235-F240 HydrophobicContact CG2-CZ 4.31Å; G238-F240 WeakPolarHBondContact O-CD2 3.23Å; G238-F240 VanDerWaalsContact O-CE2 3.31Å; G238-F240 WeakPolarHBondContact O-CE2 3.23Å; F240-V412 HydrophobicContact CD2-CG1 4.05Å; F240-V412 HydrophobicContact CE2-CG1 3.98Å; F240-V413 PolarHBondContact N-O 3.48Å; F240-L414 HydrophobicContact CB-CD1 4.31Å; F240-L415 PolarHBondContact O-N 2.86Å
241	E	96.5	Very high	94.7	Very high	83 Å²	83	25.7 Å²	25.7	39%	0.388	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	118.1	178.3	-178.1	173.9	177.3	0	0	110.2	L233 T234 V243 L415	L233-E241 CarbonylContact C-O 3.6Å; L233-E241 WeakPolarHBondContact CA-O 3.24Å; T234-E241 PolarHBondContact N-O 3.49Å; T234-E241 PolarHBondContact O-N 3.46Å; E241-V243 PolarHBondContact O-N 2.89Å; E241-L415 WeakPolarHBondContact CA-O 3.31Å; E241-L415 HydrophobicContact CB-CB 4.32Å; E241-L415 HydrophobicContact CG-CB 4.19Å
242	V	97.5	Very high	94.7	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.006	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	117.4	171	-175.7	0	0	0	0	108.3	T201 L233 L415 D416 V417	T201-V242 HydrophobicContact CG2-CG2 4.45Å; L233-V242 HydrophobicContact CD2-CG2 3.68Å; L233-V242 HydrophobicContact CG-CG2 4.03Å; V242-L415 PolarHBondContact N-O 3.12Å; V242-D416 HydrophobicContact CG2-CB 4.43Å; V242-V417 HydrophobicContact CB-CG1 4.37Å; V242-V417 HydrophobicContact CB-CG2 4.2Å; V242-V417 HydrophobicContact CG1-CG2 3.67Å; V242-V417 WeakPolarHBondContact O-CG1 3.38Å
243	V	97.5	Very high	94.7	Very high	41 Å²	41	25.8 Å²	25.8	25%	0.248	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-43.5	179.9	-172	0	0	0	0	110.5	L232 T234 E241 S347	L232-V243 PolarHBondContact O-N 3.21Å; T234-V243 WeakPolarHBondContact OG1-CG2 3.27Å; E241-V243 PolarHBondContact O-N 2.89Å; V243-S347 WeakPolarHBondContact CG1-OG 3.45Å
244	A	97.4	Very high	94.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	152	174.6	0	0	0	0	0	112.1	S231 L232 V343 D346 S347 N438	S231-A244 WeakPolarHBondContact CA-O 3.21Å; L232-A244 PolarHBondContact N-O 3Å; L232-A244 PolarHBondContact O-N 2.89Å; A244-V343 HydrophobicContact CB-CB 4.25Å; A244-D346 HydrophobicContact CB-CB 3.75Å; A244-S347 WeakPolarHBondContact CB-OG 3.49Å; A244-N438 WeakPolarHBondContact CA-OD1 3.31Å
245	T	97.1	Very high	94.8	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.006	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	145.8	174.3	-168.9	0	0	0	0	112.2	A172 V230 S231 V417 P419 N438	A172-T245 VanDerWaalsContact CB-OG1 3.3Å; A172-T245 WeakPolarHBondContact CB-OG1 3.35Å; V230-T245 WeakPolarHBondContact O-CA 3.36Å; V230-T245 PolarHBondContact O-OG1 3.4Å; S231-T245 PolarHBondContact OG-OG1 2.81Å; T245-V417 HydrophobicContact CG2-CG2 4.05Å; T245-P419 HydrophobicContact CG2-CB 3.84Å; T245-N438 PolarHBondContact N-OD1 2.99Å
246	N	95.5	Very high	95.1	Very high	5 Å²	5	25.8 Å²	25.8	3%	0.027	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	157	173.4	-154.3	-108	0	0	0	110.4	V230 P339 K342 V343	V230-N246 PolarHBondContact N-O 2.7Å; V230-N246 PolarHBondContact O-N 3.39Å; V230-N246 VanDerWaalsContact O-O 3.12Å; N246-P339 HydrophobicContact CB-CB 4.05Å; N246-K342 HydrophobicContact CB-CB 4.46Å; N246-K342 WeakPolarHBondContact OD1-CD 3.1Å; N246-V343 HydrophobicContact CB-CG1 3.68Å
247	G	94.9	Very high	95.4	Very high	9 Å²	9	22.7 Å²	22.7	9%	0.093	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.8	-172	-178.2	0	0	0	0	0	114.2	F228	F228-G247 CarbonylContact O-C 3.43Å; F228-G247 WeakPolarHBondContact O-CA 3.46Å
248	D	94.1	Very high	96	Very high	70 Å²	70	19 Å²	19	37%	0.374	11%	0.107	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	110.4	171.4	-170.1	-24.5	0	0	0	108.7	F228 H250 L251	F228-D248 PolarHBondContact N-O 2.9Å; F228-D248 PolarHBondContact O-N 2.58Å; D248-H250 PolarHBondContact O-N 3.39Å; D248-H250 VanDerWaalsContact O-N 3.09Å; D248-H250 PolarHBondContact OD1-N 3.38Å; D248-L251 HydrophobicContact CB-CB 3.86Å; D248-L251 HydrophobicContact CB-CD2 4.41Å
249	T	92.3	Very high	96.6	Very high	19 Å²	19	22.1 Å²	22.1	12%	0.117	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	8.5	-178	63.1	0	0	0	0	113.2	R99 Y173 F174	R99-T249 PolarHBondContact NH2-O 3.45Å; R99-T249 PolarHBondContact NH2-OG1 3.18Å; Y173-T249 HydrophobicContact CD1-CG2 4.4Å; Y173-T249 WeakPolarHBondContact O-CG2 3.23Å; F174-T249 HydrophobicContact CD1-CG2 3.87Å; F174-T249 HydrophobicContact CE1-CG2 4.42Å
250	H	94.3	Very high	97	Very high	30 Å²	30	19.5 Å²	19.5	14%	0.139	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-142.3	42.1	179.6	-165.1	62.5	0	0	0	111.9	R95 D109 D248	R95-H250 PolarHBondContact NH1-CE1 3.36Å; R95-H250 VanDerWaalsContact NH1-CE1 3.34Å; D109-H250 IonicContact OD1-CE1 2.83Å; D109-H250 PolarHBondContact OD1-CE1 2.9Å; D109-H250 IonicContact OD1-NE2 3.56Å; D109-H250 IonicContact OD2-CE1 3.55Å; D109-H250 PolarHBondContact OD2-CE1 3.44Å; D109-H250 IonicContact OD2-ND1 2.76Å; D248-H250 PolarHBondContact O-N 3.39Å; D248-H250 VanDerWaalsContact O-N 3.09Å; D248-H250 PolarHBondContact OD1-N 3.38Å
251	L	97.9	Very high	97.2	Very high	7 Å²	7	19.6 Å²	19.6	4%	0.037	10%	0.098	C	C	.	.			trans	-138.9	122.1	175	175.8	62	0	0	0	110.1	G226 T227 F228 D248 D255 F256 L332 T336	G226-L251 CarbonylContact C-O 3.26Å; G226-L251 CarbonylContact O-C 3.6Å; G226-L251 PolarHBondContact O-N 3.39Å; T227-L251 CarbonylContact C-O 3.31Å; T227-L251 VanDerWaalsContact CA-O 3.24Å; T227-L251 WeakPolarHBondContact CA-O 3.3Å; T227-L251 PolarHBondContact N-O 3.31Å; F228-L251 HydrophobicContact CB-CB 4.21Å; F228-L251 HydrophobicContact CB-CD2 4.18Å; F228-L251 HydrophobicContact CB-CG 4.28Å; F228-L251 HydrophobicContact CD1-CD2 4.15Å; F228-L251 HydrophobicContact CG-CD2 4.37Å; F228-L251 PolarHBondContact N-O 3.45Å; D248-L251 HydrophobicContact CB-CB 3.86Å; D248-L251 HydrophobicContact CB-CD2 4.41Å; L251-D255 VanDerWaalsContact CA-OD2 3.27Å; L251-D255 WeakPolarHBondContact CA-OD2 3.49Å; L251-F256 HydrophobicContact CD1-CE1 4.39Å; L251-L332 HydrophobicContact CD1-CB 4.07Å; L251-L332 HydrophobicContact CD1-CD2 4.04Å; L251-L332 HydrophobicContact CD1-CG 4.47Å; L251-T336 HydrophobicContact CD2-CG2 4.05Å
252	G	98.1	Very high	97.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	-175.6	-166.6	178.7	0	0	0	0	0	115.2	G225 E254 D255 F256	G225-G252 CarbonylContact O-C 3.58Å; G225-G252 VanDerWaalsContact O-C 3.26Å; G225-G252 WeakPolarHBondContact O-CA 3.36Å; G252-E254 PolarHBondContact O-N 3.43Å; G252-D255 PolarHBondContact N-OD2 2.98Å; G252-D255 PolarHBondContact O-N 2.75Å; G252-D255 VanDerWaalsContact O-N 3.12Å; G252-F256 PolarHBondContact O-N 3.29Å
253	G	98.4	Very high	97.3	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.01	10%	0.098	C	C	.	.	H	α-helix	trans	-53.9	-31.7	179.7	0	0	0	0	0	115.6	G224 G225 F256 D257 K294 S363	G224-G253 PolarHBondContact O-N 3.49Å; G225-G253 PolarHBondContact O-N 3.4Å; G253-F256 PolarHBondContact O-N 2.93Å; G253-D257 PolarHBondContact O-N 3.35Å; G253-D257 VanDerWaalsContact O-N 3.14Å; G253-K294 PolarHBondContact O-NZ 3.39Å; G253-S363 VanDerWaalsContact CA-OG 3.32Å; G253-S363 WeakPolarHBondContact CA-OG 3.43Å; G253-S363 PolarHBondContact N-OG 2.89Å
254	E	98.3	Very high	97.4	Very high	10 Å²	10	17.8 Å²	17.8	5%	0.047	9%	0.087	C	C	.	.	H	α-helix	trans	-68.3	-36	178.5	-68.8	-56.1	115.2	0	0	112.1	T36 G225 G252 F256 D257 Q258 R287	T36-E254 HydrophobicContact CG2-CG 3.92Å; T36-E254 VanDerWaalsContact CG2-OE1 3.3Å; T36-E254 WeakPolarHBondContact CG2-OE1 3.42Å; G225-E254 WeakPolarHBondContact O-CB 3.48Å; G225-E254 WeakPolarHBondContact O-CG 3.37Å; G225-E254 PolarHBondContact O-N 2.95Å; G252-E254 PolarHBondContact O-N 3.43Å; E254-F256 VanDerWaalsContact C-N 3.29Å; E254-F256 PolarHBondContact O-N 3.11Å; E254-D257 PolarHBondContact O-N 3.02Å; E254-Q258 WeakPolarHBondContact O-CB 3.48Å; E254-Q258 PolarHBondContact O-N 3.44Å; E254-R287 IonicContact OE2-CZ 3.94Å; E254-R287 IonicContact OE2-NH1 3.84Å; E254-R287 PolarHBondContact OE2-NH1 2.98Å; E254-R287 IonicContact OE2-NH2 2.95Å
255	D	98.6	Very high	97.4	Very high	22 Å²	22	18.1 Å²	18.1	12%	0.118	9%	0.089	C	C	.	.	H	α-helix	trans	-67.4	-37	175.5	-53.3	-59.5	0	0	0	110.6	R95 L251 G252 D257 Q258 R259 L332	R95-D255 IonicContact CZ-OD1 2.93Å; R95-D255 IonicContact CZ-OD2 3.08Å; R95-D255 IonicContact NH1-OD1 2.77Å; R95-D255 PolarHBondContact NH1-OD1 3.25Å; R95-D255 IonicContact NH1-OD2 2.74Å; R95-D255 IonicContact NH2-OD1 2.82Å; R95-D255 PolarHBondContact NH2-OD1 3.25Å; R95-D255 IonicContact NH2-OD2 2.76Å; R95-D255 PolarHBondContact NH2-OD2 2.75Å; L251-D255 VanDerWaalsContact CA-OD2 3.27Å; L251-D255 WeakPolarHBondContact CA-OD2 3.49Å; G252-D255 PolarHBondContact N-OD2 2.98Å; G252-D255 PolarHBondContact O-N 2.75Å; G252-D255 VanDerWaalsContact O-N 3.12Å; D255-D257 VanDerWaalsContact C-N 3.34Å; D255-Q258 PolarHBondContact O-N 2.95Å; D255-R259 VanDerWaalsContact O-CG 3.32Å; D255-R259 WeakPolarHBondContact O-CG 3.26Å; D255-R259 PolarHBondContact O-N 3.46Å; D255-L332 HydrophobicContact CB-CD1 3.89Å
256	F	98.8	Very high	97.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65.7	-40.1	178.2	-49	-30.4	0	0	0	111.7	L223 L251 G252 G253 E254 V260 K294 F325 N329 L332 F333 I366	L223-F256 HydrophobicContact CD2-CE2 4.11Å; L223-F256 HydrophobicContact CD2-CZ 4.12Å; L251-F256 HydrophobicContact CD1-CE1 4.39Å; G252-F256 PolarHBondContact O-N 3.29Å; G253-F256 PolarHBondContact O-N 2.93Å; E254-F256 VanDerWaalsContact C-N 3.29Å; E254-F256 PolarHBondContact O-N 3.11Å; F256-V260 WeakPolarHBondContact O-CG2 3.12Å; F256-V260 PolarHBondContact O-N 3.08Å; F256-K294 HydrophobicContact CB-CD 4.29Å; F256-F325 HydrophobicContact CB-CE2 4.06Å; F256-F325 HydrophobicContact CB-CZ 4.22Å; F256-N329 WeakPolarHBondContact CA-OD1 3.43Å; F256-N329 HydrophobicContact CD1-CB 4.33Å; F256-L332 HydrophobicContact CD1-CB 4.34Å; F256-L332 HydrophobicContact CD1-CD1 3.91Å; F256-L332 HydrophobicContact CE1-CB 3.79Å; F256-L332 HydrophobicContact CE1-CD1 4.04Å; F256-F333 HydrophobicContact CD1-CD1 4.32Å; F256-F333 AromaticContact CD1-CE1 3.74Å; F256-F333 HydrophobicContact CD1-CE1 3.74Å; F256-F333 AromaticContact CD2-CE1 3.97Å; F256-F333 HydrophobicContact CD2-CE1 3.97Å; F256-F333 AromaticContact CE1-CD1 3.81Å; F256-F333 HydrophobicContact CE1-CD1 3.81Å; F256-F333 AromaticContact CE1-CE1 3.63Å; F256-F333 HydrophobicContact CE1-CE1 3.63Å; F256-F333 HydrophobicContact CE2-CD1 4.43Å; F256-F333 AromaticContact CE2-CE1 3.87Å; F256-F333 HydrophobicContact CE2-CE1 3.87Å; F256-F333 AromaticContact CG-CE1 3.94Å; F256-F333 HydrophobicContact CG-CE1 3.94Å; F256-F333 AromaticContact CZ-CD1 3.88Å; F256-F333 HydrophobicContact CZ-CD1 3.88Å; F256-F333 AromaticContact CZ-CE1 3.71Å; F256-F333 HydrophobicContact CZ-CE1 3.71Å; F256-I366 HydrophobicContact CD2-CD1 3.7Å; F256-I366 HydrophobicContact CE2-CD1 3.85Å
257	D	98.7	Very high	97.6	Very high	1 Å²	1	26 Å²	26	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-64.5	-45	173.8	-69.9	-16.8	0	0	0	110.5	G253 E254 D255 R259 V260 M261 V290 K294	G253-D257 PolarHBondContact O-N 3.35Å; G253-D257 VanDerWaalsContact O-N 3.14Å; E254-D257 PolarHBondContact O-N 3.02Å; D255-D257 VanDerWaalsContact C-N 3.34Å; D257-R259 VanDerWaalsContact C-N 3.32Å; D257-R259 PolarHBondContact O-N 2.85Å; D257-V260 PolarHBondContact O-N 3.19Å; D257-V260 VanDerWaalsContact O-N 3.07Å; D257-M261 WeakPolarHBondContact O-CG 3.43Å; D257-M261 PolarHBondContact O-N 3.47Å; D257-V290 HydrophobicContact CB-CG1 4.08Å; D257-K294 WeakPolarHBondContact OD1-CD 3.4Å; D257-K294 WeakPolarHBondContact OD1-CE 3.27Å; D257-K294 IonicContact OD1-NZ 2.79Å; D257-K294 PolarHBondContact OD1-NZ 3Å; D257-K294 IonicContact OD2-NZ 2.9Å; D257-K294 PolarHBondContact OD2-NZ 3.15Å
258	Q	98.4	Very high	97.8	Very high	25 Å²	25	26 Å²	26	12%	0.117	12%	0.121	C	C	.	.	H	α-helix	trans	-61	-38.5	179.7	-170.5	58.6	31.2	0	0	112.6	Y112 E254 D255 V260 M261 E262	Y112-Q258 HydrophobicContact CD1-CG 4.45Å; Y112-Q258 HydrophobicContact CD2-CG 4.43Å; Y112-Q258 HydrophobicContact CG-CG 4.37Å; E254-Q258 WeakPolarHBondContact O-CB 3.48Å; E254-Q258 PolarHBondContact O-N 3.44Å; D255-Q258 PolarHBondContact O-N 2.95Å; Q258-V260 VanDerWaalsContact C-N 3.32Å; Q258-V260 PolarHBondContact O-N 3.36Å; Q258-M261 PolarHBondContact O-N 3.43Å; Q258-E262 WeakPolarHBondContact O-CB 3.5Å; Q258-E262 WeakPolarHBondContact O-CG 3.31Å; Q258-E262 PolarHBondContact O-N 2.78Å
259	R	98.7	Very high	97.9	Very high	82 Å²	82	27 Å²	27	31%	0.309	12%	0.123	S	C	.	.	H	α-helix	trans	-61.4	-39.9	174.3	-68.8	-64.7	-173	83.6	-1.9	112.4	D255 D257 H263 L328 N329 D331 L332	D255-R259 VanDerWaalsContact O-CG 3.32Å; D255-R259 WeakPolarHBondContact O-CG 3.26Å; D255-R259 PolarHBondContact O-N 3.46Å; D257-R259 VanDerWaalsContact C-N 3.32Å; D257-R259 PolarHBondContact O-N 2.85Å; R259-H263 PolarHBondContact O-N 2.9Å; R259-H263 VanDerWaalsContact O-N 3.15Å; R259-L328 HydrophobicContact CB-CB 4.48Å; R259-L328 PolarHBondContact NH1-O 2.84Å; R259-N329 VanDerWaalsContact CB-OD1 3.3Å; R259-N329 WeakPolarHBondContact CB-OD1 3.33Å; R259-N329 VanDerWaalsContact CG-OD1 3.24Å; R259-N329 WeakPolarHBondContact CG-OD1 3.26Å; R259-D331 IonicContact CZ-OD1 3.64Å; R259-D331 IonicContact CZ-OD2 3.59Å; R259-D331 IonicContact NH1-OD1 3Å; R259-D331 PolarHBondContact NH1-OD1 3.23Å; R259-D331 IonicContact NH1-OD2 2.66Å; R259-D331 PolarHBondContact NH1-OD2 3.33Å; R259-D331 IonicContact NH2-OD1 2.68Å; R259-D331 IonicContact NH2-OD2 3.53Å; R259-D331 PolarHBondContact NH2-OD2 3.4Å; R259-L332 HydrophobicContact CG-CD1 4.13Å
260	V	98.8	Very high	98.2	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.006	16%	0.155	C	C	.	.	H	α-helix	trans	-73.4	-41.2	178.8	177.2	0	0	0	0	111	F256 D257 Q258 E262 H263 F264 V290 L320 F325 L328	F256-V260 WeakPolarHBondContact O-CG2 3.12Å; F256-V260 PolarHBondContact O-N 3.08Å; D257-V260 PolarHBondContact O-N 3.19Å; D257-V260 VanDerWaalsContact O-N 3.07Å; Q258-V260 VanDerWaalsContact C-N 3.32Å; Q258-V260 PolarHBondContact O-N 3.36Å; V260-E262 PolarHBondContact O-N 3Å; V260-H263 WeakPolarHBondContact O-CB 3.46Å; V260-H263 PolarHBondContact O-N 2.8Å; V260-F264 HydrophobicContact CG1-CD2 3.65Å; V260-F264 HydrophobicContact CG1-CE2 3.48Å; V260-F264 VanDerWaalsContact CG1-CE2 3.48Å; V260-F264 WeakPolarHBondContact O-CD2 3.34Å; V260-F264 PolarHBondContact O-N 3.4Å; V260-V290 HydrophobicContact CB-CG1 3.69Å; V260-V290 HydrophobicContact CG1-CB 4.4Å; V260-V290 HydrophobicContact CG1-CG1 3.62Å; V260-V290 HydrophobicContact CG1-CG2 3.92Å; V260-L320 HydrophobicContact CG1-CD1 4.31Å; V260-L320 HydrophobicContact CG1-CD2 3.7Å; V260-L320 HydrophobicContact CG2-CD2 4.36Å; V260-F325 HydrophobicContact CG2-CD2 3.67Å; V260-F325 HydrophobicContact CG2-CE2 4.15Å; V260-L328 HydrophobicContact CG2-CD1 4.19Å
261	M	98.7	Very high	98.4	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.015	17%	0.174	C	C	.	.	H	α-helix	trans	-57.9	-49.2	173.3	-71	171.3	60.4	0	0	111	D257 Q258 H263 F264 I265 V283 L286 R287 V290	D257-M261 WeakPolarHBondContact O-CG 3.43Å; D257-M261 PolarHBondContact O-N 3.47Å; Q258-M261 PolarHBondContact O-N 3.43Å; M261-H263 VanDerWaalsContact C-N 3.27Å; M261-H263 PolarHBondContact O-N 2.91Å; M261-F264 PolarHBondContact O-N 2.85Å; M261-F264 VanDerWaalsContact O-N 3.13Å; M261-I265 WeakPolarHBondContact O-CB 3.31Å; M261-I265 VanDerWaalsContact O-CG1 3.24Å; M261-I265 WeakPolarHBondContact O-CG1 3.39Å; M261-I265 PolarHBondContact O-N 2.95Å; M261-V283 HydrophobicContact CE-CG1 3.69Å; M261-L286 HydrophobicContact CB-CD2 4.48Å; M261-L286 HydrophobicContact CG-CG 4.45Å; M261-R287 HydrophobicContact CE-CB 3.82Å; M261-R287 HydrophobicContact CE-CG 4.43Å; M261-R287 HydrophobicContact SD-CB 3.67Å; M261-R287 HydrophobicContact SD-CG 3.87Å; M261-V290 HydrophobicContact CG-CB 4.26Å; M261-V290 HydrophobicContact CG-CG1 4.21Å; M261-V290 HydrophobicContact CG-CG2 4.09Å
262	E	98.5	Very high	98.3	Very high	36 Å²	36	41.2 Å²	41.2	17%	0.168	19%	0.186	C	C	.	.	H	α-helix	trans	-58.2	-38.9	176.4	-81.2	-64.8	139	0	0	112.6	Q258 V260 K266	Q258-E262 WeakPolarHBondContact O-CB 3.5Å; Q258-E262 WeakPolarHBondContact O-CG 3.31Å; Q258-E262 PolarHBondContact O-N 2.78Å; V260-E262 PolarHBondContact O-N 3Å; E262-K266 WeakPolarHBondContact O-CB 3.49Å; E262-K266 WeakPolarHBondContact O-CD 3.22Å; E262-K266 VanDerWaalsContact O-CG 3.22Å; E262-K266 WeakPolarHBondContact O-CG 3.25Å; E262-K266 PolarHBondContact O-N 3.11Å; E262-K266 VanDerWaalsContact O-N 3.14Å; E262-K266 WeakPolarHBondContact OE2-CE 3.04Å; E262-K266 IonicContact OE2-NZ 3.39Å
263	H	98.7	Very high	98.2	Very high	50 Å²	50	44.1 Å²	44.1	23%	0.231	22%	0.216	C	C	.	.	H	α-helix	trans	-61.1	-49.5	174.1	174.5	64.6	0	0	0	111.7	R259 V260 M261 K266 L267 L328	R259-H263 PolarHBondContact O-N 2.9Å; R259-H263 VanDerWaalsContact O-N 3.15Å; V260-H263 WeakPolarHBondContact O-CB 3.46Å; V260-H263 PolarHBondContact O-N 2.8Å; M261-H263 VanDerWaalsContact C-N 3.27Å; M261-H263 PolarHBondContact O-N 2.91Å; H263-K266 PolarHBondContact O-N 3.45Å; H263-L267 WeakPolarHBondContact O-CB 3.18Å; H263-L267 PolarHBondContact O-N 3.1Å; H263-L328 HydrophobicContact CB-CD1 3.74Å; H263-L328 HydrophobicContact CB-CD2 3.98Å
264	F	98.8	Very high	98.1	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.009	23%	0.226	C	C	.	.	H	α-helix	trans	-72.1	-35.3	-177.8	-76.4	-53.6	0	0	0	113.8	V260 M261 K266 L267 Y268 L286 V290 I305 F316 E318 L320	V260-F264 HydrophobicContact CG1-CD2 3.65Å; V260-F264 HydrophobicContact CG1-CE2 3.48Å; V260-F264 VanDerWaalsContact CG1-CE2 3.48Å; V260-F264 WeakPolarHBondContact O-CD2 3.34Å; V260-F264 PolarHBondContact O-N 3.4Å; M261-F264 PolarHBondContact O-N 2.85Å; M261-F264 VanDerWaalsContact O-N 3.13Å; F264-K266 VanDerWaalsContact C-N 3.33Å; F264-K266 PolarHBondContact O-N 2.96Å; F264-L267 HydrophobicContact CD1-CD2 4.01Å; F264-L267 HydrophobicContact CE1-CD2 4.22Å; F264-L267 PolarHBondContact O-N 2.52Å; F264-Y268 WeakPolarHBondContact O-CB 3.45Å; F264-Y268 PolarHBondContact O-N 2.83Å; F264-L286 HydrophobicContact CB-CD1 4.2Å; F264-L286 HydrophobicContact CB-CD2 4.22Å; F264-V290 HydrophobicContact CD2-CG2 4.18Å; F264-I305 HydrophobicContact CD2-CD1 3.96Å; F264-I305 HydrophobicContact CE2-CD1 3.28Å; F264-I305 HydrophobicContact CZ-CD1 3.78Å; F264-F316 HydrophobicContact CB-CE2 4.43Å; F264-F316 HydrophobicContact CB-CZ 3.9Å; F264-F316 HydrophobicContact CD1-CE1 4.48Å; F264-F316 AromaticContact CD1-CZ 3.68Å; F264-F316 HydrophobicContact CD1-CZ 3.68Å; F264-F316 HydrophobicContact CE1-CZ 4.41Å; F264-F316 AromaticContact CG-CZ 3.86Å; F264-F316 HydrophobicContact CG-CZ 3.86Å; F264-E318 HydrophobicContact CD1-CB 4.14Å; F264-E318 HydrophobicContact CD1-CG 4.25Å; F264-E318 HydrophobicContact CE1-CB 3.65Å; F264-E318 HydrophobicContact CE1-CG 4.21Å; F264-E318 HydrophobicContact CZ-CB 4.42Å; F264-L320 HydrophobicContact CE2-CB 4.24Å; F264-L320 HydrophobicContact CE2-CD1 4.06Å; F264-L320 HydrophobicContact CE2-CD2 4.34Å; F264-L320 HydrophobicContact CE2-CG 4.44Å; F264-L320 HydrophobicContact CZ-CB 3.89Å; F264-L320 HydrophobicContact CZ-CD1 3.91Å; F264-L320 HydrophobicContact CZ-CG 4.37Å
265	I	98.5	Very high	98.1	Very high	7 Å²	7	47.3 Å²	47.3	4%	0.036	23%	0.231	C	C	.	.	H	α-helix	trans	-59.7	-46	172.4	-70.9	165.7	0	0	0	110.1	M261 K269 V276 R277 L286	M261-I265 WeakPolarHBondContact O-CB 3.31Å; M261-I265 VanDerWaalsContact O-CG1 3.24Å; M261-I265 WeakPolarHBondContact O-CG1 3.39Å; M261-I265 PolarHBondContact O-N 2.95Å; I265-K269 WeakPolarHBondContact O-CB 3.37Å; I265-K269 PolarHBondContact O-N 3.2Å; I265-V276 HydrophobicContact CG1-CG2 3.89Å; I265-V276 HydrophobicContact CG2-CG2 4.34Å; I265-R277 HydrophobicContact CD1-CG 4.09Å; I265-R277 HydrophobicContact CG2-CG 3.73Å; I265-L286 HydrophobicContact CD1-CD2 4.41Å; I265-L286 HydrophobicContact CG1-CD2 3.82Å
266	K	98.5	Very high	98	Very high	131 Å²	131	46.3 Å²	46.3	57%	0.57	23%	0.226	S	C	*	.	H	α-helix	trans	-65.6	-40.7	176.8	-71.8	168.2	-170.6	164.5	0	111.9	E262 H263 F264 K270	E262-K266 WeakPolarHBondContact O-CB 3.49Å; E262-K266 WeakPolarHBondContact O-CD 3.22Å; E262-K266 VanDerWaalsContact O-CG 3.22Å; E262-K266 WeakPolarHBondContact O-CG 3.25Å; E262-K266 PolarHBondContact O-N 3.11Å; E262-K266 VanDerWaalsContact O-N 3.14Å; E262-K266 WeakPolarHBondContact OE2-CE 3.04Å; E262-K266 IonicContact OE2-NZ 3.39Å; H263-K266 PolarHBondContact O-N 3.45Å; F264-K266 VanDerWaalsContact C-N 3.33Å; F264-K266 PolarHBondContact O-N 2.96Å; K266-K270 WeakPolarHBondContact O-CB 3.23Å; K266-K270 PolarHBondContact O-N 3.27Å
267	L	98.1	Very high	97.8	Very high	41 Å²	41	52.5 Å²	52.5	22%	0.215	25%	0.249	C	C	.	.	H	α-helix	trans	-63.6	-47.4	177.6	-175.8	65.6	0	0	0	111.3	H263 F264 K270 K271 E318	H263-L267 WeakPolarHBondContact O-CB 3.18Å; H263-L267 PolarHBondContact O-N 3.1Å; F264-L267 HydrophobicContact CD1-CD2 4.01Å; F264-L267 HydrophobicContact CE1-CD2 4.22Å; F264-L267 PolarHBondContact O-N 2.52Å; L267-K270 WeakPolarHBondContact O-CB 3.41Å; L267-K270 PolarHBondContact O-N 3.11Å; L267-K271 HydrophobicContact CG-CD 4.46Å; L267-K271 WeakPolarHBondContact O-CG 3.39Å; L267-K271 PolarHBondContact O-N 2.93Å; L267-E318 HydrophobicContact CD2-CG 4.11Å
268	Y	98	Very high	97.5	Very high	7 Å²	7	61.5 Å²	61.5	3%	0.027	29%	0.288	C	S	.	.	H	α-helix	trans	-58.9	-50.8	177.6	-170.2	-99.9	0	0	0	110.6	F264 K270 K271 T272 K274 V276 F310 F311 E314 F316	F264-Y268 WeakPolarHBondContact O-CB 3.45Å; F264-Y268 PolarHBondContact O-N 2.83Å; Y268-K270 PolarHBondContact O-N 2.83Å; Y268-K271 PolarHBondContact O-N 3.22Å; Y268-T272 WeakPolarHBondContact CD1-OG1 3.5Å; Y268-T272 HydrophobicContact CD2-CG2 4.12Å; Y268-T272 HydrophobicContact CE1-CG2 4.24Å; Y268-T272 WeakPolarHBondContact CE1-OG1 3.46Å; Y268-T272 HydrophobicContact CE2-CG2 3.81Å; Y268-T272 HydrophobicContact CG-CG2 4.49Å; Y268-T272 PolarHBondContact O-N 2.98Å; Y268-T272 PolarHBondContact O-OG1 2.66Å; Y268-K274 HydrophobicContact CE1-CB 4.01Å; Y268-V276 HydrophobicContact CD1-CG1 3.48Å; Y268-V276 VanDerWaalsContact CD1-CG1 3.48Å; Y268-V276 HydrophobicContact CE1-CG1 3.48Å; Y268-V276 VanDerWaalsContact CE1-CG1 3.48Å; Y268-V276 HydrophobicContact CG-CG1 4.4Å; Y268-F310 HydrophobicContact CD1-CE1 4.41Å; Y268-F310 HydrophobicContact CD2-CD1 4.26Å; Y268-F310 HydrophobicContact CD2-CE1 4.15Å; Y268-F310 HydrophobicContact CE1-CD1 4.49Å; Y268-F310 HydrophobicContact CE1-CE1 4.4Å; Y268-F310 AromaticContact CE2-CD1 3.83Å; Y268-F310 HydrophobicContact CE2-CD1 3.83Å; Y268-F310 HydrophobicContact CE2-CE1 4.14Å; Y268-F310 HydrophobicContact CG-CE1 4.25Å; Y268-F310 AromaticContact CZ-CD1 3.95Å; Y268-F311 HydrophobicContact CE1-CB 4.32Å; Y268-F311 HydrophobicContact CE1-CD1 4.27Å; Y268-E314 PolarHBondContact OH-OE2 2.88Å; Y268-F316 AromaticContact CD2-CD2 3.61Å; Y268-F316 HydrophobicContact CD2-CD2 3.61Å; Y268-F316 HydrophobicContact CD2-CE2 4.03Å; Y268-F316 HydrophobicContact CE2-CD2 4.12Å; Y268-F316 HydrophobicContact CG-CD2 4.46Å
269	K	97.9	Very high	97.5	Very high	93 Å²	93	62.9 Å²	62.9	40%	0.404	30%	0.296	S	S	.	.	H	α-helix	trans	-57.5	-37.3	176.3	-172.8	174.1	-174.4	169.8	0	112.9	I265 G273 K274 D275	I265-K269 WeakPolarHBondContact O-CB 3.37Å; I265-K269 PolarHBondContact O-N 3.2Å; K269-G273 WeakPolarHBondContact O-CA 3.42Å; K269-G273 PolarHBondContact O-N 2.83Å; K269-K274 WeakPolarHBondContact CA-O 3.37Å; K269-K274 WeakPolarHBondContact CB-O 3.48Å; K269-D275 HydrophobicContact CD-CB 4.1Å; K269-D275 IonicContact NZ-OD2 2.84Å; K269-D275 PolarHBondContact NZ-OD2 3.29Å
270	K	97.9	Very high	97.4	Very high	181 Å²	181	61.5 Å²	61.5	79%	0.787	30%	0.295	S	S	*	.	H	α-helix	trans	-67.7	-37.1	175.5	-176.9	-178.8	176.7	-176.2	0	112.5	K266 L267 Y268	K266-K270 WeakPolarHBondContact O-CB 3.23Å; K266-K270 PolarHBondContact O-N 3.27Å; L267-K270 WeakPolarHBondContact O-CB 3.41Å; L267-K270 PolarHBondContact O-N 3.11Å; Y268-K270 PolarHBondContact O-N 2.83Å
271	K	97.3	Very high	97.3	Very high	123 Å²	123	68 Å²	68	54%	0.535	32%	0.319	S	S	.	.	H	α-helix	trans	-81	-42.2	-177.6	-71.6	-172.7	-177.5	-173.9	0	113.1	L267 Y268 E318	L267-K271 HydrophobicContact CG-CD 4.46Å; L267-K271 WeakPolarHBondContact O-CG 3.39Å; L267-K271 PolarHBondContact O-N 2.93Å; Y268-K271 PolarHBondContact O-N 3.22Å; K271-E318 WeakPolarHBondContact CE-OE1 3.48Å; K271-E318 IonicContact NZ-OE1 3.98Å; K271-E318 PolarHBondContact NZ-OE1 3.11Å; K271-E318 IonicContact NZ-OE2 2.57Å; K271-E318 PolarHBondContact NZ-OE2 3.14Å
272	T	96.5	Very high	97.3	Very high	50 Å²	50	67.8 Å²	67.8	31%	0.307	32%	0.318	S	S	.	.	H	α-helix	trans	-108	-14.9	-171.3	66.9	0	0	0	0	113.3	Y268 K274	Y268-T272 WeakPolarHBondContact CD1-OG1 3.5Å; Y268-T272 HydrophobicContact CD2-CG2 4.12Å; Y268-T272 HydrophobicContact CE1-CG2 4.24Å; Y268-T272 WeakPolarHBondContact CE1-OG1 3.46Å; Y268-T272 HydrophobicContact CE2-CG2 3.81Å; Y268-T272 HydrophobicContact CG-CG2 4.49Å; Y268-T272 PolarHBondContact O-N 2.98Å; Y268-T272 PolarHBondContact O-OG1 2.66Å; T272-K274 PolarHBondContact O-N 2.93Å; T272-K274 PolarHBondContact OG1-N 3.37Å
273	G	96.9	Very high	97.3	Very high	60 Å²	60	67 Å²	67	62%	0.619	32%	0.316	S	S	*	.	S	Bend	trans	78.2	-4.2	-171.6	0	0	0	0	0	114.3	K269	K269-G273 WeakPolarHBondContact O-CA 3.42Å; K269-G273 PolarHBondContact O-N 2.83Å
274	K	96.7	Very high	97.2	Very high	50 Å²	50	64.7 Å²	64.7	22%	0.217	31%	0.305	C	S	.	.			trans	-97.5	140.2	-172.8	-58.9	-180	-178.2	-172.9	0	112.2	Y268 K269 T272 F311 E312 E314	Y268-K274 HydrophobicContact CE1-CB 4.01Å; K269-K274 WeakPolarHBondContact CA-O 3.37Å; K269-K274 WeakPolarHBondContact CB-O 3.48Å; T272-K274 PolarHBondContact O-N 2.93Å; T272-K274 PolarHBondContact OG1-N 3.37Å; K274-F311 HydrophobicContact CB-CD1 4.07Å; K274-F311 HydrophobicContact CB-CE1 3.89Å; K274-F311 HydrophobicContact CD-CD1 4Å; K274-F311 HydrophobicContact CD-CE1 4.1Å; K274-F311 HydrophobicContact CG-CE1 4.45Å; K274-E312 VanDerWaalsContact CD-OE2 3.31Å; K274-E312 WeakPolarHBondContact CD-OE2 3.44Å; K274-E312 WeakPolarHBondContact CE-OE2 3.3Å; K274-E312 IonicContact NZ-OE2 3Å; K274-E312 PolarHBondContact NZ-OE2 3Å; K274-E314 WeakPolarHBondContact CE-OE1 3.46Å; K274-E314 IonicContact NZ-OE1 3.05Å; K274-E314 PolarHBondContact NZ-OE1 2.76Å; K274-E314 IonicContact NZ-OE2 3.57Å
275	D	96.6	Very high	97.2	Very high	29 Å²	29	66.1 Å²	66.1	16%	0.155	31%	0.311	C	S	.	.			trans	-108.8	101.8	-178.8	-163	-27.4	0	0	0	110.7	K269 R277	K269-D275 HydrophobicContact CD-CB 4.1Å; K269-D275 IonicContact NZ-OD2 2.84Å; K269-D275 PolarHBondContact NZ-OD2 3.29Å; D275-R277 PolarHBondContact O-N 3.45Å; D275-R277 WeakPolarHBondContact OD1-CB 3.44Å; D275-R277 IonicContact OD1-CZ 3.64Å; D275-R277 PolarHBondContact OD1-N 2.82Å; D275-R277 IonicContact OD1-NE 3.24Å; D275-R277 PolarHBondContact OD1-NE 3.38Å; D275-R277 IonicContact OD1-NH2 2.6Å; D275-R277 IonicContact OD2-CZ 3.57Å; D275-R277 IonicContact OD2-NE 3.35Å; D275-R277 IonicContact OD2-NH2 3.81Å; D275-R277 PolarHBondContact OD2-NH2 3.12Å
276	V	97.2	Very high	97.2	Very high	1 Å²	1	65.8 Å²	65.8	1%	0.006	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-73.1	-9.8	-172.6	-57.2	0	0	0	0	114.3	I265 Y268 K278 D279 A282 F310 F311	I265-V276 HydrophobicContact CG1-CG2 3.89Å; I265-V276 HydrophobicContact CG2-CG2 4.34Å; Y268-V276 HydrophobicContact CD1-CG1 3.48Å; Y268-V276 VanDerWaalsContact CD1-CG1 3.48Å; Y268-V276 HydrophobicContact CE1-CG1 3.48Å; Y268-V276 VanDerWaalsContact CE1-CG1 3.48Å; Y268-V276 HydrophobicContact CG-CG1 4.4Å; V276-K278 PolarHBondContact O-N 2.92Å; V276-D279 PolarHBondContact O-N 3.22Å; V276-A282 HydrophobicContact CB-CB 4.45Å; V276-F310 HydrophobicContact CB-CE1 4.35Å; V276-F310 HydrophobicContact CB-CZ 4.3Å; V276-F310 HydrophobicContact CG1-CD1 4.43Å; V276-F310 HydrophobicContact CG1-CE1 3.67Å; V276-F310 HydrophobicContact CG1-CZ 4.12Å; V276-F310 HydrophobicContact CG2-CE1 4.35Å; V276-F310 HydrophobicContact CG2-CZ 4.08Å; V276-F311 HydrophobicContact CB-CD2 4.19Å; V276-F311 HydrophobicContact CB-CG 4.4Å; V276-F311 HydrophobicContact CG1-CB 3.79Å; V276-F311 HydrophobicContact CG1-CD1 4.01Å; V276-F311 HydrophobicContact CG1-CD2 3.92Å; V276-F311 HydrophobicContact CG1-CG 3.63Å
277	R	95.4	Very high	97.2	Very high	130 Å²	130	60.3 Å²	60.3	49%	0.491	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-62.7	-11.8	-178.4	-68.3	177.9	-69	173.2	6.3	114.1	I265 D275	I265-R277 HydrophobicContact CD1-CG 4.09Å; I265-R277 HydrophobicContact CG2-CG 3.73Å; D275-R277 PolarHBondContact O-N 3.45Å; D275-R277 WeakPolarHBondContact OD1-CB 3.44Å; D275-R277 IonicContact OD1-CZ 3.64Å; D275-R277 PolarHBondContact OD1-N 2.82Å; D275-R277 IonicContact OD1-NE 3.24Å; D275-R277 PolarHBondContact OD1-NE 3.38Å; D275-R277 IonicContact OD1-NH2 2.6Å; D275-R277 IonicContact OD2-CZ 3.57Å; D275-R277 IonicContact OD2-NE 3.35Å; D275-R277 IonicContact OD2-NH2 3.81Å; D275-R277 PolarHBondContact OD2-NH2 3.12Å
278	K	92.3	Very high	97.2	Very high	189 Å²	189	62.8 Å²	62.8	82%	0.822	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-85.1	-9.9	176.4	-61.2	179.9	179.1	-178.9	0	113.2	V276	V276-K278 PolarHBondContact O-N 2.92Å
279	D	97	Very high	97.2	Very high	55 Å²	55	64 Å²	64	29%	0.294	30%	0.298	S	S	.	.			trans	-118.1	102.3	-178.8	179.8	-19.2	0	0	0	109.3	V276 R281 A282 V283 F311	V276-D279 PolarHBondContact O-N 3.22Å; D279-R281 PolarHBondContact O-N 3.05Å; D279-R281 WeakPolarHBondContact OD1-CA 3.42Å; D279-R281 VanDerWaalsContact OD1-CB 3.3Å; D279-R281 WeakPolarHBondContact OD1-CB 3.24Å; D279-R281 PolarHBondContact OD1-N 3.23Å; D279-A282 HydrophobicContact CB-CB 3.94Å; D279-A282 PolarHBondContact O-N 3.41Å; D279-A282 PolarHBondContact OD1-N 3.48Å; D279-V283 WeakPolarHBondContact O-CG2 3.29Å; D279-V283 PolarHBondContact O-N 2.85Å; D279-F311 HydrophobicContact CB-CD2 3.92Å; D279-F311 HydrophobicContact CB-CE2 3.61Å
280	N	96.8	Very high	97.3	Very high	52 Å²	52	59.6 Å²	59.6	28%	0.278	28%	0.279	S	S	.	.	H	α-helix	trans	-56.5	-38.8	179.1	-79.5	-24.4	0	0	0	111.7	P86 E87 V283 Q284	P86-N280 HydrophobicContact CB-CB 4.09Å; P86-N280 HydrophobicContact CG-CB 3.77Å; E87-N280 PolarHBondContact OE1-ND2 3.41Å; N280-V283 PolarHBondContact O-N 3.4Å; N280-Q284 WeakPolarHBondContact O-CB 3.3Å; N280-Q284 VanDerWaalsContact O-CG 3.27Å; N280-Q284 WeakPolarHBondContact O-CG 3.31Å; N280-Q284 PolarHBondContact O-N 2.98Å
281	R	97.1	Very high	97.3	Very high	137 Å²	137	51.9 Å²	51.9	52%	0.517	25%	0.246	S	C	.	.	H	α-helix	trans	-65.6	-44.6	179.6	172.1	167.7	-164.7	-159.9	4.6	111.3	T83 D279 Q284 K285	T83-R281 VanDerWaalsContact O-CG 3.23Å; T83-R281 WeakPolarHBondContact O-CG 3.46Å; D279-R281 PolarHBondContact O-N 3.05Å; D279-R281 WeakPolarHBondContact OD1-CA 3.42Å; D279-R281 VanDerWaalsContact OD1-CB 3.3Å; D279-R281 WeakPolarHBondContact OD1-CB 3.24Å; D279-R281 PolarHBondContact OD1-N 3.23Å; R281-Q284 PolarHBondContact O-N 3.03Å; R281-K285 WeakPolarHBondContact O-CG 3.36Å; R281-K285 PolarHBondContact O-N 2.83Å
282	A	98	Very high	97.3	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.4	-48.4	174.6	0	0	0	0	0	111	V276 D279 Q284 K285 L286 F310 F311	V276-A282 HydrophobicContact CB-CB 4.45Å; D279-A282 HydrophobicContact CB-CB 3.94Å; D279-A282 PolarHBondContact O-N 3.41Å; D279-A282 PolarHBondContact OD1-N 3.48Å; A282-Q284 VanDerWaalsContact C-N 3.33Å; A282-Q284 PolarHBondContact O-N 2.78Å; A282-K285 PolarHBondContact O-N 2.86Å; A282-L286 PolarHBondContact O-N 2.97Å; A282-F310 HydrophobicContact CB-CD2 4.38Å; A282-F310 HydrophobicContact CB-CE2 4.07Å; A282-F310 HydrophobicContact CB-CZ 4.47Å; A282-F310 WeakPolarHBondContact CB-O 3.41Å; A282-F310 VanDerWaalsContact O-CE2 3.24Å; A282-F310 WeakPolarHBondContact O-CE2 3.31Å; A282-F311 HydrophobicContact CB-CD2 4.08Å
283	V	98.3	Very high	97.4	Very high	19 Å²	19	48.9 Å²	48.9	12%	0.115	23%	0.229	C	C	.	.	H	α-helix	trans	-59.5	-41.8	178.7	175.1	0	0	0	0	111.8	M261 D279 N280 L286 R287	M261-V283 HydrophobicContact CE-CG1 3.69Å; D279-V283 WeakPolarHBondContact O-CG2 3.29Å; D279-V283 PolarHBondContact O-N 2.85Å; N280-V283 PolarHBondContact O-N 3.4Å; V283-L286 WeakPolarHBondContact O-CB 3.33Å; V283-L286 PolarHBondContact O-N 2.68Å; V283-R287 PolarHBondContact O-N 3.34Å
284	Q	98.3	Very high	97.5	Very high	1 Å²	1	47 Å²	47	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-70.6	-35.9	178.1	-65.1	-37.8	-58.4	0	0	112.9	L82 T83 P86 P114 N280 R281 A282 L286 R287 R288	L82-Q284 HydrophobicContact CD1-CG 4.14Å; L82-Q284 HydrophobicContact CD2-CB 4.47Å; L82-Q284 HydrophobicContact CG-CB 4.21Å; L82-Q284 HydrophobicContact CG-CG 4.14Å; T83-Q284 HydrophobicContact CG2-CB 4.16Å; P86-Q284 HydrophobicContact CB-CG 3.7Å; P114-Q284 HydrophobicContact CB-CG 4.5Å; P114-Q284 HydrophobicContact CG-CG 4.49Å; N280-Q284 WeakPolarHBondContact O-CB 3.3Å; N280-Q284 VanDerWaalsContact O-CG 3.27Å; N280-Q284 WeakPolarHBondContact O-CG 3.31Å; N280-Q284 PolarHBondContact O-N 2.98Å; R281-Q284 PolarHBondContact O-N 3.03Å; A282-Q284 VanDerWaalsContact C-N 3.33Å; A282-Q284 PolarHBondContact O-N 2.78Å; Q284-L286 VanDerWaalsContact C-N 3.3Å; Q284-L286 PolarHBondContact O-N 3.19Å; Q284-R287 PolarHBondContact O-N 2.84Å; Q284-R288 PolarHBondContact O-N 3.47Å; Q284-R288 VanDerWaalsContact O-N 3.08Å
285	K	98.3	Very high	97.6	Very high	32 Å²	32	50.2 Å²	50.2	14%	0.139	22%	0.215	C	C	.	.	H	α-helix	trans	-58.4	-45.4	169.9	-73.9	179.6	177.1	-171.2	0	110.5	T83 R281 A282 R288 E289 I307 E308 S309	T83-K285 HydrophobicContact CG2-CG 4.11Å; R281-K285 WeakPolarHBondContact O-CG 3.36Å; R281-K285 PolarHBondContact O-N 2.83Å; A282-K285 PolarHBondContact O-N 2.86Å; K285-R288 PolarHBondContact O-N 3.38Å; K285-E289 PolarHBondContact O-N 3.43Å; K285-I307 HydrophobicContact CB-CD1 4.39Å; K285-I307 HydrophobicContact CB-CG2 4.01Å; K285-I307 HydrophobicContact CD-CG2 3.77Å; K285-I307 HydrophobicContact CG-CG2 4.43Å; K285-E308 PolarHBondContact NZ-O 3.03Å; K285-S309 PolarHBondContact NZ-O 2.96Å
286	L	98.6	Very high	97.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.2	-48.3	177.6	-179.1	63.1	0	0	0	111.8	M261 F264 I265 A282 V283 Q284 R288 E289 V290 I307 F310 F316	M261-L286 HydrophobicContact CB-CD2 4.48Å; M261-L286 HydrophobicContact CG-CG 4.45Å; F264-L286 HydrophobicContact CB-CD1 4.2Å; F264-L286 HydrophobicContact CB-CD2 4.22Å; I265-L286 HydrophobicContact CD1-CD2 4.41Å; I265-L286 HydrophobicContact CG1-CD2 3.82Å; A282-L286 PolarHBondContact O-N 2.97Å; V283-L286 WeakPolarHBondContact O-CB 3.33Å; V283-L286 PolarHBondContact O-N 2.68Å; Q284-L286 VanDerWaalsContact C-N 3.3Å; Q284-L286 PolarHBondContact O-N 3.19Å; L286-R288 VanDerWaalsContact C-N 3.31Å; L286-R288 PolarHBondContact O-N 3.23Å; L286-E289 PolarHBondContact O-N 2.69Å; L286-V290 HydrophobicContact CD1-CG2 3.89Å; L286-V290 HydrophobicContact CG-CG2 4.07Å; L286-V290 WeakPolarHBondContact O-CB 3.33Å; L286-V290 VanDerWaalsContact O-CG2 3.26Å; L286-V290 WeakPolarHBondContact O-CG2 3.39Å; L286-V290 PolarHBondContact O-N 3.2Å; L286-I307 HydrophobicContact CB-CD1 4.34Å; L286-I307 HydrophobicContact CD1-CD1 4.26Å; L286-F310 HydrophobicContact CB-CE2 3.89Å; L286-F310 HydrophobicContact CB-CZ 4.18Å; L286-F310 HydrophobicContact CD2-CZ 4.41Å; L286-F316 HydrophobicContact CD1-CE1 4.29Å; L286-F316 HydrophobicContact CD1-CZ 4.33Å
287	R	98.5	Very high	97.7	Very high	16 Å²	16	50.5 Å²	50.5	6%	0.06	22%	0.22	C	C	.	.	H	α-helix	trans	-52.6	-48.8	177.6	178.2	-178.4	-96.5	-97.8	1.7	111.7	E254 M261 V283 Q284 E289 V290 E291	E254-R287 IonicContact OE2-CZ 3.94Å; E254-R287 IonicContact OE2-NH1 3.84Å; E254-R287 PolarHBondContact OE2-NH1 2.98Å; E254-R287 IonicContact OE2-NH2 2.95Å; M261-R287 HydrophobicContact CE-CB 3.82Å; M261-R287 HydrophobicContact CE-CG 4.43Å; M261-R287 HydrophobicContact SD-CB 3.67Å; M261-R287 HydrophobicContact SD-CG 3.87Å; V283-R287 PolarHBondContact O-N 3.34Å; Q284-R287 PolarHBondContact O-N 2.84Å; R287-E289 PolarHBondContact O-N 3.03Å; R287-V290 PolarHBondContact O-N 2.94Å; R287-E291 PolarHBondContact O-N 3.48Å
288	R	97.9	Very high	97.8	Very high	93 Å²	93	45.8 Å²	45.8	35%	0.351	21%	0.208	S	C	.	.	H	α-helix	trans	-58.6	-48.4	179.3	-175	-177.4	69.5	-161.4	-1.3	112.2	Q284 K285 L286 K292	Q284-R288 PolarHBondContact O-N 3.47Å; Q284-R288 VanDerWaalsContact O-N 3.08Å; K285-R288 PolarHBondContact O-N 3.38Å; L286-R288 VanDerWaalsContact C-N 3.31Å; L286-R288 PolarHBondContact O-N 3.23Å; R288-K292 WeakPolarHBondContact O-CG 3.34Å; R288-K292 PolarHBondContact O-N 2.84Å
289	E	98.6	Very high	98.1	Very high	33 Å²	33	41 Å²	41	15%	0.154	20%	0.203	C	C	.	.	H	α-helix	trans	-74.1	-27.6	-179	-58.5	-46.7	128.8	0	0	112.6	K285 L286 R287 K292 A293 I305 I307	K285-E289 PolarHBondContact O-N 3.43Å; L286-E289 PolarHBondContact O-N 2.69Å; R287-E289 PolarHBondContact O-N 3.03Å; E289-K292 IonicContact OE1-NZ 4Å; E289-K292 PolarHBondContact OE1-NZ 3.47Å; E289-K292 VanDerWaalsContact OE2-CD 3.3Å; E289-K292 WeakPolarHBondContact OE2-CD 3.27Å; E289-K292 IonicContact OE2-NZ 3.28Å; E289-K292 PolarHBondContact OE2-NZ 3.19Å; E289-A293 WeakPolarHBondContact O-CB 3.37Å; E289-A293 PolarHBondContact O-N 3.36Å; E289-I305 HydrophobicContact CB-CG2 3.83Å; E289-I307 HydrophobicContact CB-CD1 4.35Å; E289-I307 HydrophobicContact CB-CG1 4.33Å; E289-I307 HydrophobicContact CG-CD1 4.12Å; E289-I307 HydrophobicContact CG-CG1 3.75Å
290	V	98.8	Very high	98.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-65.6	-47	171.2	164.8	0	0	0	0	111.4	D257 V260 M261 F264 L286 R287 K292 A293 K294 I305	D257-V290 HydrophobicContact CB-CG1 4.08Å; V260-V290 HydrophobicContact CB-CG1 3.69Å; V260-V290 HydrophobicContact CG1-CB 4.4Å; V260-V290 HydrophobicContact CG1-CG1 3.62Å; V260-V290 HydrophobicContact CG1-CG2 3.92Å; M261-V290 HydrophobicContact CG-CB 4.26Å; M261-V290 HydrophobicContact CG-CG1 4.21Å; M261-V290 HydrophobicContact CG-CG2 4.09Å; F264-V290 HydrophobicContact CD2-CG2 4.18Å; L286-V290 HydrophobicContact CD1-CG2 3.89Å; L286-V290 HydrophobicContact CG-CG2 4.07Å; L286-V290 WeakPolarHBondContact O-CB 3.33Å; L286-V290 VanDerWaalsContact O-CG2 3.26Å; L286-V290 WeakPolarHBondContact O-CG2 3.39Å; L286-V290 PolarHBondContact O-N 3.2Å; R287-V290 PolarHBondContact O-N 2.94Å; V290-K292 VanDerWaalsContact C-N 3.31Å; V290-K292 PolarHBondContact O-N 3.15Å; V290-A293 PolarHBondContact O-N 3.21Å; V290-K294 PolarHBondContact O-N 3.32Å; V290-I305 HydrophobicContact CG2-CD1 4.18Å
291	E	98.1	Very high	98.2	Very high	20 Å²	20	47.7 Å²	47.7	9%	0.093	23%	0.231	C	C	.	.	H	α-helix	trans	-58.4	-45.4	176.9	-169.9	-157.8	161.1	0	0	110.4	K79 R287 A293 K294 R295	K79-E291 IonicContact NZ-OE1 3.32Å; K79-E291 IonicContact NZ-OE2 2.73Å; K79-E291 PolarHBondContact NZ-OE2 2.88Å; R287-E291 PolarHBondContact O-N 3.48Å; E291-A293 PolarHBondContact O-N 3.38Å; E291-K294 WeakPolarHBondContact O-CB 3.49Å; E291-K294 PolarHBondContact O-N 3.16Å; E291-R295 WeakPolarHBondContact O-CG 3.4Å; E291-R295 PolarHBondContact O-N 3.45Å; E291-R295 IonicContact OE1-CZ 2.73Å; E291-R295 VanDerWaalsContact OE1-CZ 3.29Å; E291-R295 IonicContact OE1-NE 2.77Å; E291-R295 PolarHBondContact OE1-NE 3.45Å; E291-R295 IonicContact OE1-NH2 2.76Å; E291-R295 PolarHBondContact OE1-NH2 2.86Å
292	K	98.1	Very high	98.2	Very high	105 Å²	105	47.1 Å²	47.1	46%	0.457	23%	0.234	S	C	.	.	H	α-helix	trans	-60.6	-45	175.9	-71.2	173.8	-177.1	171.1	0	112	R288 E289 V290 R295 A296	R288-K292 WeakPolarHBondContact O-CG 3.34Å; R288-K292 PolarHBondContact O-N 2.84Å; E289-K292 IonicContact OE1-NZ 4Å; E289-K292 PolarHBondContact OE1-NZ 3.47Å; E289-K292 VanDerWaalsContact OE2-CD 3.3Å; E289-K292 WeakPolarHBondContact OE2-CD 3.27Å; E289-K292 IonicContact OE2-NZ 3.28Å; E289-K292 PolarHBondContact OE2-NZ 3.19Å; V290-K292 VanDerWaalsContact C-N 3.31Å; V290-K292 PolarHBondContact O-N 3.15Å; K292-R295 PolarHBondContact O-N 3.3Å; K292-A296 WeakPolarHBondContact O-CB 3.29Å; K292-A296 PolarHBondContact O-N 3.42Å
293	A	98.6	Very high	98.2	Very high	5 Å²	5	47.6 Å²	47.6	4%	0.041	24%	0.238	C	C	.	.	H	α-helix	trans	-63.1	-42.8	176.9	0	0	0	0	0	111.8	E289 V290 E291 R295 A296 L297 A303 I305 L320	E289-A293 WeakPolarHBondContact O-CB 3.37Å; E289-A293 PolarHBondContact O-N 3.36Å; V290-A293 PolarHBondContact O-N 3.21Å; E291-A293 PolarHBondContact O-N 3.38Å; A293-R295 VanDerWaalsContact C-N 3.35Å; A293-R295 PolarHBondContact O-N 3.23Å; A293-A296 PolarHBondContact O-N 2.84Å; A293-L297 WeakPolarHBondContact O-CB 3.15Å; A293-L297 VanDerWaalsContact O-CG 3.24Å; A293-L297 WeakPolarHBondContact O-CG 3.45Å; A293-L297 PolarHBondContact O-N 2.91Å; A293-A303 HydrophobicContact CB-CB 4.02Å; A293-I305 HydrophobicContact CB-CD1 3.88Å; A293-I305 HydrophobicContact CB-CG1 3.75Å; A293-L320 HydrophobicContact CB-CD2 4.42Å
294	K	98.6	Very high	98.2	Very high	19 Å²	19	54.5 Å²	54.5	8%	0.083	26%	0.262	C	S	.	.	H	α-helix	trans	-55.7	-49	173.9	175.9	-173.3	69.1	-158.4	0	111.1	G253 F256 D257 V290 E291 L297 S298 F325	G253-K294 PolarHBondContact O-NZ 3.39Å; F256-K294 HydrophobicContact CB-CD 4.29Å; D257-K294 WeakPolarHBondContact OD1-CD 3.4Å; D257-K294 WeakPolarHBondContact OD1-CE 3.27Å; D257-K294 IonicContact OD1-NZ 2.79Å; D257-K294 PolarHBondContact OD1-NZ 3Å; D257-K294 IonicContact OD2-NZ 2.9Å; D257-K294 PolarHBondContact OD2-NZ 3.15Å; V290-K294 PolarHBondContact O-N 3.32Å; E291-K294 WeakPolarHBondContact O-CB 3.49Å; E291-K294 PolarHBondContact O-N 3.16Å; K294-L297 PolarHBondContact O-N 2.83Å; K294-S298 PolarHBondContact O-N 2.88Å; K294-F325 HydrophobicContact CD-CE2 4.29Å; K294-F325 HydrophobicContact CD-CZ 4.18Å; K294-F325 HydrophobicContact CG-CE2 3.94Å; K294-F325 HydrophobicContact CG-CZ 3.8Å
295	R	98.3	Very high	98.2	Very high	119 Å²	119	54.5 Å²	54.5	45%	0.449	26%	0.262	S	S	.	.	H	α-helix	trans	-60.1	-47.8	177.1	-70.2	175	-179.1	-98.1	3.5	111.1	Y37 E291 K292 A293 L297 S298	Y37-R295 VanDerWaalsContact CE2-NH2 3.27Å; E291-R295 WeakPolarHBondContact O-CG 3.4Å; E291-R295 PolarHBondContact O-N 3.45Å; E291-R295 IonicContact OE1-CZ 2.73Å; E291-R295 VanDerWaalsContact OE1-CZ 3.29Å; E291-R295 IonicContact OE1-NE 2.77Å; E291-R295 PolarHBondContact OE1-NE 3.45Å; E291-R295 IonicContact OE1-NH2 2.76Å; E291-R295 PolarHBondContact OE1-NH2 2.86Å; K292-R295 PolarHBondContact O-N 3.3Å; A293-R295 VanDerWaalsContact C-N 3.35Å; A293-R295 PolarHBondContact O-N 3.23Å; R295-L297 VanDerWaalsContact C-N 3.32Å; R295-L297 PolarHBondContact O-N 3.48Å; R295-S298 WeakPolarHBondContact O-CB 3.21Å; R295-S298 PolarHBondContact O-N 3.3Å; R295-S298 VanDerWaalsContact O-N 3.11Å
296	A	98.4	Very high	98.2	Very high	32 Å²	32	57.8 Å²	57.8	26%	0.264	28%	0.278	S	S	.	.	H	α-helix	trans	-59.2	-40.7	177.8	0	0	0	0	0	112.7	K292 A293 S298 A299 Q300 A303	K292-A296 WeakPolarHBondContact O-CB 3.29Å; K292-A296 PolarHBondContact O-N 3.42Å; A293-A296 PolarHBondContact O-N 2.84Å; A296-S298 PolarHBondContact O-N 3.36Å; A296-S298 VanDerWaalsContact O-N 3.14Å; A296-A299 PolarHBondContact O-N 2.99Å; A296-Q300 WeakPolarHBondContact O-CB 3.22Å; A296-Q300 PolarHBondContact O-N 2.98Å; A296-A303 HydrophobicContact CB-CB 4.19Å
297	L	98.6	Very high	98.2	Very high	3 Å²	3	58.4 Å²	58.4	2%	0.016	28%	0.281	C	S	.	.	H	α-helix	trans	-65.9	-13.2	179	-72.4	176.8	0	0	0	114.3	A293 K294 R295 A299 Q300 Q302 A303 L320 R322 F325	A293-L297 WeakPolarHBondContact O-CB 3.15Å; A293-L297 VanDerWaalsContact O-CG 3.24Å; A293-L297 WeakPolarHBondContact O-CG 3.45Å; A293-L297 PolarHBondContact O-N 2.91Å; K294-L297 PolarHBondContact O-N 2.83Å; R295-L297 VanDerWaalsContact C-N 3.32Å; R295-L297 PolarHBondContact O-N 3.48Å; L297-A299 VanDerWaalsContact C-N 3.26Å; L297-Q300 CarbonylContact C-O 3.43Å; L297-Q300 WeakPolarHBondContact CA-O 3.4Å; L297-Q302 VanDerWaalsContact CD2-CA 3.49Å; L297-A303 HydrophobicContact CD2-CB 4.15Å; L297-A303 HydrophobicContact CG-CB 4.16Å; L297-L320 HydrophobicContact CD1-CB 4.29Å; L297-L320 HydrophobicContact CD1-CD2 3.55Å; L297-L320 HydrophobicContact CD1-CG 3.67Å; L297-R322 HydrophobicContact CD2-CB 4.18Å; L297-R322 PolarHBondContact O-NE 3.35Å; L297-R322 PolarHBondContact O-NH2 2.87Å; L297-R322 VanDerWaalsContact O-NH2 3.1Å; L297-F325 HydrophobicContact CD1-CB 3.87Å; L297-F325 HydrophobicContact CD1-CG 4.33Å
298	S	97.8	Very high	98.1	Very high	32 Å²	32	65.4 Å²	65.4	22%	0.224	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-25.8	171.2	-59	0	0	0	0	112.1	K294 R295 A296 P367	K294-S298 PolarHBondContact O-N 2.88Å; R295-S298 WeakPolarHBondContact O-CB 3.21Å; R295-S298 PolarHBondContact O-N 3.3Å; R295-S298 VanDerWaalsContact O-N 3.11Å; A296-S298 PolarHBondContact O-N 3.36Å; A296-S298 VanDerWaalsContact O-N 3.14Å; S298-P367 VanDerWaalsContact O-CG 3.31Å; S298-P367 WeakPolarHBondContact O-CG 3.33Å
299	A	97.1	Very high	98	Very high	87 Å²	87	64.3 Å²	64.3	72%	0.719	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.5	-27.3	175.4	0	0	0	0	0	113.3	A296 L297	A296-A299 PolarHBondContact O-N 2.99Å; L297-A299 VanDerWaalsContact C-N 3.26Å
300	Q	97.7	Very high	98	Very high	106 Å²	106	63 Å²	63	50%	0.495	31%	0.314	S	S	.	.			trans	-112.3	157.3	-174.3	-58.4	177.5	-2.5	0	0	111.9	A296 L297 Q302 R322	A296-Q300 WeakPolarHBondContact O-CB 3.22Å; A296-Q300 PolarHBondContact O-N 2.98Å; L297-Q300 CarbonylContact C-O 3.43Å; L297-Q300 WeakPolarHBondContact CA-O 3.4Å; Q300-Q302 PolarHBondContact OE1-O 3.45Å; Q300-R322 VanDerWaalsContact C-NH2 3.27Å; Q300-R322 PolarHBondContact O-NE 3.01Å; Q300-R322 PolarHBondContact O-NH2 3.05Å
301	H	98.1	Very high	97.9	Very high	143 Å²	143	64 Å²	64	66%	0.662	32%	0.319	S	S	*	.	S	Bend	trans	-86.4	-16.5	177.6	-70.9	-75.5	0	0	0	113.9	T321 R322	H301-T321 CarbonylContact O-C 3.6Å; H301-T321 WeakPolarHBondContact O-CA 3.33Å; H301-R322 PolarHBondContact O-N 3.44Å
302	Q	97.9	Very high	97.8	Very high	125 Å²	125	69.5 Å²	69.5	58%	0.584	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-150.3	151	176.4	64.3	-175.7	7.2	0	0	109.9	L297 Q300 T319 L320 T321	L297-Q302 VanDerWaalsContact CD2-CA 3.49Å; Q300-Q302 PolarHBondContact OE1-O 3.45Å; Q302-T319 HydrophobicContact CB-CG2 4.14Å; Q302-L320 CarbonylContact C-O 3.54Å; Q302-L320 VanDerWaalsContact CA-O 3.31Å; Q302-L320 WeakPolarHBondContact CA-O 3.32Å; Q302-T321 HydrophobicContact CB-CG2 4.35Å
303	A	98.4	Very high	97.6	Very high	10 Å²	10	67.3 Å²	67.3	8%	0.083	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	141.3	174.5	0	0	0	0	0	109.1	A293 A296 L297 L320	A293-A303 HydrophobicContact CB-CB 4.02Å; A296-A303 HydrophobicContact CB-CB 4.19Å; L297-A303 HydrophobicContact CD2-CB 4.15Å; L297-A303 HydrophobicContact CG-CB 4.16Å; A303-L320 PolarHBondContact N-O 2.84Å; A303-L320 PolarHBondContact O-N 3.41Å
304	R	97.8	Very high	97.4	Very high	163 Å²	163	70.6 Å²	70.6	62%	0.615	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	133.8	175.8	-158.5	177.2	-176.8	-170.4	-7.6	109.2	E306 S317	R304-E306 HydrophobicContact CB-CG 4.49Å; R304-E306 WeakPolarHBondContact CD-OE1 3.37Å; R304-E306 HydrophobicContact CG-CG 3.75Å; R304-E306 IonicContact CZ-OE1 2.92Å; R304-E306 IonicContact NE-OE1 2.79Å; R304-E306 PolarHBondContact NE-OE1 2.77Å; R304-E306 IonicContact NH1-OE1 2.71Å; R304-E306 PolarHBondContact NH1-OE1 2.69Å; R304-E306 IonicContact NH2-OE1 2.79Å; R304-E306 PolarHBondContact NH2-OE1 2.92Å; R304-S317 PolarHBondContact NE-OG 3.1Å; R304-S317 VanDerWaalsContact NE-OG 3.16Å; R304-S317 PolarHBondContact NH2-OG 2.85Å
305	I	98.4	Very high	97.4	Very high	2 Å²	2	74.8 Å²	74.8	1%	0.01	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	112.1	176	-63.4	173.5	0	0	0	106.7	F264 E289 V290 A293 I307 F316 S317 E318 L320	F264-I305 HydrophobicContact CD2-CD1 3.96Å; F264-I305 HydrophobicContact CE2-CD1 3.28Å; F264-I305 HydrophobicContact CZ-CD1 3.78Å; E289-I305 HydrophobicContact CB-CG2 3.83Å; V290-I305 HydrophobicContact CG2-CD1 4.18Å; A293-I305 HydrophobicContact CB-CD1 3.88Å; A293-I305 HydrophobicContact CB-CG1 3.75Å; I305-I307 HydrophobicContact CG2-CD1 4.4Å; I305-I307 HydrophobicContact CG2-CG1 4.5Å; I305-F316 HydrophobicContact CB-CE1 4.1Å; I305-F316 HydrophobicContact CG2-CD1 3.91Å; I305-F316 HydrophobicContact CG2-CE1 3.61Å; I305-S317 WeakPolarHBondContact O-CA 3.48Å; I305-E318 PolarHBondContact N-O 3.19Å; I305-E318 PolarHBondContact O-N 2.82Å; I305-L320 HydrophobicContact CD1-CB 4.34Å
306	E	97.9	Very high	97.4	Very high	101 Å²	101	69.4 Å²	69.4	47%	0.472	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	125.4	-176.8	-56.2	-163.9	114.4	0	0	109.9	R304 F316 S317	R304-E306 HydrophobicContact CB-CG 4.49Å; R304-E306 WeakPolarHBondContact CD-OE1 3.37Å; R304-E306 HydrophobicContact CG-CG 3.75Å; R304-E306 IonicContact CZ-OE1 2.92Å; R304-E306 IonicContact NE-OE1 2.79Å; R304-E306 PolarHBondContact NE-OE1 2.77Å; R304-E306 IonicContact NH1-OE1 2.71Å; R304-E306 PolarHBondContact NH1-OE1 2.69Å; R304-E306 IonicContact NH2-OE1 2.79Å; R304-E306 PolarHBondContact NH2-OE1 2.92Å; E306-F316 CarbonylContact C-O 3.54Å; E306-F316 VanDerWaalsContact CA-O 3.29Å; E306-F316 WeakPolarHBondContact CA-O 3.32Å; E306-S317 PolarHBondContact OE1-OG 3.41Å
307	I	98.1	Very high	97.3	Very high	12 Å²	12	70.2 Å²	70.2	6%	0.062	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	110.2	179.9	-51.6	168.8	0	0	0	107.8	K285 L286 E289 I305 F310 F316	K285-I307 HydrophobicContact CB-CD1 4.39Å; K285-I307 HydrophobicContact CB-CG2 4.01Å; K285-I307 HydrophobicContact CD-CG2 3.77Å; K285-I307 HydrophobicContact CG-CG2 4.43Å; L286-I307 HydrophobicContact CB-CD1 4.34Å; L286-I307 HydrophobicContact CD1-CD1 4.26Å; E289-I307 HydrophobicContact CB-CD1 4.35Å; E289-I307 HydrophobicContact CB-CG1 4.33Å; E289-I307 HydrophobicContact CG-CD1 4.12Å; E289-I307 HydrophobicContact CG-CG1 3.75Å; I305-I307 HydrophobicContact CG2-CD1 4.4Å; I305-I307 HydrophobicContact CG2-CG1 4.5Å; I307-F310 HydrophobicContact CB-CB 4.16Å; I307-F310 HydrophobicContact CB-CD2 4.2Å; I307-F310 HydrophobicContact CB-CG 4.49Å; I307-F310 HydrophobicContact CD1-CD2 3.83Å; I307-F310 HydrophobicContact CD1-CE2 4.01Å; I307-F310 HydrophobicContact CG2-CB 4.03Å; I307-F310 HydrophobicContact CG2-CD2 3.91Å; I307-F310 HydrophobicContact CG2-CG 4.42Å; I307-F316 HydrophobicContact CB-CB 4.17Å; I307-F316 HydrophobicContact CD1-CD1 4.35Å; I307-F316 PolarHBondContact N-O 3.02Å; I307-F316 PolarHBondContact O-N 3.05Å
308	E	97.4	Very high	97.3	Very high	164 Å²	164	71.6 Å²	71.6	77%	0.766	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	140.4	172.9	-64.6	-179.3	178.1	0	0	111	K285 F310 D315	K285-E308 PolarHBondContact NZ-O 3.03Å; E308-F310 VanDerWaalsContact C-N 3.26Å; E308-F310 PolarHBondContact O-N 3.22Å; E308-D315 WeakPolarHBondContact CA-OD1 3.47Å
309	S	96.2	Very high	97.4	Very high	70 Å²	70	73.7 Å²	73.7	49%	0.49	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	44.2	56.4	-179.1	-66	0	0	0	0	110.9	K285 D315	K285-S309 PolarHBondContact NZ-O 2.96Å; S309-D315 PolarHBondContact N-OD1 2.65Å
310	F	97.5	Very high	97.4	Very high	4 Å²	4	69.7 Å²	69.7	2%	0.018	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	-52	-174.4	172.9	-123.6	0	0	0	111.3	Y268 V276 A282 L286 I307 E308 E314 F316	Y268-F310 HydrophobicContact CD1-CE1 4.41Å; Y268-F310 HydrophobicContact CD2-CD1 4.26Å; Y268-F310 HydrophobicContact CD2-CE1 4.15Å; Y268-F310 HydrophobicContact CE1-CD1 4.49Å; Y268-F310 HydrophobicContact CE1-CE1 4.4Å; Y268-F310 AromaticContact CE2-CD1 3.83Å; Y268-F310 HydrophobicContact CE2-CD1 3.83Å; Y268-F310 HydrophobicContact CE2-CE1 4.14Å; Y268-F310 HydrophobicContact CG-CE1 4.25Å; Y268-F310 AromaticContact CZ-CD1 3.95Å; V276-F310 HydrophobicContact CB-CE1 4.35Å; V276-F310 HydrophobicContact CB-CZ 4.3Å; V276-F310 HydrophobicContact CG1-CD1 4.43Å; V276-F310 HydrophobicContact CG1-CE1 3.67Å; V276-F310 HydrophobicContact CG1-CZ 4.12Å; V276-F310 HydrophobicContact CG2-CE1 4.35Å; V276-F310 HydrophobicContact CG2-CZ 4.08Å; A282-F310 HydrophobicContact CB-CD2 4.38Å; A282-F310 HydrophobicContact CB-CE2 4.07Å; A282-F310 HydrophobicContact CB-CZ 4.47Å; A282-F310 WeakPolarHBondContact CB-O 3.41Å; A282-F310 VanDerWaalsContact O-CE2 3.24Å; A282-F310 WeakPolarHBondContact O-CE2 3.31Å; L286-F310 HydrophobicContact CB-CE2 3.89Å; L286-F310 HydrophobicContact CB-CZ 4.18Å; L286-F310 HydrophobicContact CD2-CZ 4.41Å; I307-F310 HydrophobicContact CB-CB 4.16Å; I307-F310 HydrophobicContact CB-CD2 4.2Å; I307-F310 HydrophobicContact CB-CG 4.49Å; I307-F310 HydrophobicContact CD1-CD2 3.83Å; I307-F310 HydrophobicContact CD1-CE2 4.01Å; I307-F310 HydrophobicContact CG2-CB 4.03Å; I307-F310 HydrophobicContact CG2-CD2 3.91Å; I307-F310 HydrophobicContact CG2-CG 4.42Å; E308-F310 VanDerWaalsContact C-N 3.26Å; E308-F310 PolarHBondContact O-N 3.22Å; F310-E314 WeakPolarHBondContact CB-O 3.45Å; F310-E314 PolarHBondContact N-O 2.79Å; F310-F316 HydrophobicContact CB-CB 3.67Å; F310-F316 HydrophobicContact CD1-CB 3.67Å; F310-F316 AromaticContact CD1-CD2 3.9Å; F310-F316 HydrophobicContact CD1-CD2 3.9Å; F310-F316 HydrophobicContact CD1-CG 4.12Å; F310-F316 HydrophobicContact CD2-CB 4.4Å; F310-F316 HydrophobicContact CE1-CB 4.38Å; F310-F316 AromaticContact CE1-CD2 3.85Å; F310-F316 HydrophobicContact CE1-CD2 3.85Å; F310-F316 HydrophobicContact CE1-CG 4.37Å; F310-F316 HydrophobicContact CG-CB 3.66Å; F310-F316 HydrophobicContact CG-CG 4.4Å
311	F	97.4	Very high	97.5	Very high	22 Å²	22	67.1 Å²	67.1	10%	0.096	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	125.2	-178.9	-173.3	-102.6	0	0	0	110.7	Y268 K274 V276 D279 A282 G313 E314	Y268-F311 HydrophobicContact CE1-CB 4.32Å; Y268-F311 HydrophobicContact CE1-CD1 4.27Å; K274-F311 HydrophobicContact CB-CD1 4.07Å; K274-F311 HydrophobicContact CB-CE1 3.89Å; K274-F311 HydrophobicContact CD-CD1 4Å; K274-F311 HydrophobicContact CD-CE1 4.1Å; K274-F311 HydrophobicContact CG-CE1 4.45Å; V276-F311 HydrophobicContact CB-CD2 4.19Å; V276-F311 HydrophobicContact CB-CG 4.4Å; V276-F311 HydrophobicContact CG1-CB 3.79Å; V276-F311 HydrophobicContact CG1-CD1 4.01Å; V276-F311 HydrophobicContact CG1-CD2 3.92Å; V276-F311 HydrophobicContact CG1-CG 3.63Å; D279-F311 HydrophobicContact CB-CD2 3.92Å; D279-F311 HydrophobicContact CB-CE2 3.61Å; A282-F311 HydrophobicContact CB-CD2 4.08Å; F311-G313 PolarHBondContact O-N 2.92Å; F311-E314 PolarHBondContact N-O 3.34Å; F311-E314 PolarHBondContact O-N 2.79Å
312	E	95.1	Very high	97.5	Very high	136 Å²	136	62.1 Å²	62.1	64%	0.636	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	35.4	-177.8	-62.9	177.8	174.8	0	0	114.2	K274 E314	K274-E312 VanDerWaalsContact CD-OE2 3.31Å; K274-E312 WeakPolarHBondContact CD-OE2 3.44Å; K274-E312 WeakPolarHBondContact CE-OE2 3.3Å; K274-E312 IonicContact NZ-OE2 3Å; K274-E312 PolarHBondContact NZ-OE2 3Å; E312-E314 PolarHBondContact O-N 2.71Å
313	G	93.6	Very high	97.6	Very high	58 Å²	58	59.4 Å²	59.4	60%	0.598	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	-3.3	-179.8	0	0	0	0	0	115.1	F311	F311-G313 PolarHBondContact O-N 2.92Å
314	E	95.6	Very high	97.6	Very high	74 Å²	74	61.4 Å²	61.4	35%	0.346	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	138.1	173	-69.3	177.3	-158.9	0	0	111.1	Y268 K274 F310 F311 E312	Y268-E314 PolarHBondContact OH-OE2 2.88Å; K274-E314 WeakPolarHBondContact CE-OE1 3.46Å; K274-E314 IonicContact NZ-OE1 3.05Å; K274-E314 PolarHBondContact NZ-OE1 2.76Å; K274-E314 IonicContact NZ-OE2 3.57Å; F310-E314 WeakPolarHBondContact CB-O 3.45Å; F310-E314 PolarHBondContact N-O 2.79Å; F311-E314 PolarHBondContact N-O 3.34Å; F311-E314 PolarHBondContact O-N 2.79Å; E312-E314 PolarHBondContact O-N 2.71Å
315	D	97.3	Very high	97.6	Very high	108 Å²	108	53.9 Å²	53.9	58%	0.578	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.1	152.4	174.3	-61.4	-29.9	0	0	0	111.4	E308 S309	E308-D315 WeakPolarHBondContact CA-OD1 3.47Å; S309-D315 PolarHBondContact N-OD1 2.65Å
316	F	98.3	Very high	97.6	Very high	5 Å²	5	55.2 Å²	55.2	2%	0.022	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	124.7	170.3	-176.3	-87.3	0	0	0	109.4	F264 Y268 L286 I305 E306 I307 F310 E318	F264-F316 HydrophobicContact CB-CE2 4.43Å; F264-F316 HydrophobicContact CB-CZ 3.9Å; F264-F316 HydrophobicContact CD1-CE1 4.48Å; F264-F316 AromaticContact CD1-CZ 3.68Å; F264-F316 HydrophobicContact CD1-CZ 3.68Å; F264-F316 HydrophobicContact CE1-CZ 4.41Å; F264-F316 AromaticContact CG-CZ 3.86Å; F264-F316 HydrophobicContact CG-CZ 3.86Å; Y268-F316 AromaticContact CD2-CD2 3.61Å; Y268-F316 HydrophobicContact CD2-CD2 3.61Å; Y268-F316 HydrophobicContact CD2-CE2 4.03Å; Y268-F316 HydrophobicContact CE2-CD2 4.12Å; Y268-F316 HydrophobicContact CG-CD2 4.46Å; L286-F316 HydrophobicContact CD1-CE1 4.29Å; L286-F316 HydrophobicContact CD1-CZ 4.33Å; I305-F316 HydrophobicContact CB-CE1 4.1Å; I305-F316 HydrophobicContact CG2-CD1 3.91Å; I305-F316 HydrophobicContact CG2-CE1 3.61Å; E306-F316 CarbonylContact C-O 3.54Å; E306-F316 VanDerWaalsContact CA-O 3.29Å; E306-F316 WeakPolarHBondContact CA-O 3.32Å; I307-F316 HydrophobicContact CB-CB 4.17Å; I307-F316 HydrophobicContact CD1-CD1 4.35Å; I307-F316 PolarHBondContact N-O 3.02Å; I307-F316 PolarHBondContact O-N 3.05Å; F310-F316 HydrophobicContact CB-CB 3.67Å; F310-F316 HydrophobicContact CD1-CB 3.67Å; F310-F316 AromaticContact CD1-CD2 3.9Å; F310-F316 HydrophobicContact CD1-CD2 3.9Å; F310-F316 HydrophobicContact CD1-CG 4.12Å; F310-F316 HydrophobicContact CD2-CB 4.4Å; F310-F316 HydrophobicContact CE1-CB 4.38Å; F310-F316 AromaticContact CE1-CD2 3.85Å; F310-F316 HydrophobicContact CE1-CD2 3.85Å; F310-F316 HydrophobicContact CE1-CG 4.37Å; F310-F316 HydrophobicContact CG-CB 3.66Å; F310-F316 HydrophobicContact CG-CG 4.4Å; F316-E318 HydrophobicContact CD1-CG 4.38Å; F316-E318 HydrophobicContact CD2-CG 4.48Å; F316-E318 HydrophobicContact CE1-CB 3.79Å; F316-E318 HydrophobicContact CE1-CG 3.67Å; F316-E318 HydrophobicContact CE2-CG 3.79Å; F316-E318 HydrophobicContact CZ-CB 3.84Å; F316-E318 HydrophobicContact CZ-CG 3.33Å
317	S	98	Very high	97.7	Very high	50 Å²	50	56.1 Å²	56.1	35%	0.35	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	105.7	174.1	-169.1	0	0	0	0	109.3	R304 I305 E306	R304-S317 PolarHBondContact NE-OG 3.1Å; R304-S317 VanDerWaalsContact NE-OG 3.16Å; R304-S317 PolarHBondContact NH2-OG 2.85Å; I305-S317 WeakPolarHBondContact O-CA 3.48Å; E306-S317 PolarHBondContact OE1-OG 3.41Å
318	E	98.4	Very high	97.7	Very high	32 Å²	32	57.1 Å²	57.1	15%	0.15	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	159.2	179.4	-62.5	-64.2	161.5	0	0	110.8	F264 L267 K271 I305 F316	F264-E318 HydrophobicContact CD1-CB 4.14Å; F264-E318 HydrophobicContact CD1-CG 4.25Å; F264-E318 HydrophobicContact CE1-CB 3.65Å; F264-E318 HydrophobicContact CE1-CG 4.21Å; F264-E318 HydrophobicContact CZ-CB 4.42Å; L267-E318 HydrophobicContact CD2-CG 4.11Å; K271-E318 WeakPolarHBondContact CE-OE1 3.48Å; K271-E318 IonicContact NZ-OE1 3.98Å; K271-E318 PolarHBondContact NZ-OE1 3.11Å; K271-E318 IonicContact NZ-OE2 2.57Å; K271-E318 PolarHBondContact NZ-OE2 3.14Å; I305-E318 PolarHBondContact N-O 3.19Å; I305-E318 PolarHBondContact O-N 2.82Å; F316-E318 HydrophobicContact CD1-CG 4.38Å; F316-E318 HydrophobicContact CD2-CG 4.48Å; F316-E318 HydrophobicContact CE1-CB 3.79Å; F316-E318 HydrophobicContact CE1-CG 3.67Å; F316-E318 HydrophobicContact CE2-CG 3.79Å; F316-E318 HydrophobicContact CZ-CB 3.84Å; F316-E318 HydrophobicContact CZ-CG 3.33Å
319	T	98.4	Very high	97.8	Very high	76 Å²	76	49.3 Å²	49.3	47%	0.466	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	129	174.2	-60.2	0	0	0	0	110.1	Q302	Q302-T319 HydrophobicContact CB-CG2 4.14Å
320	L	98.8	Very high	97.9	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	122.7	168.8	-172.1	62.8	0	0	0	109.1	V260 F264 A293 L297 Q302 A303 I305 K324 F325	V260-L320 HydrophobicContact CG1-CD1 4.31Å; V260-L320 HydrophobicContact CG1-CD2 3.7Å; V260-L320 HydrophobicContact CG2-CD2 4.36Å; F264-L320 HydrophobicContact CE2-CB 4.24Å; F264-L320 HydrophobicContact CE2-CD1 4.06Å; F264-L320 HydrophobicContact CE2-CD2 4.34Å; F264-L320 HydrophobicContact CE2-CG 4.44Å; F264-L320 HydrophobicContact CZ-CB 3.89Å; F264-L320 HydrophobicContact CZ-CD1 3.91Å; F264-L320 HydrophobicContact CZ-CG 4.37Å; A293-L320 HydrophobicContact CB-CD2 4.42Å; L297-L320 HydrophobicContact CD1-CB 4.29Å; L297-L320 HydrophobicContact CD1-CD2 3.55Å; L297-L320 HydrophobicContact CD1-CG 3.67Å; Q302-L320 CarbonylContact C-O 3.54Å; Q302-L320 VanDerWaalsContact CA-O 3.31Å; Q302-L320 WeakPolarHBondContact CA-O 3.32Å; A303-L320 PolarHBondContact N-O 2.84Å; A303-L320 PolarHBondContact O-N 3.41Å; I305-L320 HydrophobicContact CD1-CB 4.34Å; L320-K324 HydrophobicContact CD1-CB 4.3Å; L320-K324 HydrophobicContact CD1-CG 4.2Å; L320-F325 HydrophobicContact CD2-CB 4.42Å; L320-F325 HydrophobicContact CG-CB 4.48Å
321	T	98.8	Very high	97.9	Very high	53 Å²	53	52 Å²	52	33%	0.325	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	153.1	171.3	68.3	0	0	0	0	110.6	H301 Q302 A323 K324 F325	H301-T321 CarbonylContact O-C 3.6Å; H301-T321 WeakPolarHBondContact O-CA 3.33Å; Q302-T321 HydrophobicContact CB-CG2 4.35Å; T321-A323 PolarHBondContact O-N 3.17Å; T321-K324 PolarHBondContact O-N 3.48Å; T321-K324 VanDerWaalsContact O-N 3.1Å; T321-K324 WeakPolarHBondContact OG1-CB 3.41Å; T321-K324 PolarHBondContact OG1-N 2.92Å; T321-K324 VanDerWaalsContact OG1-N 3.13Å; T321-F325 PolarHBondContact O-N 3.34Å
322	R	98.8	Very high	98	Very high	38 Å²	38	52.2 Å²	52.2	14%	0.143	29%	0.292	C	S	.	.	H	α-helix	trans	-57	-42.4	173.6	-173.9	-173.6	-63.9	170.8	-0.3	110.8	L297 Q300 H301 K324 F325 E326	L297-R322 HydrophobicContact CD2-CB 4.18Å; L297-R322 PolarHBondContact O-NE 3.35Å; L297-R322 PolarHBondContact O-NH2 2.87Å; L297-R322 VanDerWaalsContact O-NH2 3.1Å; Q300-R322 VanDerWaalsContact C-NH2 3.27Å; Q300-R322 PolarHBondContact O-NE 3.01Å; Q300-R322 PolarHBondContact O-NH2 3.05Å; H301-R322 PolarHBondContact O-N 3.44Å; R322-K324 VanDerWaalsContact C-N 3.3Å; R322-K324 PolarHBondContact O-N 3.01Å; R322-F325 WeakPolarHBondContact O-CB 3.49Å; R322-F325 PolarHBondContact O-N 3.18Å; R322-E326 WeakPolarHBondContact CD-OE1 3.48Å; R322-E326 HydrophobicContact CG-CG 4.31Å; R322-E326 WeakPolarHBondContact CG-OE1 3.33Å; R322-E326 WeakPolarHBondContact O-CB 3.48Å; R322-E326 VanDerWaalsContact O-CG 3.3Å; R322-E326 WeakPolarHBondContact O-CG 3.25Å; R322-E326 PolarHBondContact O-N 3.35Å
323	A	98.6	Very high	98.2	Very high	68 Å²	68	45.8 Å²	45.8	56%	0.562	26%	0.261	S	S	*	.	H	α-helix	trans	-59.2	-41.1	177	0	0	0	0	0	112	T321 E326 E327	T321-A323 PolarHBondContact O-N 3.17Å; A323-E326 PolarHBondContact O-N 2.8Å; A323-E327 WeakPolarHBondContact O-CB 3.42Å; A323-E327 PolarHBondContact O-N 3.2Å
324	K	98.8	Very high	98.4	Very high	51 Å²	51	50 Å²	50	22%	0.222	26%	0.259	C	S	.	.	H	α-helix	trans	-69.4	-42.6	176.8	-174.8	56.6	-179.4	178.3	0	112.1	L320 T321 R322 E326 E327 L328	L320-K324 HydrophobicContact CD1-CB 4.3Å; L320-K324 HydrophobicContact CD1-CG 4.2Å; T321-K324 PolarHBondContact O-N 3.48Å; T321-K324 VanDerWaalsContact O-N 3.1Å; T321-K324 WeakPolarHBondContact OG1-CB 3.41Å; T321-K324 PolarHBondContact OG1-N 2.92Å; T321-K324 VanDerWaalsContact OG1-N 3.13Å; R322-K324 VanDerWaalsContact C-N 3.3Å; R322-K324 PolarHBondContact O-N 3.01Å; K324-E326 VanDerWaalsContact C-N 3.31Å; K324-E326 PolarHBondContact O-N 3.1Å; K324-E327 WeakPolarHBondContact CD-OE2 3.43Å; K324-E327 IonicContact NZ-OE1 3.46Å; K324-E327 PolarHBondContact NZ-OE1 3.13Å; K324-E327 IonicContact NZ-OE2 2.69Å; K324-E327 PolarHBondContact NZ-OE2 3.02Å; K324-E327 PolarHBondContact O-N 3.04Å; K324-L328 HydrophobicContact CD-CG 4.37Å; K324-L328 HydrophobicContact CG-CD1 4.2Å; K324-L328 HydrophobicContact CG-CG 4.49Å; K324-L328 VanDerWaalsContact O-CG 3.25Å; K324-L328 WeakPolarHBondContact O-CG 3.27Å; K324-L328 PolarHBondContact O-N 3.36Å
325	F	98.9	Very high	98.5	Very high	5 Å²	5	48.2 Å²	48.2	2%	0.022	26%	0.257	C	S	.	.	H	α-helix	trans	-57.3	-45.2	173.8	169.7	-108.8	0	0	0	111.9	F256 V260 K294 L297 L320 T321 R322 L328 N329 F333 I366	F256-F325 HydrophobicContact CB-CE2 4.06Å; F256-F325 HydrophobicContact CB-CZ 4.22Å; V260-F325 HydrophobicContact CG2-CD2 3.67Å; V260-F325 HydrophobicContact CG2-CE2 4.15Å; K294-F325 HydrophobicContact CD-CE2 4.29Å; K294-F325 HydrophobicContact CD-CZ 4.18Å; K294-F325 HydrophobicContact CG-CE2 3.94Å; K294-F325 HydrophobicContact CG-CZ 3.8Å; L297-F325 HydrophobicContact CD1-CB 3.87Å; L297-F325 HydrophobicContact CD1-CG 4.33Å; L320-F325 HydrophobicContact CD2-CB 4.42Å; L320-F325 HydrophobicContact CG-CB 4.48Å; T321-F325 PolarHBondContact O-N 3.34Å; R322-F325 WeakPolarHBondContact O-CB 3.49Å; R322-F325 PolarHBondContact O-N 3.18Å; F325-L328 PolarHBondContact O-N 2.86Å; F325-N329 WeakPolarHBondContact CD2-ND2 3.23Å; F325-N329 VanDerWaalsContact CE2-ND2 3.27Å; F325-N329 WeakPolarHBondContact CE2-ND2 3.43Å; F325-N329 PolarHBondContact O-N 3.26Å; F325-N329 PolarHBondContact O-ND2 3.22Å; F325-F333 HydrophobicContact CD1-CZ 4.46Å; F325-F333 HydrophobicContact CE1-CE2 4.27Å; F325-F333 AromaticContact CE1-CZ 3.67Å; F325-F333 HydrophobicContact CE1-CZ 3.67Å; F325-F333 AromaticContact CZ-CZ 3.77Å; F325-F333 HydrophobicContact CZ-CZ 3.77Å; F325-I366 HydrophobicContact CE1-CD1 4.27Å; F325-I366 HydrophobicContact CE1-CG1 4.43Å; F325-I366 HydrophobicContact CE1-CG2 4.04Å; F325-I366 HydrophobicContact CZ-CD1 4.05Å
326	E	98.7	Very high	98.6	Very high	30 Å²	30	43.1 Å²	43.1	14%	0.14	23%	0.23	C	C	.	.	H	α-helix	trans	-63.9	-43.2	176.4	-71.9	175.8	-172.4	0	0	112.1	R322 A323 K324 L328 N329 M330 F333 K368	R322-E326 WeakPolarHBondContact CD-OE1 3.48Å; R322-E326 HydrophobicContact CG-CG 4.31Å; R322-E326 WeakPolarHBondContact CG-OE1 3.33Å; R322-E326 WeakPolarHBondContact O-CB 3.48Å; R322-E326 VanDerWaalsContact O-CG 3.3Å; R322-E326 WeakPolarHBondContact O-CG 3.25Å; R322-E326 PolarHBondContact O-N 3.35Å; A323-E326 PolarHBondContact O-N 2.8Å; K324-E326 VanDerWaalsContact C-N 3.31Å; K324-E326 PolarHBondContact O-N 3.1Å; E326-L328 VanDerWaalsContact C-N 3.34Å; E326-L328 PolarHBondContact O-N 2.88Å; E326-N329 PolarHBondContact O-N 2.76Å; E326-M330 HydrophobicContact CB-CE 4.23Å; E326-M330 WeakPolarHBondContact O-CA 3.44Å; E326-M330 WeakPolarHBondContact O-CB 3.45Å; E326-M330 PolarHBondContact O-N 2.85Å; E326-F333 HydrophobicContact CG-CE2 4.42Å; E326-K368 HydrophobicContact CG-CB 3.96Å; E326-K368 HydrophobicContact CG-CG 4.28Å; E326-K368 WeakPolarHBondContact OE2-CE 3.44Å; E326-K368 IonicContact OE2-NZ 2.87Å; E326-K368 PolarHBondContact OE2-NZ 3.19Å
327	E	98.7	Very high	98.6	Very high	121 Å²	121	43.8 Å²	43.8	57%	0.565	23%	0.234	S	C	*	.	H	α-helix	trans	-58.4	-44.6	176.1	-173.7	-152.6	145.4	0	0	111.9	A323 K324 N329	A323-E327 WeakPolarHBondContact O-CB 3.42Å; A323-E327 PolarHBondContact O-N 3.2Å; K324-E327 WeakPolarHBondContact CD-OE2 3.43Å; K324-E327 IonicContact NZ-OE1 3.46Å; K324-E327 PolarHBondContact NZ-OE1 3.13Å; K324-E327 IonicContact NZ-OE2 2.69Å; K324-E327 PolarHBondContact NZ-OE2 3.02Å; K324-E327 PolarHBondContact O-N 3.04Å; E327-N329 PolarHBondContact O-N 3.12Å
328	L	98.8	Very high	98.6	Very high	32 Å²	32	48 Å²	48	17%	0.168	25%	0.246	C	C	.	.	H	α-helix	trans	-66.3	-22.1	-178.2	-70.5	171.1	0	0	0	113.7	R259 V260 H263 K324 F325 E326	R259-L328 HydrophobicContact CB-CB 4.48Å; R259-L328 PolarHBondContact NH1-O 2.84Å; V260-L328 HydrophobicContact CG2-CD1 4.19Å; H263-L328 HydrophobicContact CB-CD1 3.74Å; H263-L328 HydrophobicContact CB-CD2 3.98Å; K324-L328 HydrophobicContact CD-CG 4.37Å; K324-L328 HydrophobicContact CG-CD1 4.2Å; K324-L328 HydrophobicContact CG-CG 4.49Å; K324-L328 VanDerWaalsContact O-CG 3.25Å; K324-L328 WeakPolarHBondContact O-CG 3.27Å; K324-L328 PolarHBondContact O-N 3.36Å; F325-L328 PolarHBondContact O-N 2.86Å; E326-L328 VanDerWaalsContact C-N 3.34Å; E326-L328 PolarHBondContact O-N 2.88Å
329	N	98.8	Very high	98.5	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-122.3	2.1	-171.2	-68.5	-63.5	0	0	0	113.9	F256 R259 F325 E326 E327 D331 L332 F333	F256-N329 WeakPolarHBondContact CA-OD1 3.43Å; F256-N329 HydrophobicContact CD1-CB 4.33Å; R259-N329 VanDerWaalsContact CB-OD1 3.3Å; R259-N329 WeakPolarHBondContact CB-OD1 3.33Å; R259-N329 VanDerWaalsContact CG-OD1 3.24Å; R259-N329 WeakPolarHBondContact CG-OD1 3.26Å; F325-N329 WeakPolarHBondContact CD2-ND2 3.23Å; F325-N329 VanDerWaalsContact CE2-ND2 3.27Å; F325-N329 WeakPolarHBondContact CE2-ND2 3.43Å; F325-N329 PolarHBondContact O-N 3.26Å; F325-N329 PolarHBondContact O-ND2 3.22Å; E326-N329 PolarHBondContact O-N 2.76Å; E327-N329 PolarHBondContact O-N 3.12Å; N329-D331 PolarHBondContact O-N 2.9Å; N329-L332 PolarHBondContact O-N 3.07Å; N329-F333 HydrophobicContact CB-CD1 4.12Å; N329-F333 HydrophobicContact CB-CD2 4.18Å; N329-F333 HydrophobicContact CB-CE1 3.63Å; N329-F333 HydrophobicContact CB-CE2 3.71Å; N329-F333 HydrophobicContact CB-CG 4.39Å; N329-F333 HydrophobicContact CB-CZ 3.4Å; N329-F333 VanDerWaalsContact O-CG 3.31Å; N329-F333 WeakPolarHBondContact O-CG 3.38Å; N329-F333 PolarHBondContact O-N 2.86Å
330	M	98.6	Very high	98.5	Very high	45 Å²	45	43.4 Å²	43.4	22%	0.222	22%	0.22	C	C	.	.	H	α-helix	trans	-58.4	-35.5	-171.4	-174	58.9	58.5	0	0	113	E326 R334 K368	E326-M330 HydrophobicContact CB-CE 4.23Å; E326-M330 WeakPolarHBondContact O-CA 3.44Å; E326-M330 WeakPolarHBondContact O-CB 3.45Å; E326-M330 PolarHBondContact O-N 2.85Å; M330-R334 WeakPolarHBondContact O-CB 3.44Å; M330-R334 VanDerWaalsContact O-CG 3.24Å; M330-R334 WeakPolarHBondContact O-CG 3.43Å; M330-R334 PolarHBondContact O-N 2.95Å; M330-R334 HydrophobicContact SD-CG 4.25Å; M330-R334 PolarHBondContact SD-NE 3.44Å; M330-K368 HydrophobicContact CE-CD 4.1Å; M330-K368 HydrophobicContact CE-CG 4.25Å
331	D	98.5	Very high	98.5	Very high	86 Å²	86	47.5 Å²	47.5	46%	0.46	24%	0.239	S	C	.	.	H	α-helix	trans	-65	-44.8	176	61.4	-50.3	0	0	0	111.7	R259 N329 R334 A335	R259-D331 IonicContact CZ-OD1 3.64Å; R259-D331 IonicContact CZ-OD2 3.59Å; R259-D331 IonicContact NH1-OD1 3Å; R259-D331 PolarHBondContact NH1-OD1 3.23Å; R259-D331 IonicContact NH1-OD2 2.66Å; R259-D331 PolarHBondContact NH1-OD2 3.33Å; R259-D331 IonicContact NH2-OD1 2.68Å; R259-D331 IonicContact NH2-OD2 3.53Å; R259-D331 PolarHBondContact NH2-OD2 3.4Å; N329-D331 PolarHBondContact O-N 2.9Å; D331-R334 PolarHBondContact O-N 2.99Å; D331-A335 WeakPolarHBondContact O-CB 3.4Å; D331-A335 PolarHBondContact O-N 3.35Å
332	L	98.6	Very high	98.4	Very high	27 Å²	27	49.6 Å²	49.6	14%	0.141	24%	0.243	C	C	.	.	H	α-helix	trans	-67.1	-42.8	177	-60.5	179.9	0	0	0	111.3	L251 D255 F256 R259 N329 R334 A335 T336	L251-L332 HydrophobicContact CD1-CB 4.07Å; L251-L332 HydrophobicContact CD1-CD2 4.04Å; L251-L332 HydrophobicContact CD1-CG 4.47Å; D255-L332 HydrophobicContact CB-CD1 3.89Å; F256-L332 HydrophobicContact CD1-CB 4.34Å; F256-L332 HydrophobicContact CD1-CD1 3.91Å; F256-L332 HydrophobicContact CE1-CB 3.79Å; F256-L332 HydrophobicContact CE1-CD1 4.04Å; R259-L332 HydrophobicContact CG-CD1 4.13Å; N329-L332 PolarHBondContact O-N 3.07Å; L332-R334 VanDerWaalsContact C-N 3.34Å; L332-R334 PolarHBondContact O-N 3.32Å; L332-A335 WeakPolarHBondContact O-CB 3.35Å; L332-A335 PolarHBondContact O-N 2.89Å; L332-A335 VanDerWaalsContact O-N 3.16Å; L332-T336 PolarHBondContact O-N 3.44Å
333	F	98.8	Very high	98.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.6	-43.5	176.2	-63.3	-16.1	0	0	0	111.7	F256 F325 E326 N329 A335 T336 I366 K368 I369 L372	F256-F333 HydrophobicContact CD1-CD1 4.32Å; F256-F333 AromaticContact CD1-CE1 3.74Å; F256-F333 HydrophobicContact CD1-CE1 3.74Å; F256-F333 AromaticContact CD2-CE1 3.97Å; F256-F333 HydrophobicContact CD2-CE1 3.97Å; F256-F333 AromaticContact CE1-CD1 3.81Å; F256-F333 HydrophobicContact CE1-CD1 3.81Å; F256-F333 AromaticContact CE1-CE1 3.63Å; F256-F333 HydrophobicContact CE1-CE1 3.63Å; F256-F333 HydrophobicContact CE2-CD1 4.43Å; F256-F333 AromaticContact CE2-CE1 3.87Å; F256-F333 HydrophobicContact CE2-CE1 3.87Å; F256-F333 AromaticContact CG-CE1 3.94Å; F256-F333 HydrophobicContact CG-CE1 3.94Å; F256-F333 AromaticContact CZ-CD1 3.88Å; F256-F333 HydrophobicContact CZ-CD1 3.88Å; F256-F333 AromaticContact CZ-CE1 3.71Å; F256-F333 HydrophobicContact CZ-CE1 3.71Å; F325-F333 HydrophobicContact CD1-CZ 4.46Å; F325-F333 HydrophobicContact CE1-CE2 4.27Å; F325-F333 AromaticContact CE1-CZ 3.67Å; F325-F333 HydrophobicContact CE1-CZ 3.67Å; F325-F333 AromaticContact CZ-CZ 3.77Å; F325-F333 HydrophobicContact CZ-CZ 3.77Å; E326-F333 HydrophobicContact CG-CE2 4.42Å; N329-F333 HydrophobicContact CB-CD1 4.12Å; N329-F333 HydrophobicContact CB-CD2 4.18Å; N329-F333 HydrophobicContact CB-CE1 3.63Å; N329-F333 HydrophobicContact CB-CE2 3.71Å; N329-F333 HydrophobicContact CB-CG 4.39Å; N329-F333 HydrophobicContact CB-CZ 3.4Å; N329-F333 VanDerWaalsContact O-CG 3.31Å; N329-F333 WeakPolarHBondContact O-CG 3.38Å; N329-F333 PolarHBondContact O-N 2.86Å; F333-A335 VanDerWaalsContact C-N 3.33Å; F333-T336 PolarHBondContact O-N 3.5Å; F333-T336 PolarHBondContact O-OG1 2.87Å; F333-I366 HydrophobicContact CE1-CD1 4.2Å; F333-I366 HydrophobicContact CE2-CG2 4.37Å; F333-I366 HydrophobicContact CZ-CD1 4.31Å; F333-I366 HydrophobicContact CZ-CG2 4.11Å; F333-K368 HydrophobicContact CD2-CB 4.08Å; F333-K368 HydrophobicContact CD2-CG 3.68Å; F333-K368 HydrophobicContact CE2-CB 4.15Å; F333-K368 HydrophobicContact CE2-CG 4.2Å; F333-I369 HydrophobicContact CB-CD1 3.91Å; F333-I369 HydrophobicContact CD1-CD1 3.63Å; F333-I369 HydrophobicContact CD1-CG1 4.28Å; F333-I369 HydrophobicContact CE1-CD1 4.35Å; F333-I369 HydrophobicContact CG-CD1 3.88Å; F333-L372 HydrophobicContact CB-CD1 3.78Å
334	R	98.4	Very high	98.3	Very high	147 Å²	147	45.1 Å²	45.1	56%	0.555	21%	0.213	S	C	*	.	H	α-helix	trans	-70	-29.7	176.6	-72.2	178.4	-173.5	-76.6	-1.6	112.8	M330 D331 L332 T336 M337	M330-R334 WeakPolarHBondContact O-CB 3.44Å; M330-R334 VanDerWaalsContact O-CG 3.24Å; M330-R334 WeakPolarHBondContact O-CG 3.43Å; M330-R334 PolarHBondContact O-N 2.95Å; M330-R334 HydrophobicContact SD-CG 4.25Å; M330-R334 PolarHBondContact SD-NE 3.44Å; D331-R334 PolarHBondContact O-N 2.99Å; L332-R334 VanDerWaalsContact C-N 3.34Å; L332-R334 PolarHBondContact O-N 3.32Å; R334-T336 PolarHBondContact O-N 3.39Å; R334-M337 PolarHBondContact O-N 3.14Å; R334-M337 VanDerWaalsContact O-N 3.14Å
335	A	98.1	Very high	98.2	Very high	37 Å²	37	49 Å²	49	31%	0.306	23%	0.232	S	C	.	.	H	α-helix	trans	-59.6	-31.7	177.1	0	0	0	0	0	111.9	D331 L332 F333 M337 K338 P339	D331-A335 WeakPolarHBondContact O-CB 3.4Å; D331-A335 PolarHBondContact O-N 3.35Å; L332-A335 WeakPolarHBondContact O-CB 3.35Å; L332-A335 PolarHBondContact O-N 2.89Å; L332-A335 VanDerWaalsContact O-N 3.16Å; F333-A335 VanDerWaalsContact C-N 3.33Å; A335-M337 PolarHBondContact O-N 3.41Å; A335-M337 VanDerWaalsContact O-N 3.15Å; A335-K338 PolarHBondContact O-N 2.85Å; A335-K338 VanDerWaalsContact O-N 3.16Å; A335-P339 VanDerWaalsContact O-CD 3.29Å; A335-P339 WeakPolarHBondContact O-CD 3.48Å
336	T	98.6	Very high	98	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-23.6	177	69.7	0	0	0	0	114	F221 L223 F228 L251 L332 F333 R334 K338 P339 V340 I369	F221-T336 HydrophobicContact CZ-CG2 4.27Å; L223-T336 HydrophobicContact CD1-CG2 4.35Å; L223-T336 HydrophobicContact CD2-CG2 4.42Å; F228-T336 HydrophobicContact CD1-CG2 4.35Å; F228-T336 HydrophobicContact CD2-CG2 4.47Å; F228-T336 VanDerWaalsContact CE1-CA 3.45Å; F228-T336 HydrophobicContact CE1-CG2 4.23Å; F228-T336 VanDerWaalsContact CE1-O 3.22Å; F228-T336 WeakPolarHBondContact CE1-O 3.48Å; F228-T336 HydrophobicContact CE2-CG2 4.39Å; F228-T336 HydrophobicContact CG-CG2 4.47Å; F228-T336 HydrophobicContact CZ-CG2 4.25Å; F228-T336 VanDerWaalsContact CZ-O 3.25Å; F228-T336 WeakPolarHBondContact CZ-O 3.28Å; L251-T336 HydrophobicContact CD2-CG2 4.05Å; L332-T336 PolarHBondContact O-N 3.44Å; F333-T336 PolarHBondContact O-N 3.5Å; F333-T336 PolarHBondContact O-OG1 2.87Å; R334-T336 PolarHBondContact O-N 3.39Å; T336-K338 VanDerWaalsContact C-N 3.34Å; T336-K338 PolarHBondContact O-N 2.98Å; T336-P339 WeakPolarHBondContact O-CD 3.4Å; T336-V340 WeakPolarHBondContact O-CG2 3.32Å; T336-I369 HydrophobicContact CG2-CD1 4.43Å
337	M	98.5	Very high	97.9	Very high	20 Å²	20	50.1 Å²	50.1	10%	0.099	24%	0.24	C	C	.	.	H	α-helix	trans	-77.2	-19.5	-179.2	-62.8	-64.2	97	0	0	113.2	F221 R334 A335 V340 Q341 L372 V373 F376	F221-M337 HydrophobicContact CE2-CE 3.54Å; F221-M337 HydrophobicContact CZ-CE 4.05Å; R334-M337 PolarHBondContact O-N 3.14Å; R334-M337 VanDerWaalsContact O-N 3.14Å; A335-M337 PolarHBondContact O-N 3.41Å; A335-M337 VanDerWaalsContact O-N 3.15Å; M337-V340 HydrophobicContact CE-CG2 4.17Å; M337-V340 PolarHBondContact O-N 3.49Å; M337-Q341 WeakPolarHBondContact O-CG 3.48Å; M337-Q341 PolarHBondContact O-N 3Å; M337-L372 HydrophobicContact SD-CB 4.34Å; M337-V373 HydrophobicContact CE-CG2 3.81Å; M337-F376 HydrophobicContact SD-CB 3.85Å; M337-F376 HydrophobicContact SD-CD2 4.13Å; M337-F376 HydrophobicContact SD-CG 4.1Å
338	K	97.4	Very high	97.8	Very high	138 Å²	138	51.7 Å²	51.7	60%	0.6	25%	0.252	S	S	*	.	H	α-helix	trans	-69	-46.7	-179.9	-69.9	-180	-179.5	177.5	0	112	A335 T336 V340 Q341 K342	A335-K338 PolarHBondContact O-N 2.85Å; A335-K338 VanDerWaalsContact O-N 3.16Å; T336-K338 VanDerWaalsContact C-N 3.34Å; T336-K338 PolarHBondContact O-N 2.98Å; K338-V340 VanDerWaalsContact C-N 3.29Å; K338-V340 PolarHBondContact O-N 3.28Å; K338-Q341 WeakPolarHBondContact O-CB 3.39Å; K338-Q341 PolarHBondContact O-N 3.3Å; K338-K342 WeakPolarHBondContact O-CG 3.33Å; K338-K342 PolarHBondContact O-N 3.47Å
339	P	97.6	Very high	97.8	Very high	12 Å²	12	52.2 Å²	52.2	8%	0.078	26%	0.255	C	S	.	.	H	α-helix	trans	-57.6	-38.8	170.7	-31.8	40.9	0	0	0	113.4	F228 V230 N246 A335 T336 Q341 K342 V343	F228-P339 HydrophobicContact CD1-CG 4.13Å; F228-P339 HydrophobicContact CE1-CB 3.81Å; F228-P339 HydrophobicContact CE1-CG 3.66Å; V230-P339 HydrophobicContact CG2-CB 3.97Å; N246-P339 HydrophobicContact CB-CB 4.05Å; A335-P339 VanDerWaalsContact O-CD 3.29Å; A335-P339 WeakPolarHBondContact O-CD 3.48Å; T336-P339 WeakPolarHBondContact O-CD 3.4Å; P339-Q341 VanDerWaalsContact C-N 3.34Å; P339-Q341 PolarHBondContact O-N 3.49Å; P339-K342 PolarHBondContact O-N 3.3Å; P339-V343 PolarHBondContact O-N 2.99Å
340	V	98.4	Very high	97.7	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-60.1	-42.4	175.3	-175.3	0	0	0	0	111.9	L219 F221 V230 T336 M337 K338 V343 L344 F376 F377	L219-V340 HydrophobicContact CD1-CG1 4.18Å; F221-V340 HydrophobicContact CD2-CG2 3.79Å; F221-V340 HydrophobicContact CE2-CG2 3.85Å; V230-V340 HydrophobicContact CG1-CG2 4.15Å; V230-V340 HydrophobicContact CG2-CG2 3.81Å; T336-V340 WeakPolarHBondContact O-CG2 3.32Å; M337-V340 HydrophobicContact CE-CG2 4.17Å; M337-V340 PolarHBondContact O-N 3.49Å; K338-V340 VanDerWaalsContact C-N 3.29Å; K338-V340 PolarHBondContact O-N 3.28Å; V340-V343 VanDerWaalsContact O-CG2 3.23Å; V340-V343 WeakPolarHBondContact O-CG2 3.38Å; V340-L344 WeakPolarHBondContact O-CG 3.15Å; V340-L344 PolarHBondContact O-N 3.18Å; V340-F376 HydrophobicContact CB-CE1 4.36Å; V340-F376 HydrophobicContact CB-CZ 4.47Å; V340-F376 HydrophobicContact CG1-CD1 3.84Å; V340-F376 HydrophobicContact CG1-CE1 3.42Å; V340-F376 VanDerWaalsContact CG1-CE1 3.42Å; V340-F376 HydrophobicContact CG1-CZ 3.96Å; V340-F377 HydrophobicContact CG1-CE2 3.86Å; V340-F377 HydrophobicContact CG1-CZ 3.7Å
341	Q	98.3	Very high	97.7	Very high	88 Å²	88	60.7 Å²	60.7	41%	0.411	29%	0.291	S	S	.	.	H	α-helix	trans	-62.4	-45.8	174.7	-71.5	169.7	-18	0	0	111.6	M337 K338 P339 L344 E345 F376	M337-Q341 WeakPolarHBondContact O-CG 3.48Å; M337-Q341 PolarHBondContact O-N 3Å; K338-Q341 WeakPolarHBondContact O-CB 3.39Å; K338-Q341 PolarHBondContact O-N 3.3Å; P339-Q341 VanDerWaalsContact C-N 3.34Å; P339-Q341 PolarHBondContact O-N 3.49Å; Q341-L344 PolarHBondContact O-N 2.93Å; Q341-E345 WeakPolarHBondContact O-CG 3.13Å; Q341-E345 PolarHBondContact O-N 2.79Å; Q341-F376 HydrophobicContact CG-CE2 3.48Å; Q341-F376 VanDerWaalsContact CG-CE2 3.48Å; Q341-F376 HydrophobicContact CG-CZ 3.57Å
342	K	96.2	Very high	97.7	Very high	96 Å²	96	61.2 Å²	61.2	42%	0.417	30%	0.301	S	S	.	.	H	α-helix	trans	-63.5	-41.4	-178.6	-73.3	177	174.8	-177.1	0	113.2	N246 K338 P339 L344 E345 D346	N246-K342 HydrophobicContact CB-CB 4.46Å; N246-K342 WeakPolarHBondContact OD1-CD 3.1Å; K338-K342 WeakPolarHBondContact O-CG 3.33Å; K338-K342 PolarHBondContact O-N 3.47Å; P339-K342 PolarHBondContact O-N 3.3Å; K342-L344 VanDerWaalsContact C-N 3.31Å; K342-L344 PolarHBondContact O-N 3.2Å; K342-E345 PolarHBondContact O-N 3.07Å; K342-D346 WeakPolarHBondContact O-CB 3.39Å; K342-D346 PolarHBondContact O-N 3.5Å
343	V	97.9	Very high	97.6	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-66.3	-35.8	178.5	-62.4	0	0	0	0	111.6	L219 V230 A244 N246 P339 V340 D346 S347	L219-V343 HydrophobicContact CD1-CG2 4.04Å; V230-V343 HydrophobicContact CB-CG1 4.3Å; V230-V343 HydrophobicContact CB-CG2 4.44Å; V230-V343 HydrophobicContact CG1-CG1 4.34Å; V230-V343 HydrophobicContact CG1-CG2 3.68Å; A244-V343 HydrophobicContact CB-CB 4.25Å; N246-V343 HydrophobicContact CB-CG1 3.68Å; P339-V343 PolarHBondContact O-N 2.99Å; V340-V343 VanDerWaalsContact O-CG2 3.23Å; V340-V343 WeakPolarHBondContact O-CG2 3.38Å; V343-D346 PolarHBondContact O-N 3.48Å; V343-S347 VanDerWaalsContact O-CB 3.29Å; V343-S347 WeakPolarHBondContact O-CB 3.22Å; V343-S347 PolarHBondContact O-N 2.9Å; V343-S347 PolarHBondContact O-OG 3.42Å
344	L	98.3	Very high	97.6	Very high	12 Å²	12	62.7 Å²	62.7	6%	0.063	31%	0.309	C	S	.	.	H	α-helix	trans	-65.9	-42.5	174	-70.6	177	0	0	0	111.8	L232 V340 Q341 K342 S347 D348 L349 K351 I354 F376 F377	L232-L344 HydrophobicContact CD1-CD2 4.36Å; V340-L344 WeakPolarHBondContact O-CG 3.15Å; V340-L344 PolarHBondContact O-N 3.18Å; Q341-L344 PolarHBondContact O-N 2.93Å; K342-L344 VanDerWaalsContact C-N 3.31Å; K342-L344 PolarHBondContact O-N 3.2Å; L344-S347 PolarHBondContact O-N 3.34Å; L344-D348 PolarHBondContact O-N 2.99Å; L344-L349 HydrophobicContact CD2-CB 4.47Å; L344-L349 PolarHBondContact O-N 3.32Å; L344-L349 VanDerWaalsContact O-N 3.07Å; L344-K351 HydrophobicContact CD1-CG 3.86Å; L344-I354 HydrophobicContact CD2-CD1 3.74Å; L344-I354 HydrophobicContact CD2-CG1 3.82Å; L344-F376 HydrophobicContact CD1-CE1 3.74Å; L344-F376 HydrophobicContact CD1-CZ 4.14Å; L344-F377 HydrophobicContact CD1-CE1 4.2Å; L344-F377 HydrophobicContact CD1-CZ 4.42Å
345	E	97.2	Very high	97.6	Very high	133 Å²	133	58.7 Å²	58.7	62%	0.621	30%	0.299	S	S	*	.	H	α-helix	trans	-62.3	-46.2	174.9	-72.5	171.6	-170.1	0	0	111.8	Q341 K342 S347 D348	Q341-E345 WeakPolarHBondContact O-CG 3.13Å; Q341-E345 PolarHBondContact O-N 2.79Å; K342-E345 PolarHBondContact O-N 3.07Å; E345-S347 VanDerWaalsContact C-N 3.29Å; E345-S347 PolarHBondContact O-N 3.06Å; E345-D348 PolarHBondContact O-N 2.86Å
346	D	93.9	Very high	97.5	Very high	45 Å²	45	59.4 Å²	59.4	24%	0.241	30%	0.296	C	S	.	.	H	α-helix	trans	-70.2	-25.1	-178.4	-76.8	-7.8	0	0	0	113.1	A244 K342 V343 R437 N438	A244-D346 HydrophobicContact CB-CB 3.75Å; K342-D346 WeakPolarHBondContact O-CB 3.39Å; K342-D346 PolarHBondContact O-N 3.5Å; V343-D346 PolarHBondContact O-N 3.48Å; D346-R437 IonicContact OD1-CZ 3.35Å; D346-R437 IonicContact OD1-NE 3.5Å; D346-R437 IonicContact OD1-NH2 3.62Å; D346-R437 PolarHBondContact OD1-NH2 3.45Å; D346-R437 IonicContact OD2-CZ 2.94Å; D346-R437 IonicContact OD2-NE 3.58Å; D346-R437 PolarHBondContact OD2-NE 3.33Å; D346-R437 IonicContact OD2-NH2 3.55Å; D346-R437 PolarHBondContact OD2-NH2 3.47Å; D346-N438 WeakPolarHBondContact CB-ND2 3.08Å; D346-N438 PolarHBondContact OD2-ND2 3.37Å; D346-N438 VanDerWaalsContact OD2-ND2 3.1Å
347	S	96.7	Very high	97.4	Very high	13 Å²	13	59.4 Å²	59.4	9%	0.091	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-1	175.4	-60.3	0	0	0	0	114	L232 V243 A244 V343 L344 E345 L349	L232-S347 VanDerWaalsContact CD1-OG 3.23Å; L232-S347 WeakPolarHBondContact CD1-OG 3.44Å; V243-S347 WeakPolarHBondContact CG1-OG 3.45Å; A244-S347 WeakPolarHBondContact CB-OG 3.49Å; V343-S347 VanDerWaalsContact O-CB 3.29Å; V343-S347 WeakPolarHBondContact O-CB 3.22Å; V343-S347 PolarHBondContact O-N 2.9Å; V343-S347 PolarHBondContact O-OG 3.42Å; L344-S347 PolarHBondContact O-N 3.34Å; E345-S347 VanDerWaalsContact C-N 3.29Å; E345-S347 PolarHBondContact O-N 3.06Å; S347-L349 PolarHBondContact O-N 2.96Å; S347-L349 VanDerWaalsContact O-N 3.12Å
348	D	97.1	Very high	97.4	Very high	155 Å²	155	58.5 Å²	58.5	83%	0.829	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	27.5	-172.4	-69.4	-48.3	0	0	0	113.9	L344 E345	L344-D348 PolarHBondContact O-N 2.99Å; E345-D348 PolarHBondContact O-N 2.86Å
349	L	97.6	Very high	97.4	Very high	43 Å²	43	52.8 Å²	52.8	23%	0.225	27%	0.267	C	S	.	.			trans	-106.1	147.2	-179.6	-65.7	-168.3	0	0	0	112.2	N217 L232 L344 S347 D353 I354	N217-L349 HydrophobicContact CB-CD1 4.22Å; L232-L349 HydrophobicContact CD1-CB 4.21Å; L232-L349 HydrophobicContact CD1-CD1 3.62Å; L232-L349 HydrophobicContact CD1-CG 4.19Å; L232-L349 HydrophobicContact CD2-CD1 4.1Å; L232-L349 HydrophobicContact CG-CD1 4.5Å; L344-L349 HydrophobicContact CD2-CB 4.47Å; L344-L349 PolarHBondContact O-N 3.32Å; L344-L349 VanDerWaalsContact O-N 3.07Å; S347-L349 PolarHBondContact O-N 2.96Å; S347-L349 VanDerWaalsContact O-N 3.12Å; L349-D353 HydrophobicContact CB-CB 4.35Å; L349-D353 HydrophobicContact CD2-CB 4.33Å; L349-I354 HydrophobicContact CD1-CD1 4.49Å
350	K	97.8	Very high	97.4	Very high	148 Å²	148	52.3 Å²	52.3	64%	0.643	26%	0.264	S	S	*	.			trans	-91.9	162.1	173	-59.6	170.7	-172.6	165.1	0	109.9	S352 D353	K350-S352 PolarHBondContact O-N 3.06Å; K350-S352 VanDerWaalsContact O-N 3.11Å; K350-D353 VanDerWaalsContact CB-OD2 3.32Å; K350-D353 WeakPolarHBondContact CB-OD2 3.23Å; K350-D353 PolarHBondContact N-OD2 2.93Å; K350-D353 WeakPolarHBondContact O-CB 3.38Å; K350-D353 PolarHBondContact O-N 2.77Å
351	K	98.1	Very high	97.3	Very high	74 Å²	74	52.7 Å²	52.7	32%	0.322	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-53.3	-33.3	173.4	-64.8	173.7	171.2	-162.6	0	113.5	L344 D353 F376 F377	L344-K351 HydrophobicContact CD1-CG 3.86Å; K351-D353 PolarHBondContact O-N 2.99Å; K351-F376 HydrophobicContact CD-CE1 4.29Å; K351-F376 VanDerWaalsContact CD-O 3.24Å; K351-F376 WeakPolarHBondContact CD-O 3.42Å; K351-F376 VanDerWaalsContact CE-CE1 3.45Å; K351-F376 VanDerWaalsContact CE-CZ 3.44Å; K351-F376 VanDerWaalsContact CE-O 3.25Å; K351-F376 WeakPolarHBondContact CE-O 3.25Å; K351-F376 HydrophobicContact CG-CE1 4.15Å; K351-F376 PolarHBondContact NZ-O 3.18Å; K351-F377 HydrophobicContact CB-CD1 4.08Å; K351-F377 HydrophobicContact CB-CE1 4.39Å; K351-F377 HydrophobicContact CG-CD1 4.34Å; K351-F377 HydrophobicContact CG-CE1 4.38Å
352	S	97.8	Very high	97.2	Very high	97 Å²	97	50 Å²	50	68%	0.678	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-69.3	-21.3	178.2	50.2	0	0	0	0	113.7	K350 I354	K350-S352 PolarHBondContact O-N 3.06Å; K350-S352 VanDerWaalsContact O-N 3.11Å; S352-I354 VanDerWaalsContact C-N 3.29Å
353	D	98.1	Very high	97.3	Very high	56 Å²	56	46 Å²	46	30%	0.299	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-90.1	-3.2	-172.9	-48.2	-23.1	0	0	0	110.9	N217 L349 K350 K351	N217-D353 VanDerWaalsContact CB-O 3.31Å; N217-D353 WeakPolarHBondContact CB-O 3.09Å; N217-D353 PolarHBondContact ND2-O 3.38Å; N217-D353 VanDerWaalsContact ND2-O 3.1Å; L349-D353 HydrophobicContact CB-CB 4.35Å; L349-D353 HydrophobicContact CD2-CB 4.33Å; K350-D353 VanDerWaalsContact CB-OD2 3.32Å; K350-D353 WeakPolarHBondContact CB-OD2 3.23Å; K350-D353 PolarHBondContact N-OD2 2.93Å; K350-D353 WeakPolarHBondContact O-CB 3.38Å; K350-D353 PolarHBondContact O-N 2.77Å; K351-D353 PolarHBondContact O-N 2.99Å
354	I	98.3	Very high	97.3	Very high	2 Å²	2	46 Å²	46	1%	0.01	25%	0.248	C	C	.	.			trans	-85.8	114.7	175.1	-56.1	-52.2	0	0	0	109.6	N217 L219 L232 L344 L349 S352 E356 I357 F377 K380	N217-I354 HydrophobicContact CB-CD1 4.42Å; L219-I354 HydrophobicContact CB-CG2 3.8Å; L232-I354 HydrophobicContact CD1-CD1 4Å; L232-I354 HydrophobicContact CD2-CD1 4.3Å; L232-I354 HydrophobicContact CG-CD1 4.01Å; L344-I354 HydrophobicContact CD2-CD1 3.74Å; L344-I354 HydrophobicContact CD2-CG1 3.82Å; L349-I354 HydrophobicContact CD1-CD1 4.49Å; S352-I354 VanDerWaalsContact C-N 3.29Å; I354-E356 VanDerWaalsContact CG2-O 3.31Å; I354-E356 WeakPolarHBondContact CG2-O 3.47Å; I354-I357 HydrophobicContact CG2-CG1 4.15Å; I354-F377 HydrophobicContact CB-CD1 4.5Å; I354-F377 HydrophobicContact CB-CE1 4.19Å; I354-F377 HydrophobicContact CG1-CE1 3.8Å; I354-F377 HydrophobicContact CG2-CE1 4.45Å; I354-K380 WeakPolarHBondContact O-CE 3.21Å; I354-K380 PolarHBondContact O-NZ 3.1Å
355	D	97	Very high	97.3	Very high	64 Å²	64	50.8 Å²	50.8	34%	0.342	27%	0.266	S	S	.	.			trans	-80.8	-36.6	-176.9	-64.8	-61	0	0	0	112.3	K216 N217 I218 K380	K216-D355 WeakPolarHBondContact CA-OD2 3.48Å; K216-D355 HydrophobicContact CB-CB 3.97Å; K216-D355 HydrophobicContact CD-CB 4.42Å; K216-D355 HydrophobicContact CG-CB 4.19Å; N217-D355 PolarHBondContact N-OD2 2.88Å; N217-D355 PolarHBondContact O-N 2.57Å; I218-D355 HydrophobicContact CD1-CB 4.5Å; D355-K380 VanDerWaalsContact C-CE 3.42Å; D355-K380 WeakPolarHBondContact O-CE 3.2Å; D355-K380 PolarHBondContact O-NZ 2.88Å
356	E	96.3	Very high	97.4	Very high	51 Å²	51	44.6 Å²	44.6	24%	0.238	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	148.5	178	-55.2	-79	178	0	0	111.2	Y207 N217 I218 L219 I354	Y207-E356 HydrophobicContact CE1-CB 4.37Å; Y207-E356 HydrophobicContact CE1-CG 4.29Å; Y207-E356 VanDerWaalsContact OH-CG 3.24Å; Y207-E356 WeakPolarHBondContact OH-CG 3.41Å; N217-E356 PolarHBondContact O-N 2.91Å; I218-E356 HydrophobicContact CD1-CB 3.74Å; I218-E356 HydrophobicContact CD1-CG 3.89Å; I218-E356 HydrophobicContact CG2-CB 4.35Å; L219-E356 PolarHBondContact N-O 3.4Å; I354-E356 VanDerWaalsContact CG2-O 3.31Å; I354-E356 WeakPolarHBondContact CG2-O 3.47Å
357	I	98	Very high	97.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	119.6	173.1	-58.5	161	0	0	0	106.9	L219 I354 L359 V373 F377 K380 P382 S383	L219-I357 HydrophobicContact CD2-CG2 4.28Å; L219-I357 CarbonylContact O-C 3.52Å; L219-I357 WeakPolarHBondContact O-CA 3.34Å; I354-I357 HydrophobicContact CG2-CG1 4.15Å; I357-L359 HydrophobicContact CG2-CD2 4.2Å; I357-V373 HydrophobicContact CD1-CG1 4.42Å; I357-V373 HydrophobicContact CG2-CG1 3.78Å; I357-F377 HydrophobicContact CD1-CB 3.68Å; I357-F377 HydrophobicContact CD1-CD1 4.28Å; I357-F377 HydrophobicContact CD1-CD2 3.34Å; I357-F377 HydrophobicContact CD1-CE2 4.05Å; I357-F377 HydrophobicContact CD1-CG 3.5Å; I357-F377 HydrophobicContact CG1-CD2 4.12Å; I357-F377 HydrophobicContact CG1-CE2 4.35Å; I357-F377 HydrophobicContact CG1-CG 4.38Å; I357-K380 HydrophobicContact CD1-CB 4.18Å; I357-K380 HydrophobicContact CD1-CD 3.87Å; I357-K380 HydrophobicContact CD1-CG 4.14Å; I357-K380 HydrophobicContact CG1-CD 4.24Å; I357-P382 HydrophobicContact CB-CB 4.41Å; I357-P382 HydrophobicContact CG2-CB 4.32Å; I357-P382 CarbonylContact O-C 3.51Å; I357-P382 WeakPolarHBondContact O-CA 3.36Å; I357-S383 PolarHBondContact O-N 3.41Å
358	V	97.6	Very high	97.7	Very high	1 Å²	1	45 Å²	45	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	121.2	-179.4	175.2	0	0	0	0	108.6	Y207 I218 L219 V220 F221 V360 I386	Y207-V358 HydrophobicContact CD1-CG2 4.12Å; Y207-V358 HydrophobicContact CD2-CG2 4.02Å; Y207-V358 HydrophobicContact CE2-CG2 4.43Å; Y207-V358 HydrophobicContact CG-CG2 3.85Å; I218-V358 HydrophobicContact CG2-CB 4.38Å; I218-V358 HydrophobicContact CG2-CG2 3.6Å; L219-V358 PolarHBondContact O-N 3.26Å; V220-V358 WeakPolarHBondContact CA-O 3.15Å; V220-V358 HydrophobicContact CG2-CB 4.3Å; F221-V358 PolarHBondContact N-O 2.77Å; V358-V360 HydrophobicContact CG1-CG2 3.88Å; V358-I386 HydrophobicContact CG1-CD1 3.44Å; V358-I386 VanDerWaalsContact CG1-CD1 3.44Å; V358-I386 HydrophobicContact CG2-CD1 4.27Å
359	L	98	Very high	97.8	Very high	19 Å²	19	37.6 Å²	37.6	10%	0.099	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	127.7	176.4	-60.7	-174.3	0	0	0	110.4	F221 I357 T364 Q370 V373 P382	F221-L359 HydrophobicContact CB-CD2 3.84Å; F221-L359 HydrophobicContact CD1-CD2 3.99Å; F221-L359 HydrophobicContact CG-CD2 4.13Å; F221-L359 WeakPolarHBondContact O-CA 3.47Å; I357-L359 HydrophobicContact CG2-CD2 4.2Å; L359-T364 HydrophobicContact CB-CG2 4.15Å; L359-Q370 HydrophobicContact CD1-CG 3.85Å; L359-V373 HydrophobicContact CD2-CG1 4.38Å; L359-P382 HydrophobicContact CD1-CB 3.82Å; L359-P382 HydrophobicContact CD1-CG 3.74Å; L359-P382 HydrophobicContact CD2-CB 4.45Å; L359-P382 HydrophobicContact CG-CB 3.71Å; L359-P382 HydrophobicContact CG-CG 4.07Å
360	V	97.2	Very high	97.8	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	151.9	-177.4	-171.3	0	0	0	0	109.1	A203 V220 F221 D222 L223 V358 T364 A391 V392	A203-V360 HydrophobicContact CB-CB 4.35Å; A203-V360 HydrophobicContact CB-CG1 4.03Å; A203-V360 HydrophobicContact CB-CG2 3.47Å; A203-V360 VanDerWaalsContact CB-CG2 3.47Å; V220-V360 HydrophobicContact CG1-CG2 3.77Å; F221-V360 PolarHBondContact O-N 3.33Å; D222-V360 WeakPolarHBondContact CA-O 3.43Å; D222-V360 HydrophobicContact CB-CB 4.05Å; L223-V360 PolarHBondContact N-O 3.33Å; V358-V360 HydrophobicContact CG1-CG2 3.88Å; V360-T364 WeakPolarHBondContact O-CG2 3.19Å; V360-A391 HydrophobicContact CG1-CB 4.29Å; V360-V392 HydrophobicContact CG1-CG2 3.56Å
361	G	96.8	Very high	97.8	Very high	9 Å²	9	36.3 Å²	36.3	9%	0.093	19%	0.194	C	C	.	.	S	Bend	trans	84.3	136.6	-179.1	0	0	0	0	0	112.6	L223 S363 T364 P388	L223-G361 CarbonylContact O-C 3.51Å; L223-G361 VanDerWaalsContact O-C 3.31Å; G361-S363 PolarHBondContact O-N 3.42Å; G361-T364 WeakPolarHBondContact O-CB 3.36Å; G361-T364 PolarHBondContact O-N 3.09Å; G361-T364 PolarHBondContact O-OG1 2.66Å; G361-P388 PolarHBondContact N-O 3.2Å
362	G	95.9	Very high	97.9	Very high	31 Å²	31	33.4 Å²	33.4	32%	0.32	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-59	-24	-170.8	0	0	0	0	0	115.3	T364 R365 D389	G362-T364 VanDerWaalsContact C-N 3.25Å; G362-T364 PolarHBondContact O-N 2.77Å; G362-R365 VanDerWaalsContact O-CB 3.31Å; G362-R365 WeakPolarHBondContact O-CB 3.4Å; G362-R365 WeakPolarHBondContact O-CG 3.38Å; G362-R365 PolarHBondContact O-N 2.93Å; G362-D389 WeakPolarHBondContact CA-OD1 3.39Å
363	S	98.5	Very high	97.9	Very high	11 Å²	11	28.8 Å²	28.8	8%	0.077	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-74.8	-14.2	178.6	-59	0	0	0	0	113	L223 G224 G253 G361 R365 I366	L223-S363 VanDerWaalsContact O-CB 3.23Å; L223-S363 WeakPolarHBondContact O-CB 3.39Å; L223-S363 PolarHBondContact O-N 3.07Å; L223-S363 VanDerWaalsContact O-N 3.15Å; G224-S363 PolarHBondContact O-OG 2.96Å; G253-S363 VanDerWaalsContact CA-OG 3.32Å; G253-S363 WeakPolarHBondContact CA-OG 3.43Å; G253-S363 PolarHBondContact N-OG 2.89Å; G361-S363 PolarHBondContact O-N 3.42Å; S363-R365 PolarHBondContact O-N 2.76Å; S363-I366 WeakPolarHBondContact O-CB 3.45Å; S363-I366 WeakPolarHBondContact O-CD1 3.43Å; S363-I366 VanDerWaalsContact O-CG1 3.25Å; S363-I366 WeakPolarHBondContact O-CG1 3.47Å; S363-I366 PolarHBondContact O-N 3.28Å
364	T	98.3	Very high	97.9	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.012	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-70	-10.3	170.4	63.6	0	0	0	0	113.5	F221 L223 L359 V360 G361 G362 I366 Q370	F221-T364 HydrophobicContact CD1-CG2 3.87Å; F221-T364 HydrophobicContact CE1-CG2 4.14Å; L223-T364 HydrophobicContact CB-CG2 3.86Å; L359-T364 HydrophobicContact CB-CG2 4.15Å; V360-T364 WeakPolarHBondContact O-CG2 3.19Å; G361-T364 WeakPolarHBondContact O-CB 3.36Å; G361-T364 PolarHBondContact O-N 3.09Å; G361-T364 PolarHBondContact O-OG1 2.66Å; G362-T364 VanDerWaalsContact C-N 3.25Å; G362-T364 PolarHBondContact O-N 2.77Å; T364-I366 PolarHBondContact O-N 3.39Å; T364-Q370 WeakPolarHBondContact O-CG 3.17Å; T364-Q370 PolarHBondContact O-NE2 3.45Å
365	R	97.6	Very high	97.9	Very high	112 Å²	112	34.7 Å²	34.7	42%	0.423	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-69.2	-14.2	171.1	-61.8	176.8	177.9	-81.6	3.9	112.7	G362 S363 P367 D389	G362-R365 VanDerWaalsContact O-CB 3.31Å; G362-R365 WeakPolarHBondContact O-CB 3.4Å; G362-R365 WeakPolarHBondContact O-CG 3.38Å; G362-R365 PolarHBondContact O-N 2.93Å; S363-R365 PolarHBondContact O-N 2.76Å; R365-P367 WeakPolarHBondContact O-CD 3.45Å; R365-D389 IonicContact CZ-OD2 2.76Å; R365-D389 IonicContact NE-OD2 3.96Å; R365-D389 PolarHBondContact NE-OD2 3.11Å; R365-D389 IonicContact NH2-OD2 2.61Å; R365-D389 PolarHBondContact NH2-OD2 2.96Å
366	I	98.7	Very high	98	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.015	16%	0.163	C	C	.	.	S	Bend	trans	-66	121.3	178	-64.9	168.6	0	0	0	109.6	F256 F325 F333 S363 T364 K368 I369 Q370	F256-I366 HydrophobicContact CD2-CD1 3.7Å; F256-I366 HydrophobicContact CE2-CD1 3.85Å; F325-I366 HydrophobicContact CE1-CD1 4.27Å; F325-I366 HydrophobicContact CE1-CG1 4.43Å; F325-I366 HydrophobicContact CE1-CG2 4.04Å; F325-I366 HydrophobicContact CZ-CD1 4.05Å; F333-I366 HydrophobicContact CE1-CD1 4.2Å; F333-I366 HydrophobicContact CE2-CG2 4.37Å; F333-I366 HydrophobicContact CZ-CD1 4.31Å; F333-I366 HydrophobicContact CZ-CG2 4.11Å; S363-I366 WeakPolarHBondContact O-CB 3.45Å; S363-I366 WeakPolarHBondContact O-CD1 3.43Å; S363-I366 VanDerWaalsContact O-CG1 3.25Å; S363-I366 WeakPolarHBondContact O-CG1 3.47Å; S363-I366 PolarHBondContact O-N 3.28Å; T364-I366 PolarHBondContact O-N 3.39Å; I366-K368 HydrophobicContact CG2-CB 4.17Å; I366-K368 PolarHBondContact O-N 2.89Å; I366-K368 VanDerWaalsContact O-N 3.14Å; I366-I369 HydrophobicContact CB-CB 4.28Å; I366-I369 HydrophobicContact CB-CG1 3.94Å; I366-I369 HydrophobicContact CG2-CG1 4.08Å; I366-I369 WeakPolarHBondContact O-CB 3.23Å; I366-I369 PolarHBondContact O-N 2.91Å; I366-Q370 PolarHBondContact O-N 3.46Å
367	P	98.4	Very high	98.1	Very high	35 Å²	35	30.8 Å²	30.8	23%	0.227	15%	0.153	C	C	.	.	H	α-helix	trans	-57.3	-34.9	-177.1	-29.3	36	0	0	0	114	S298 R365 Q370 Q371	S298-P367 VanDerWaalsContact O-CG 3.31Å; S298-P367 WeakPolarHBondContact O-CG 3.33Å; R365-P367 WeakPolarHBondContact O-CD 3.45Å; P367-Q370 PolarHBondContact O-N 3.01Å; P367-Q371 VanDerWaalsContact O-CB 3.3Å; P367-Q371 WeakPolarHBondContact O-CB 3.25Å; P367-Q371 PolarHBondContact O-N 3.45Å
368	K	98.8	Very high	98.1	Very high	31 Å²	31	37.1 Å²	37.1	14%	0.135	19%	0.187	C	C	.	.	H	α-helix	trans	-65.8	-36.6	177.1	-173.3	56.8	62.5	-171.9	0	112.8	E326 M330 F333 I366 Q371 L372	E326-K368 HydrophobicContact CG-CB 3.96Å; E326-K368 HydrophobicContact CG-CG 4.28Å; E326-K368 WeakPolarHBondContact OE2-CE 3.44Å; E326-K368 IonicContact OE2-NZ 2.87Å; E326-K368 PolarHBondContact OE2-NZ 3.19Å; M330-K368 HydrophobicContact CE-CD 4.1Å; M330-K368 HydrophobicContact CE-CG 4.25Å; F333-K368 HydrophobicContact CD2-CB 4.08Å; F333-K368 HydrophobicContact CD2-CG 3.68Å; F333-K368 HydrophobicContact CE2-CB 4.15Å; F333-K368 HydrophobicContact CE2-CG 4.2Å; I366-K368 HydrophobicContact CG2-CB 4.17Å; I366-K368 PolarHBondContact O-N 2.89Å; I366-K368 VanDerWaalsContact O-N 3.14Å; K368-Q371 PolarHBondContact O-N 2.8Å; K368-L372 HydrophobicContact CD-CD1 4.5Å; K368-L372 HydrophobicContact CD-CG 4.32Å; K368-L372 HydrophobicContact CG-CD1 4.22Å; K368-L372 HydrophobicContact CG-CG 4.5Å; K368-L372 WeakPolarHBondContact O-CB 3.25Å; K368-L372 VanDerWaalsContact O-CG 3.26Å; K368-L372 WeakPolarHBondContact O-CG 3.44Å; K368-L372 PolarHBondContact O-N 3.3Å
369	I	98.6	Very high	98.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65.6	-49.6	176.6	-66.9	-64.6	0	0	0	109.7	F221 L223 F333 T336 I366 Q371 L372 V373	F221-I369 HydrophobicContact CE1-CG2 3.68Å; F221-I369 HydrophobicContact CZ-CG2 4.06Å; L223-I369 HydrophobicContact CD2-CD1 3.86Å; L223-I369 HydrophobicContact CD2-CG1 3.99Å; L223-I369 HydrophobicContact CD2-CG2 4.28Å; F333-I369 HydrophobicContact CB-CD1 3.91Å; F333-I369 HydrophobicContact CD1-CD1 3.63Å; F333-I369 HydrophobicContact CD1-CG1 4.28Å; F333-I369 HydrophobicContact CE1-CD1 4.35Å; F333-I369 HydrophobicContact CG-CD1 3.88Å; T336-I369 HydrophobicContact CG2-CD1 4.43Å; I366-I369 HydrophobicContact CB-CB 4.28Å; I366-I369 HydrophobicContact CB-CG1 3.94Å; I366-I369 HydrophobicContact CG2-CG1 4.08Å; I366-I369 WeakPolarHBondContact O-CB 3.23Å; I366-I369 PolarHBondContact O-N 2.91Å; I369-Q371 VanDerWaalsContact C-N 3.29Å; I369-Q371 PolarHBondContact O-N 3.35Å; I369-L372 PolarHBondContact O-N 3.19Å; I369-L372 VanDerWaalsContact O-N 3.16Å; I369-V373 WeakPolarHBondContact O-CG2 3.37Å; I369-V373 PolarHBondContact O-N 2.94Å
370	Q	98.3	Very high	98.1	Very high	83 Å²	83	41.1 Å²	41.1	39%	0.388	21%	0.214	S	C	.	.	H	α-helix	trans	-58.9	-42.4	176.9	-60.7	-176.4	-4.4	0	0	111.8	L359 T364 I366 P367 V373 K374	L359-Q370 HydrophobicContact CD1-CG 3.85Å; T364-Q370 WeakPolarHBondContact O-CG 3.17Å; T364-Q370 PolarHBondContact O-NE2 3.45Å; I366-Q370 PolarHBondContact O-N 3.46Å; P367-Q370 PolarHBondContact O-N 3.01Å; Q370-V373 PolarHBondContact O-N 3.03Å; Q370-K374 VanDerWaalsContact O-CB 3.23Å; Q370-K374 WeakPolarHBondContact O-CB 3.37Å; Q370-K374 PolarHBondContact O-N 3.19Å
371	Q	98.5	Very high	98	Very high	80 Å²	80	45.8 Å²	45.8	37%	0.374	24%	0.236	S	C	.	.	H	α-helix	trans	-59.8	-48.9	175.3	-180	-178.4	3	0	0	111.5	P367 K368 I369 V373 K374 E375	P367-Q371 VanDerWaalsContact O-CB 3.3Å; P367-Q371 WeakPolarHBondContact O-CB 3.25Å; P367-Q371 PolarHBondContact O-N 3.45Å; K368-Q371 PolarHBondContact O-N 2.8Å; I369-Q371 VanDerWaalsContact C-N 3.29Å; I369-Q371 PolarHBondContact O-N 3.35Å; Q371-V373 PolarHBondContact O-N 3.47Å; Q371-K374 PolarHBondContact O-N 3.32Å; Q371-E375 HydrophobicContact CG-CG 4.28Å; Q371-E375 VanDerWaalsContact CG-OE1 3.25Å; Q371-E375 WeakPolarHBondContact CG-OE1 3.46Å; Q371-E375 PolarHBondContact NE2-OE1 2.8Å; Q371-E375 WeakPolarHBondContact O-CB 3.41Å; Q371-E375 VanDerWaalsContact O-CG 3.28Å; Q371-E375 WeakPolarHBondContact O-CG 3.45Å; Q371-E375 PolarHBondContact O-N 3.24Å
372	L	98.7	Very high	98	Very high	13 Å²	13	46.2 Å²	46.2	7%	0.068	24%	0.237	C	C	.	.	H	α-helix	trans	-62.6	-43.4	-179.4	-74.3	170.5	0	0	0	112	F333 M337 K368 I369 E375 F376	F333-L372 HydrophobicContact CB-CD1 3.78Å; M337-L372 HydrophobicContact SD-CB 4.34Å; K368-L372 HydrophobicContact CD-CD1 4.5Å; K368-L372 HydrophobicContact CD-CG 4.32Å; K368-L372 HydrophobicContact CG-CD1 4.22Å; K368-L372 HydrophobicContact CG-CG 4.5Å; K368-L372 WeakPolarHBondContact O-CB 3.25Å; K368-L372 VanDerWaalsContact O-CG 3.26Å; K368-L372 WeakPolarHBondContact O-CG 3.44Å; K368-L372 PolarHBondContact O-N 3.3Å; I369-L372 PolarHBondContact O-N 3.19Å; I369-L372 VanDerWaalsContact O-N 3.16Å; L372-E375 PolarHBondContact O-N 3.07Å; L372-F376 VanDerWaalsContact O-CB 3.26Å; L372-F376 WeakPolarHBondContact O-CB 3.34Å; L372-F376 PolarHBondContact O-N 2.8Å
373	V	98.4	Very high	97.8	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.006	23%	0.233	C	C	.	.	H	α-helix	trans	-61.7	-49.4	175.8	173.8	0	0	0	0	110.3	F221 M337 I357 L359 I369 Q370 Q371 E375 F376 F377	F221-V373 HydrophobicContact CD1-CG2 4.43Å; F221-V373 HydrophobicContact CD2-CG2 3.96Å; F221-V373 HydrophobicContact CE1-CG2 4.29Å; F221-V373 HydrophobicContact CE2-CG2 3.8Å; F221-V373 HydrophobicContact CG-CG2 4.28Å; F221-V373 HydrophobicContact CZ-CG2 3.96Å; M337-V373 HydrophobicContact CE-CG2 3.81Å; I357-V373 HydrophobicContact CD1-CG1 4.42Å; I357-V373 HydrophobicContact CG2-CG1 3.78Å; L359-V373 HydrophobicContact CD2-CG1 4.38Å; I369-V373 WeakPolarHBondContact O-CG2 3.37Å; I369-V373 PolarHBondContact O-N 2.94Å; Q370-V373 PolarHBondContact O-N 3.03Å; Q371-V373 PolarHBondContact O-N 3.47Å; V373-E375 PolarHBondContact O-N 3.04Å; V373-F376 WeakPolarHBondContact O-CB 3.43Å; V373-F376 PolarHBondContact O-N 3.02Å; V373-F377 HydrophobicContact CG1-CD2 4.14Å; V373-F377 HydrophobicContact CG1-CE2 4.39Å; V373-F377 WeakPolarHBondContact O-CD2 3.48Å; V373-F377 PolarHBondContact O-N 3.29Å
374	K	98.4	Very high	97.1	Very high	71 Å²	71	56.2 Å²	56.2	31%	0.309	27%	0.269	S	S	.	.	H	α-helix	trans	-60.1	-45.8	178.4	178.2	175.8	178.3	-179.3	0	112.4	Q370 Q371 F376 F377 N378 G379 E381	Q370-K374 VanDerWaalsContact O-CB 3.23Å; Q370-K374 WeakPolarHBondContact O-CB 3.37Å; Q370-K374 PolarHBondContact O-N 3.19Å; Q371-K374 PolarHBondContact O-N 3.32Å; K374-F376 VanDerWaalsContact C-N 3.31Å; K374-F376 PolarHBondContact O-N 3.25Å; K374-F377 CarbonylContact O-C 3.57Å; K374-F377 PolarHBondContact O-N 2.85Å; K374-N378 PolarHBondContact O-N 2.76Å; K374-G379 VanDerWaalsContact CE-O 3.28Å; K374-G379 WeakPolarHBondContact CE-O 3.38Å; K374-G379 WeakPolarHBondContact O-CA 3.36Å; K374-G379 PolarHBondContact O-N 3.49Å; K374-E381 WeakPolarHBondContact CE-OE1 3.49Å; K374-E381 IonicContact NZ-OE1 3.67Å; K374-E381 PolarHBondContact NZ-OE1 3.05Å; K374-E381 IonicContact NZ-OE2 3.09Å
375	E	98.3	Very high	96.2	Very high	111 Å²	111	59.5 Å²	59.5	52%	0.519	30%	0.303	S	S	.	.	H	α-helix	trans	-62	-40.9	176	-76.3	174.7	-175.4	0	0	111.3	Q371 L372 V373 F377 N378	Q371-E375 HydrophobicContact CG-CG 4.28Å; Q371-E375 VanDerWaalsContact CG-OE1 3.25Å; Q371-E375 WeakPolarHBondContact CG-OE1 3.46Å; Q371-E375 PolarHBondContact NE2-OE1 2.8Å; Q371-E375 WeakPolarHBondContact O-CB 3.41Å; Q371-E375 VanDerWaalsContact O-CG 3.28Å; Q371-E375 WeakPolarHBondContact O-CG 3.45Å; Q371-E375 PolarHBondContact O-N 3.24Å; L372-E375 PolarHBondContact O-N 3.07Å; V373-E375 PolarHBondContact O-N 3.04Å; E375-F377 VanDerWaalsContact C-N 3.3Å; E375-F377 PolarHBondContact O-N 2.91Å; E375-N378 PolarHBondContact O-N 3.47Å
376	F	98.5	Very high	95.8	Very high	23 Å²	23	55.7 Å²	55.7	10%	0.101	29%	0.29	C	S	.	.	H	α-helix	trans	-59.8	-41.9	176.9	-174.7	-90	0	0	0	111.5	M337 V340 Q341 L344 K351 L372 V373 K374 N378	M337-F376 HydrophobicContact SD-CB 3.85Å; M337-F376 HydrophobicContact SD-CD2 4.13Å; M337-F376 HydrophobicContact SD-CG 4.1Å; V340-F376 HydrophobicContact CB-CE1 4.36Å; V340-F376 HydrophobicContact CB-CZ 4.47Å; V340-F376 HydrophobicContact CG1-CD1 3.84Å; V340-F376 HydrophobicContact CG1-CE1 3.42Å; V340-F376 VanDerWaalsContact CG1-CE1 3.42Å; V340-F376 HydrophobicContact CG1-CZ 3.96Å; Q341-F376 HydrophobicContact CG-CE2 3.48Å; Q341-F376 VanDerWaalsContact CG-CE2 3.48Å; Q341-F376 HydrophobicContact CG-CZ 3.57Å; L344-F376 HydrophobicContact CD1-CE1 3.74Å; L344-F376 HydrophobicContact CD1-CZ 4.14Å; K351-F376 HydrophobicContact CD-CE1 4.29Å; K351-F376 VanDerWaalsContact CD-O 3.24Å; K351-F376 WeakPolarHBondContact CD-O 3.42Å; K351-F376 VanDerWaalsContact CE-CE1 3.45Å; K351-F376 VanDerWaalsContact CE-CZ 3.44Å; K351-F376 VanDerWaalsContact CE-O 3.25Å; K351-F376 WeakPolarHBondContact CE-O 3.25Å; K351-F376 HydrophobicContact CG-CE1 4.15Å; K351-F376 PolarHBondContact NZ-O 3.18Å; L372-F376 VanDerWaalsContact O-CB 3.26Å; L372-F376 WeakPolarHBondContact O-CB 3.34Å; L372-F376 PolarHBondContact O-N 2.8Å; V373-F376 WeakPolarHBondContact O-CB 3.43Å; V373-F376 PolarHBondContact O-N 3.02Å; K374-F376 VanDerWaalsContact C-N 3.31Å; K374-F376 PolarHBondContact O-N 3.25Å; F376-N378 VanDerWaalsContact C-N 3.31Å; F376-N378 PolarHBondContact O-N 3.38Å
377	F	98.4	Very high	95.5	Very high	9 Å²	9	58.3 Å²	58.3	4%	0.039	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	33.8	176.4	-68.4	-78.5	0	0	0	113.7	L219 V340 L344 K351 I354 I357 V373 K374 E375 G379 K380	L219-F377 HydrophobicContact CD1-CZ 3.79Å; L219-F377 HydrophobicContact CD2-CE2 4.1Å; L219-F377 HydrophobicContact CD2-CZ 4.14Å; L219-F377 HydrophobicContact CG-CZ 4.45Å; V340-F377 HydrophobicContact CG1-CE2 3.86Å; V340-F377 HydrophobicContact CG1-CZ 3.7Å; L344-F377 HydrophobicContact CD1-CE1 4.2Å; L344-F377 HydrophobicContact CD1-CZ 4.42Å; K351-F377 HydrophobicContact CB-CD1 4.08Å; K351-F377 HydrophobicContact CB-CE1 4.39Å; K351-F377 HydrophobicContact CG-CD1 4.34Å; K351-F377 HydrophobicContact CG-CE1 4.38Å; I354-F377 HydrophobicContact CB-CD1 4.5Å; I354-F377 HydrophobicContact CB-CE1 4.19Å; I354-F377 HydrophobicContact CG1-CE1 3.8Å; I354-F377 HydrophobicContact CG2-CE1 4.45Å; I357-F377 HydrophobicContact CD1-CB 3.68Å; I357-F377 HydrophobicContact CD1-CD1 4.28Å; I357-F377 HydrophobicContact CD1-CD2 3.34Å; I357-F377 HydrophobicContact CD1-CE2 4.05Å; I357-F377 HydrophobicContact CD1-CG 3.5Å; I357-F377 HydrophobicContact CG1-CD2 4.12Å; I357-F377 HydrophobicContact CG1-CE2 4.35Å; I357-F377 HydrophobicContact CG1-CG 4.38Å; V373-F377 HydrophobicContact CG1-CD2 4.14Å; V373-F377 HydrophobicContact CG1-CE2 4.39Å; V373-F377 WeakPolarHBondContact O-CD2 3.48Å; V373-F377 PolarHBondContact O-N 3.29Å; K374-F377 CarbonylContact O-C 3.57Å; K374-F377 PolarHBondContact O-N 2.85Å; E375-F377 VanDerWaalsContact C-N 3.3Å; E375-F377 PolarHBondContact O-N 2.91Å; F377-G379 PolarHBondContact O-N 3.05Å; F377-G379 VanDerWaalsContact O-N 3.08Å; F377-K380 HydrophobicContact CB-CB 3.92Å; F377-K380 WeakPolarHBondContact O-CB 3.2Å; F377-K380 PolarHBondContact O-N 2.7Å
378	N	97.9	Very high	95.3	Very high	134 Å²	134	57.6 Å²	57.6	72%	0.717	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	31.7	169	-56.8	102.1	0	0	0	114.6	K374 E375 F376	K374-N378 PolarHBondContact O-N 2.76Å; E375-N378 PolarHBondContact O-N 3.47Å; F376-N378 VanDerWaalsContact C-N 3.31Å; F376-N378 PolarHBondContact O-N 3.38Å
379	G	97.6	Very high	95.1	Very high	37 Å²	37	58.2 Å²	58.2	38%	0.381	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.1	-1.9	178.8	0	0	0	0	0	115.1	K374 F377 E381	K374-G379 VanDerWaalsContact CE-O 3.28Å; K374-G379 WeakPolarHBondContact CE-O 3.38Å; K374-G379 WeakPolarHBondContact O-CA 3.36Å; K374-G379 PolarHBondContact O-N 3.49Å; F377-G379 PolarHBondContact O-N 3.05Å; F377-G379 VanDerWaalsContact O-N 3.08Å; G379-E381 PolarHBondContact O-N 3.09Å
380	K	97.9	Very high	95	Very high	67 Å²	67	59.8 Å²	59.8	29%	0.291	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-60	126.1	175.5	-168.7	-177.3	-178.3	97.7	0	110.5	I354 D355 I357 F377	I354-K380 WeakPolarHBondContact O-CE 3.21Å; I354-K380 PolarHBondContact O-NZ 3.1Å; D355-K380 VanDerWaalsContact C-CE 3.42Å; D355-K380 WeakPolarHBondContact O-CE 3.2Å; D355-K380 PolarHBondContact O-NZ 2.88Å; I357-K380 HydrophobicContact CD1-CB 4.18Å; I357-K380 HydrophobicContact CD1-CD 3.87Å; I357-K380 HydrophobicContact CD1-CG 4.14Å; I357-K380 HydrophobicContact CG1-CD 4.24Å; F377-K380 HydrophobicContact CB-CB 3.92Å; F377-K380 WeakPolarHBondContact O-CB 3.2Å; F377-K380 PolarHBondContact O-N 2.7Å
381	E	96.6	Very high	95	Very high	98 Å²	98	56 Å²	56	46%	0.458	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-78.4	140.5	178.1	-67	-72.9	-175.9	0	0	110.5	K374 G379	K374-E381 WeakPolarHBondContact CE-OE1 3.49Å; K374-E381 IonicContact NZ-OE1 3.67Å; K374-E381 PolarHBondContact NZ-OE1 3.05Å; K374-E381 IonicContact NZ-OE2 3.09Å; G379-E381 PolarHBondContact O-N 3.09Å
382	P	95	Very high	94.9	Very high	19 Å²	19	52.4 Å²	52.4	12%	0.123	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-66.2	151.9	168.7	-15.1	28.1	0	0	0	112.7	I357 L359	I357-P382 HydrophobicContact CB-CB 4.41Å; I357-P382 HydrophobicContact CG2-CB 4.32Å; I357-P382 CarbonylContact O-C 3.51Å; I357-P382 WeakPolarHBondContact O-CA 3.36Å; L359-P382 HydrophobicContact CD1-CB 3.82Å; L359-P382 HydrophobicContact CD1-CG 3.74Å; L359-P382 HydrophobicContact CD2-CB 4.45Å; L359-P382 HydrophobicContact CG-CB 3.71Å; L359-P382 HydrophobicContact CG-CG 4.07Å
383	S	91.9	Very high	94.9	Very high	32 Å²	32	51.8 Å²	51.8	22%	0.224	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-61.7	140.7	174.6	-178.1	0	0	0	0	110.9	I357	I357-S383 PolarHBondContact O-N 3.41Å
384	R	84.3	Confident	94.9	Very high	220 Å²	220	54.7 Å²	54.7	83%	0.83	29%	0.286	S	S	*	.			trans	-105.9	-1.2	-178.6	-61.7	-177.2	-179.5	-178.2	0	113.4	I386	R384-I386 VanDerWaalsContact C-N 3.26Å; R384-I386 PolarHBondContact O-N 3.36Å
385	G	79.8	Confident	94.8	Very high	71 Å²	71	51.3 Å²	51.3	73%	0.732	27%	0.272	S	S	*	.	S	Bend	trans	-80	1	-169.7	0	0	0	0	0	115.3
386	I	87.8	Confident	94.8	Very high	31 Å²	31	46 Å²	46	16%	0.159	25%	0.247	C	C	.	.	S	Bend	trans	-128.6	138.2	-172	-53	179.9	0	0	0	110.2	Y207 V358 R384 P388 A391	Y207-I386 HydrophobicContact CD2-CD1 3.55Å; Y207-I386 HydrophobicContact CD2-CG1 4.01Å; Y207-I386 HydrophobicContact CG-CD1 3.82Å; V358-I386 HydrophobicContact CG1-CD1 3.44Å; V358-I386 VanDerWaalsContact CG1-CD1 3.44Å; V358-I386 HydrophobicContact CG2-CD1 4.27Å; R384-I386 VanDerWaalsContact C-N 3.26Å; R384-I386 PolarHBondContact O-N 3.36Å; I386-P388 WeakPolarHBondContact O-CD 3.35Å; I386-A391 HydrophobicContact CG2-CB 3.3Å
387	N	93.8	Very high	94.8	Very high	58 Å²	58	45 Å²	45	31%	0.31	24%	0.242	S	C	.	.			trans	-77.7	114.9	168.7	-174.9	-11.7	0	0	0	110	D389 E390 A391	N387-D389 PolarHBondContact O-N 3.16Å; N387-D389 VanDerWaalsContact O-N 3.12Å; N387-D389 PolarHBondContact OD1-N 2.91Å; N387-D389 VanDerWaalsContact OD1-N 3.16Å; N387-E390 HydrophobicContact CB-CB 4.19Å; N387-E390 WeakPolarHBondContact ND2-CG 3.34Å; N387-E390 PolarHBondContact ND2-OE1 3.44Å; N387-E390 PolarHBondContact ND2-OE2 2.9Å; N387-E390 PolarHBondContact O-N 3.02Å; N387-A391 WeakPolarHBondContact O-CB 3.46Å; N387-A391 PolarHBondContact O-N 3.17Å
388	P	93.9	Very high	94.6	Very high	20 Å²	20	44.5 Å²	44.5	13%	0.13	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-18.7	-174.9	27.6	-36.7	0	0	0	113.9	G361 I386	G361-P388 PolarHBondContact N-O 3.2Å; I386-P388 WeakPolarHBondContact O-CD 3.35Å
389	D	94.2	Very high	94.5	Very high	45 Å²	45	38.6 Å²	38.6	24%	0.241	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-14.6	-178.9	-56.2	-52.1	0	0	0	113	G362 R365 N387	G362-D389 WeakPolarHBondContact CA-OD1 3.39Å; R365-D389 IonicContact CZ-OD2 2.76Å; R365-D389 IonicContact NE-OD2 3.96Å; R365-D389 PolarHBondContact NE-OD2 3.11Å; R365-D389 IonicContact NH2-OD2 2.61Å; R365-D389 PolarHBondContact NH2-OD2 2.96Å; N387-D389 PolarHBondContact O-N 3.16Å; N387-D389 VanDerWaalsContact O-N 3.12Å; N387-D389 PolarHBondContact OD1-N 2.91Å; N387-D389 VanDerWaalsContact OD1-N 3.16Å
390	E	97.2	Very high	94.5	Very high	33 Å²	33	36.8 Å²	36.8	15%	0.154	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-17.2	-174.2	-63.7	173.4	174.3	0	0	112.8	I50 R58 N387 V392 A393 Y394	I50-E390 HydrophobicContact CG1-CB 4.28Å; I50-E390 HydrophobicContact CG2-CG 4.3Å; R58-E390 WeakPolarHBondContact CD-OE1 3.2Å; R58-E390 IonicContact NH1-OE1 2.65Å; R58-E390 PolarHBondContact NH1-OE1 3.04Å; R58-E390 IonicContact NH1-OE2 3.37Å; N387-E390 HydrophobicContact CB-CB 4.19Å; N387-E390 WeakPolarHBondContact ND2-CG 3.34Å; N387-E390 PolarHBondContact ND2-OE1 3.44Å; N387-E390 PolarHBondContact ND2-OE2 2.9Å; N387-E390 PolarHBondContact O-N 3.02Å; E390-V392 VanDerWaalsContact C-N 3.28Å; E390-V392 PolarHBondContact O-N 3.31Å; E390-A393 PolarHBondContact O-N 3.19Å; E390-Y394 WeakPolarHBondContact O-CB 3.31Å; E390-Y394 PolarHBondContact O-N 3.11Å
391	A	96.9	Very high	94.3	Very high	3 Å²	3	33.7 Å²	33.7	3%	0.025	18%	0.177	C	C	.	.	H	α-helix	trans	-54	-42	-174.1	0	0	0	0	0	114	A203 A206 V360 I386 N387 Y394 G395	A203-A391 HydrophobicContact CB-CB 4.1Å; A206-A391 HydrophobicContact CB-CB 4.39Å; A206-A391 VanDerWaalsContact CB-O 3.27Å; A206-A391 WeakPolarHBondContact CB-O 3.5Å; V360-A391 HydrophobicContact CG1-CB 4.29Å; I386-A391 HydrophobicContact CG2-CB 3.3Å; N387-A391 WeakPolarHBondContact O-CB 3.46Å; N387-A391 PolarHBondContact O-N 3.17Å; A391-Y394 WeakPolarHBondContact O-CB 3.46Å; A391-Y394 PolarHBondContact O-N 2.88Å; A391-G395 PolarHBondContact O-N 2.88Å
392	V	98.3	Very high	94.1	Very high	5 Å²	5	31.2 Å²	31.2	3%	0.03	17%	0.169	C	C	.	.	H	α-helix	trans	-68.7	-50	-176.4	176.2	0	0	0	0	110.1	D32 T169 E199 A202 A203 V360 E390 Y394 G395 A396	D32-V392 HydrophobicContact CB-CB 4.21Å; D32-V392 HydrophobicContact CB-CG1 3.85Å; D32-V392 VanDerWaalsContact CG-CG1 3.45Å; D32-V392 WeakPolarHBondContact OD1-CG1 3.45Å; T169-V392 HydrophobicContact CG2-CG1 3.41Å; T169-V392 VanDerWaalsContact CG2-CG1 3.41Å; E199-V392 HydrophobicContact CB-CG1 4.11Å; E199-V392 HydrophobicContact CB-CG2 4.3Å; E199-V392 HydrophobicContact CG-CG1 3.84Å; A202-V392 HydrophobicContact CB-CG1 4.34Å; A202-V392 WeakPolarHBondContact CB-O 3.5Å; A203-V392 HydrophobicContact CB-CG2 4.39Å; V360-V392 HydrophobicContact CG1-CG2 3.56Å; E390-V392 VanDerWaalsContact C-N 3.28Å; E390-V392 PolarHBondContact O-N 3.31Å; V392-Y394 PolarHBondContact O-N 3.36Å; V392-G395 PolarHBondContact O-N 3.14Å; V392-A396 WeakPolarHBondContact O-CB 3.43Å; V392-A396 PolarHBondContact O-N 2.84Å
393	A	98.4	Very high	93.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.2	-35.2	175.2	0	0	0	0	0	111.7	D32 C39 I50 E390 A396 A397	D32-A393 HydrophobicContact CB-CB 3.82Å; C39-A393 HydrophobicContact CB-CB 3.68Å; C39-A393 VanDerWaalsContact SG-CB 3.52Å; I50-A393 HydrophobicContact CD1-CB 4.18Å; E390-A393 PolarHBondContact O-N 3.19Å; A393-A396 PolarHBondContact O-N 3.05Å; A393-A397 WeakPolarHBondContact O-CB 3.33Å; A393-A397 PolarHBondContact O-N 3.26Å
394	Y	97.7	Very high	93.8	Very high	62 Å²	62	32.5 Å²	32.5	24%	0.243	17%	0.174	C	C	.	.	H	α-helix	trans	-60	-53.5	175.8	-170.9	-71.4	0	0	0	111.4	V48 A206 L209 E390 A391 V392 A396 A397 V398	V48-Y394 HydrophobicContact CB-CD1 4.31Å; V48-Y394 HydrophobicContact CB-CD2 3.68Å; V48-Y394 HydrophobicContact CB-CE1 4.09Å; V48-Y394 HydrophobicContact CB-CE2 3.44Å; V48-Y394 VanDerWaalsContact CB-CE2 3.44Å; V48-Y394 HydrophobicContact CB-CG 4.11Å; V48-Y394 HydrophobicContact CG1-CD1 4.48Å; V48-Y394 HydrophobicContact CG1-CD2 3.6Å; V48-Y394 HydrophobicContact CG1-CE2 3.92Å; V48-Y394 HydrophobicContact CG1-CG 3.91Å; V48-Y394 HydrophobicContact CG2-CD1 3.89Å; V48-Y394 HydrophobicContact CG2-CD2 4.18Å; V48-Y394 HydrophobicContact CG2-CE1 3.6Å; V48-Y394 HydrophobicContact CG2-CE2 3.94Å; V48-Y394 HydrophobicContact CG2-CG 4.15Å; A206-Y394 HydrophobicContact CB-CD1 3.55Å; A206-Y394 HydrophobicContact CB-CE1 4.38Å; A206-Y394 HydrophobicContact CB-CG 4Å; L209-Y394 HydrophobicContact CD2-CE1 4.29Å; E390-Y394 WeakPolarHBondContact O-CB 3.31Å; E390-Y394 PolarHBondContact O-N 3.11Å; A391-Y394 WeakPolarHBondContact O-CB 3.46Å; A391-Y394 PolarHBondContact O-N 2.88Å; V392-Y394 PolarHBondContact O-N 3.36Å; Y394-A396 VanDerWaalsContact C-N 3.33Å; Y394-A396 PolarHBondContact O-N 3.34Å; Y394-A397 WeakPolarHBondContact O-CB 3.15Å; Y394-A397 PolarHBondContact O-N 2.98Å; Y394-A397 VanDerWaalsContact O-N 3.14Å; Y394-V398 HydrophobicContact CD1-CG2 4.03Å; Y394-V398 HydrophobicContact CE1-CG2 3.86Å; Y394-V398 WeakPolarHBondContact O-CG2 3.42Å; Y394-V398 PolarHBondContact O-N 2.98Å
395	G	96.7	Very high	93.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64	-37.3	178.2	0	0	0	0	0	113.5	A202 A391 V392 A397 V398 Q399	A202-G395 VanDerWaalsContact O-CA 3.25Å; A202-G395 WeakPolarHBondContact O-CA 3.42Å; A391-G395 PolarHBondContact O-N 2.88Å; V392-G395 PolarHBondContact O-N 3.14Å; G395-A397 VanDerWaalsContact C-N 3.28Å; G395-A397 PolarHBondContact O-N 2.88Å; G395-V398 PolarHBondContact O-N 3Å; G395-Q399 PolarHBondContact O-N 3.31Å
396	A	98.1	Very high	93.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61.9	-38.3	173.4	0	0	0	0	0	111.6	V167 T169 I197 V392 A393 Y394 Q399 A400	V167-A396 HydrophobicContact CG1-CB 4.26Å; T169-A396 HydrophobicContact CG2-CB 3.8Å; I197-A396 HydrophobicContact CG2-CB 4.2Å; V392-A396 WeakPolarHBondContact O-CB 3.43Å; V392-A396 PolarHBondContact O-N 2.84Å; A393-A396 PolarHBondContact O-N 3.05Å; Y394-A396 VanDerWaalsContact C-N 3.33Å; Y394-A396 PolarHBondContact O-N 3.34Å; A396-Q399 PolarHBondContact O-N 2.91Å; A396-A400 WeakPolarHBondContact O-CB 3.45Å; A396-A400 PolarHBondContact O-N 2.94Å
397	A	97.6	Very high	92.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-69.2	-38.1	176.9	0	0	0	0	0	112.2	G41 F43 V48 A393 Y394 G395 A400 G401	G41-A397 VanDerWaalsContact C-CB 3.5Å; F43-A397 WeakPolarHBondContact CB-O 3.29Å; V48-A397 HydrophobicContact CG1-CB 3.85Å; V48-A397 HydrophobicContact CG2-CB 4.36Å; A393-A397 WeakPolarHBondContact O-CB 3.33Å; A393-A397 PolarHBondContact O-N 3.26Å; Y394-A397 WeakPolarHBondContact O-CB 3.15Å; Y394-A397 PolarHBondContact O-N 2.98Å; Y394-A397 VanDerWaalsContact O-N 3.14Å; G395-A397 VanDerWaalsContact C-N 3.28Å; G395-A397 PolarHBondContact O-N 2.88Å; A397-A400 WeakPolarHBondContact O-CB 3.16Å; A397-A400 PolarHBondContact O-N 2.83Å; A397-G401 PolarHBondContact O-N 3.41Å
398	V	95.6	Very high	91.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-59.9	-49.6	171	176.4	0	0	0	0	110.3	F43 V48 I205 L209 Y394 G395 A400 G401 V402 V412	F43-V398 HydrophobicContact CD2-CG2 4.33Å; V48-V398 HydrophobicContact CG2-CG2 3.53Å; I205-V398 HydrophobicContact CG2-CB 3.73Å; I205-V398 HydrophobicContact CG2-CG1 3.63Å; I205-V398 HydrophobicContact CG2-CG2 4.09Å; L209-V398 HydrophobicContact CD1-CG1 4.11Å; L209-V398 HydrophobicContact CD2-CG2 3.95Å; Y394-V398 HydrophobicContact CD1-CG2 4.03Å; Y394-V398 HydrophobicContact CE1-CG2 3.86Å; Y394-V398 WeakPolarHBondContact O-CG2 3.42Å; Y394-V398 PolarHBondContact O-N 2.98Å; G395-V398 PolarHBondContact O-N 3Å; V398-A400 PolarHBondContact O-N 3.09Å; V398-G401 PolarHBondContact O-N 3.31Å; V398-G401 VanDerWaalsContact O-N 3.09Å; V398-V402 WeakPolarHBondContact O-CG2 3.36Å; V398-V402 PolarHBondContact O-N 3.01Å; V398-V412 HydrophobicContact CG1-CG2 4.27Å
399	Q	95.4	Very high	90.5	Very high	9 Å²	9	34.7 Å²	34.7	4%	0.042	19%	0.191	C	C	.	.	H	α-helix	trans	-60.9	-36	177.8	-176.7	60.9	50.9	0	0	112.1	V167 R195 I197 G395 A396 V402 L403	V167-Q399 HydrophobicContact CG1-CB 4.42Å; V167-Q399 HydrophobicContact CG1-CG 4.3Å; V167-Q399 HydrophobicContact CG2-CG 4.33Å; R195-Q399 HydrophobicContact CG-CG 4.45Å; I197-Q399 HydrophobicContact CD1-CB 4.04Å; I197-Q399 HydrophobicContact CD1-CG 4.16Å; G395-Q399 PolarHBondContact O-N 3.31Å; A396-Q399 PolarHBondContact O-N 2.91Å; Q399-V402 PolarHBondContact O-N 3.2Å; Q399-L403 HydrophobicContact CG-CD1 4.27Å; Q399-L403 VanDerWaalsContact O-CG 3.3Å; Q399-L403 WeakPolarHBondContact O-CG 3.35Å; Q399-L403 PolarHBondContact O-N 3.41Å; Q399-L403 VanDerWaalsContact O-N 3.14Å
400	A	96.3	Very high	89.3	Confident	0 Å²	0	35 Å²	35	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-63.6	-44.5	173.8	0	0	0	0	0	111.7	V28 V167 A396 A397 V398 V402 L403 S404	V28-A400 HydrophobicContact CB-CB 4Å; V28-A400 HydrophobicContact CG1-CB 3.69Å; V28-A400 WeakPolarHBondContact O-CB 3.21Å; V167-A400 HydrophobicContact CB-CB 4.27Å; V167-A400 HydrophobicContact CG2-CB 3.81Å; A396-A400 WeakPolarHBondContact O-CB 3.45Å; A396-A400 PolarHBondContact O-N 2.94Å; A397-A400 WeakPolarHBondContact O-CB 3.16Å; A397-A400 PolarHBondContact O-N 2.83Å; V398-A400 PolarHBondContact O-N 3.09Å; A400-V402 PolarHBondContact O-N 2.97Å; A400-L403 PolarHBondContact O-N 2.85Å; A400-L403 VanDerWaalsContact O-N 3.16Å; A400-S404 PolarHBondContact O-N 2.84Å; A400-S404 PolarHBondContact O-OG 3.29Å
401	G	94.1	Very high	88.3	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-58.8	-43	174.7	0	0	0	0	0	113.1	A397 V398 L403 S404 G405 E406	A397-G401 PolarHBondContact O-N 3.41Å; V398-G401 PolarHBondContact O-N 3.31Å; V398-G401 VanDerWaalsContact O-N 3.09Å; G401-L403 VanDerWaalsContact C-N 3.29Å; G401-L403 PolarHBondContact O-N 3.45Å; G401-S404 WeakPolarHBondContact CA-OG 3.24Å; G401-S404 PolarHBondContact O-N 2.91Å; G401-S404 PolarHBondContact O-OG 3.25Å; G401-G405 PolarHBondContact O-N 3.25Å; G401-E406 PolarHBondContact O-N 3.44Å; G401-E406 VanDerWaalsContact O-N 3.1Å
402	V	92.1	Very high	87.8	Confident	47 Å²	47	43 Å²	43	29%	0.285	24%	0.243	S	C	.	.	H	α-helix	trans	-61.1	-39.9	176	173.6	0	0	0	0	110.9	V398 Q399 A400 G405 T409 V412	V398-V402 WeakPolarHBondContact O-CG2 3.36Å; V398-V402 PolarHBondContact O-N 3.01Å; Q399-V402 PolarHBondContact O-N 3.2Å; A400-V402 PolarHBondContact O-N 2.97Å; V402-G405 PolarHBondContact O-N 2.96Å; V402-T409 HydrophobicContact CG2-CG2 4.38Å; V402-V412 HydrophobicContact CG2-CB 4.2Å
403	L	91.2	Very high	87.3	Confident	48 Å²	48	46.2 Å²	46.2	25%	0.251	26%	0.263	S	S	.	.	H	α-helix	trans	-78.8	-27.4	-179.2	-68.1	171.6	0	0	0	113.8	V167 M194 R195 Q399 A400 G401	V167-L403 HydrophobicContact CG2-CD1 3.85Å; M194-L403 HydrophobicContact CB-CD1 4.15Å; M194-L403 HydrophobicContact CE-CB 4.15Å; M194-L403 HydrophobicContact SD-CB 4.48Å; R195-L403 HydrophobicContact CB-CD1 3.74Å; Q399-L403 HydrophobicContact CG-CD1 4.27Å; Q399-L403 VanDerWaalsContact O-CG 3.3Å; Q399-L403 WeakPolarHBondContact O-CG 3.35Å; Q399-L403 PolarHBondContact O-N 3.41Å; Q399-L403 VanDerWaalsContact O-N 3.14Å; A400-L403 PolarHBondContact O-N 2.85Å; A400-L403 VanDerWaalsContact O-N 3.16Å; G401-L403 VanDerWaalsContact C-N 3.29Å; G401-L403 PolarHBondContact O-N 3.45Å
404	S	89.5	Confident	87	Confident	30 Å²	30	48.2 Å²	48.2	21%	0.21	27%	0.273	C	S	.	.	H	α-helix	trans	-76.4	-13.9	172.8	60.2	0	0	0	0	112.9	A400 G401 E406	A400-S404 PolarHBondContact O-N 2.84Å; A400-S404 PolarHBondContact O-OG 3.29Å; G401-S404 WeakPolarHBondContact CA-OG 3.24Å; G401-S404 PolarHBondContact O-N 2.91Å; G401-S404 PolarHBondContact O-OG 3.25Å; S404-E406 VanDerWaalsContact OG-CG 3.26Å; S404-E406 WeakPolarHBondContact OG-CG 3.47Å
405	G	84.3	Confident	86.8	Confident	58 Å²	58	47.9 Å²	47.9	60%	0.598	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	27.9	-175.5	0	0	0	0	0	112.9	G401 V402 E407	G401-G405 PolarHBondContact O-N 3.25Å; V402-G405 PolarHBondContact O-N 2.96Å; G405-E407 PolarHBondContact O-N 2.88Å
406	E	78.1	Confident	86.7	Confident	72 Å²	72	48.5 Å²	48.5	34%	0.336	28%	0.279	S	S	.	.			trans	-64.3	130.9	171.8	-73.2	-82.2	167.7	0	0	109.4	F43 G401 S404 T409	F43-E406 HydrophobicContact CD1-CB 4.34Å; G401-E406 PolarHBondContact O-N 3.44Å; G401-E406 VanDerWaalsContact O-N 3.1Å; S404-E406 VanDerWaalsContact OG-CG 3.26Å; S404-E406 WeakPolarHBondContact OG-CG 3.47Å; E406-T409 HydrophobicContact CB-CG2 4.3Å; E406-T409 PolarHBondContact O-OG1 2.84Å
407	E	66.1	Low	86.5	Confident	163 Å²	163	48.7 Å²	48.7	76%	0.762	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	155.6	173.5	-62	-176.5	173.8	0	0	109.5	G405 T409	G405-E407 PolarHBondContact O-N 2.88Å; E407-T409 PolarHBondContact O-N 2.88Å
408	D	72.9	Confident	86.2	Confident	136 Å²	136	49 Å²	49	73%	0.727	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	15.6	177.5	-54.4	-36.3	0	0	0	117.9	F43 G410	F43-D408 WeakPolarHBondContact CZ-O 3.19Å; D408-G410 PolarHBondContact O-N 3.34Å
409	T	69.1	Low	85.8	Confident	17 Å²	17	49.6 Å²	49.6	10%	0.104	29%	0.286	C	S	.	.	S	Bend	trans	-71.5	-13.4	170.6	46.2	0	0	0	0	114.1	F43 V402 E406 E407	F43-T409 HydrophobicContact CD1-CG2 3.49Å; F43-T409 VanDerWaalsContact CD1-CG2 3.49Å; F43-T409 HydrophobicContact CD2-CG2 4.27Å; F43-T409 HydrophobicContact CE1-CG2 3.37Å; F43-T409 HydrophobicContact CE2-CG2 4.17Å; F43-T409 HydrophobicContact CG-CG2 3.96Å; F43-T409 HydrophobicContact CZ-CG2 3.75Å; V402-T409 HydrophobicContact CG2-CG2 4.38Å; E406-T409 HydrophobicContact CB-CG2 4.3Å; E406-T409 PolarHBondContact O-OG1 2.84Å; E407-T409 PolarHBondContact O-N 2.88Å
410	G	68.7	Low	85.5	Confident	51 Å²	51	50.1 Å²	50.1	53%	0.526	29%	0.289	S	S	.	.			trans	78.7	164.3	-170.5	0	0	0	0	0	112.7	D408 V412	D408-G410 PolarHBondContact O-N 3.34Å; G410-V412 VanDerWaalsContact C-N 3.31Å; G410-V412 PolarHBondContact O-N 3.48Å
411	E	77.4	Confident	85.2	Confident	182 Å²	182	50.1 Å²	50.1	85%	0.85	29%	0.289	S	S	*	.			trans	-75.7	83.7	173	-69.3	-175.4	178	0	0	109.6
412	V	85.1	Confident	85.1	Confident	21 Å²	21	50.6 Å²	50.6	13%	0.127	29%	0.291	C	S	.	.			trans	-91.7	116	174.4	-179.8	0	0	0	0	109.6	L209 G238 F240 V398 V402 G410	L209-V412 HydrophobicContact CD1-CG2 3.97Å; G238-V412 WeakPolarHBondContact O-CA 3.47Å; F240-V412 HydrophobicContact CD2-CG1 4.05Å; F240-V412 HydrophobicContact CE2-CG1 3.98Å; V398-V412 HydrophobicContact CG1-CG2 4.27Å; V402-V412 HydrophobicContact CG2-CB 4.2Å; G410-V412 VanDerWaalsContact C-N 3.31Å; G410-V412 PolarHBondContact O-N 3.48Å
413	V	89.1	Confident	85.1	Confident	74 Å²	74	48.4 Å²	48.4	45%	0.448	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.4	173.6	-177.2	0	0	0	0	108.9	G238 V239 F240 L415	G238-V413 PolarHBondContact O-N 3.14Å; V239-V413 WeakPolarHBondContact CA-O 3.37Å; V239-V413 HydrophobicContact CG1-CB 4.47Å; V239-V413 HydrophobicContact CG2-CB 4.28Å; F240-V413 PolarHBondContact N-O 3.48Å; V413-L415 HydrophobicContact CG1-CD1 3.88Å
414	L	92	Very high	85.1	Confident	42 Å²	42	46.4 Å²	46.4	22%	0.22	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	124.2	-178.6	-164.8	95.8	0	0	0	111	T201 I205 F240 D416	T201-L414 HydrophobicContact CG2-CD1 3.18Å; T201-L414 HydrophobicContact CG2-CD2 4.09Å; T201-L414 HydrophobicContact CG2-CG 4.01Å; I205-L414 HydrophobicContact CD1-CD1 3.9Å; I205-L414 HydrophobicContact CG1-CD1 4.33Å; F240-L414 HydrophobicContact CB-CD1 4.31Å; L414-D416 HydrophobicContact CD2-CB 4.18Å
415	L	93.3	Very high	84.9	Confident	54 Å²	54	47.7 Å²	47.7	28%	0.283	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	104.4	167.1	-62.7	92.5	0	0	0	108.2	V239 F240 E241 V242 V413 V440	V239-L415 HydrophobicContact CG1-CD1 3.79Å; F240-L415 PolarHBondContact O-N 2.86Å; E241-L415 WeakPolarHBondContact CA-O 3.31Å; E241-L415 HydrophobicContact CB-CB 4.32Å; E241-L415 HydrophobicContact CG-CB 4.19Å; V242-L415 PolarHBondContact N-O 3.12Å; V413-L415 HydrophobicContact CG1-CD1 3.88Å; L415-V440 HydrophobicContact CB-CG1 4.3Å; L415-V440 HydrophobicContact CD2-CG1 4.33Å
416	D	94.6	Very high	84.6	Confident	14 Å²	14	46.8 Å²	46.8	8%	0.075	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	173.8	178.1	-147.2	-40.5	0	0	0	110.4	N198 T201 V242 L414 V440 V441	N198-D416 PolarHBondContact ND2-OD1 3.42Å; N198-D416 PolarHBondContact ND2-OD2 3.03Å; T201-D416 PolarHBondContact OG1-OD2 3.38Å; V242-D416 HydrophobicContact CG2-CB 4.43Å; L414-D416 HydrophobicContact CD2-CB 4.18Å; D416-V440 CarbonylContact O-C 3.57Å; D416-V440 VanDerWaalsContact O-CA 3.29Å; D416-V440 WeakPolarHBondContact O-CA 3.46Å; D416-V441 HydrophobicContact CB-CG2 4.25Å; D416-V441 WeakPolarHBondContact O-CG2 3.44Å; D416-V441 PolarHBondContact O-N 2.82Å
417	V	94.4	Very high	84.3	Confident	4 Å²	4	49.4 Å²	49.4	2%	0.024	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	159	-176.2	-60.5	0	0	0	0	112.9	V242 T245 N438 T439 V440	V242-V417 HydrophobicContact CB-CG1 4.37Å; V242-V417 HydrophobicContact CB-CG2 4.2Å; V242-V417 HydrophobicContact CG1-CG2 3.67Å; V242-V417 WeakPolarHBondContact O-CG1 3.38Å; T245-V417 HydrophobicContact CG2-CG2 4.05Å; V417-N438 WeakPolarHBondContact CG1-O 3.42Å; V417-N438 HydrophobicContact CG2-CB 4.44Å; V417-T439 CarbonylContact C-O 3.58Å; V417-T439 VanDerWaalsContact CA-O 3.25Å; V417-T439 WeakPolarHBondContact CA-O 3.29Å; V417-T439 WeakPolarHBondContact CB-O 3.46Å; V417-V440 HydrophobicContact CG1-CG2 4.2Å
418	C	90.6	Very high	84.5	Confident	7 Å²	7	45 Å²	45	5%	0.047	27%	0.272	C	S	.	.			trans	-80.2	129.3	170.4	63.9	0	0	0	0	111.3	L420 P436 R437 N438 T439 V441 I501	C418-L420 VanDerWaalsContact C-N 3.33Å; C418-L420 PolarHBondContact O-N 2.85Å; C418-P436 PolarHBondContact SG-O 3.48Å; C418-R437 CarbonylContact O-C 3.55Å; C418-N438 PolarHBondContact O-N 3.22Å; C418-T439 PolarHBondContact N-O 2.89Å; C418-V441 HydrophobicContact CB-CG1 4.05Å; C418-I501 HydrophobicContact CB-CD1 3.75Å
419	P	86.8	Confident	84.8	Confident	12 Å²	12	39.6 Å²	39.6	8%	0.078	25%	0.248	C	C	.	.	S	Bend	trans	-75.2	-19.5	-171.6	30.4	-38.3	0	0	0	114.3	A172 Y173 T245	A172-P419 WeakPolarHBondContact O-CB 3.39Å; A172-P419 WeakPolarHBondContact O-CG 3.4Å; Y173-P419 HydrophobicContact CD2-CB 3.81Å; Y173-P419 HydrophobicContact CE2-CB 4.28Å; T245-P419 HydrophobicContact CG2-CB 3.84Å
420	L	88.8	Confident	85.4	Confident	19 Å²	19	41.8 Å²	41.8	10%	0.099	26%	0.261	C	S	.	.	S	Bend	trans	-130.1	143.1	-172.5	-65.4	172	0	0	0	110.6	Y173 N175 C418 L422 E465	Y173-L420 HydrophobicContact CE1-CD2 4.1Å; Y173-L420 HydrophobicContact CE2-CD2 3.95Å; Y173-L420 WeakPolarHBondContact OH-CD2 3.42Å; N175-L420 HydrophobicContact CB-CD1 4.32Å; C418-L420 VanDerWaalsContact C-N 3.33Å; C418-L420 PolarHBondContact O-N 2.85Å; L420-L422 PolarHBondContact O-N 3.1Å; L420-E465 HydrophobicContact CB-CB 4.2Å; L420-E465 HydrophobicContact CD1-CB 4.27Å; L420-E465 HydrophobicContact CD1-CG 4.04Å
421	T	91.8	Very high	86.2	Confident	1 Å²	1	40 Å²	40	1%	0.006	24%	0.24	C	C	.	.			trans	-65.1	130.1	171.5	-65.7	0	0	0	0	109.8	M431 K433 I435 R437 E465 G466 E467	T421-M431 HydrophobicContact CG2-CE 4.28Å; T421-M431 WeakPolarHBondContact O-CE 3.26Å; T421-K433 HydrophobicContact CG2-CB 3.77Å; T421-K433 HydrophobicContact CG2-CD 3.71Å; T421-K433 HydrophobicContact CG2-CG 3.59Å; T421-I435 CarbonylContact C-O 3.55Å; T421-I435 VanDerWaalsContact CA-O 3.31Å; T421-I435 WeakPolarHBondContact CA-O 3.34Å; T421-R437 PolarHBondContact OG1-N 3.25Å; T421-E465 CarbonylContact O-C 3.47Å; T421-E465 VanDerWaalsContact O-CA 3.26Å; T421-E465 WeakPolarHBondContact O-CA 3.1Å; T421-G466 PolarHBondContact O-N 2.97Å; T421-E467 WeakPolarHBondContact CB-OE1 3.37Å; T421-E467 PolarHBondContact N-OE1 2.87Å; T421-E467 PolarHBondContact OG1-OE1 2.84Å; T421-E467 PolarHBondContact OG1-OE2 2.93Å
422	L	92.3	Very high	86.7	Confident	11 Å²	11	33.1 Å²	33.1	6%	0.058	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	137.4	174.3	-55.4	177.9	0	0	0	110.5	L420 L434 I435 Y464 E465 L477 F499 I501 L507	L420-L422 PolarHBondContact O-N 3.1Å; L422-L434 PolarHBondContact O-N 2.82Å; L422-I435 HydrophobicContact CB-CB 4.35Å; L422-I435 PolarHBondContact N-O 2.87Å; L422-I435 PolarHBondContact O-N 3.19Å; L422-I435 VanDerWaalsContact O-N 3.14Å; L422-Y464 WeakPolarHBondContact CA-O 3.25Å; L422-E465 HydrophobicContact CD2-CB 3.69Å; L422-L477 HydrophobicContact CD2-CD1 3.94Å; L422-F499 HydrophobicContact CB-CD1 3.93Å; L422-F499 HydrophobicContact CB-CE1 3.97Å; L422-F499 HydrophobicContact CD1-CD1 4.41Å; L422-I501 HydrophobicContact CD1-CD1 3.47Å; L422-I501 VanDerWaalsContact CD1-CD1 3.47Å; L422-I501 HydrophobicContact CD1-CG1 3.87Å; L422-L507 HydrophobicContact CD1-CD1 3.82Å; L422-L507 HydrophobicContact CD1-CD2 4.01Å; L422-L507 HydrophobicContact CD1-CG 4.33Å; L422-L507 HydrophobicContact CD2-CD2 4.4Å
423	G	91.4	Very high	86.8	Confident	0 Å²	0	37 Å²	37	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	-177.8	-177.3	0	0	0	0	0	113.5	T432 V463 Y464	G423-T432 CarbonylContact C-O 3.5Å; G423-T432 WeakPolarHBondContact CA-O 3.47Å; G423-V463 WeakPolarHBondContact O-CA 3.49Å; G423-Y464 PolarHBondContact N-O 2.86Å; G423-Y464 PolarHBondContact O-N 2.95Å
424	I	90.6	Very high	87	Confident	7 Å²	7	33.9 Å²	33.9	4%	0.036	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	157.6	176.3	66.9	169.8	0	0	0	112.4	T426 T432 L434 F449 I461 K462 V463 F499	I424-T426 HydrophobicContact CG1-CG2 4.35Å; I424-T432 PolarHBondContact N-O 3.48Å; I424-T432 PolarHBondContact O-N 2.91Å; I424-L434 HydrophobicContact CG1-CD1 4.28Å; I424-F449 HydrophobicContact CD1-CD1 3.87Å; I424-F449 HydrophobicContact CD1-CD2 3.88Å; I424-F449 HydrophobicContact CD1-CE1 3.51Å; I424-F449 HydrophobicContact CD1-CE2 3.49Å; I424-F449 VanDerWaalsContact CD1-CE2 3.49Å; I424-F449 HydrophobicContact CD1-CG 4.05Å; I424-F449 HydrophobicContact CD1-CZ 3.31Å; I424-F449 HydrophobicContact CG1-CE1 4.16Å; I424-F449 HydrophobicContact CG1-CE2 4.43Å; I424-F449 HydrophobicContact CG1-CZ 3.9Å; I424-I461 HydrophobicContact CG2-CG2 3.91Å; I424-K462 CarbonylContact C-O 3.25Å; I424-K462 WeakPolarHBondContact CA-O 3.48Å; I424-K462 WeakPolarHBondContact CB-O 3.33Å; I424-V463 HydrophobicContact CG2-CG2 4.41Å; I424-F499 HydrophobicContact CG2-CE2 3.79Å; I424-F499 HydrophobicContact CG2-CZ 3.51Å
425	E	86.3	Confident	87.1	Confident	56 Å²	56	32.1 Å²	32.1	26%	0.262	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	131	166.7	-174.4	165.3	-105.4	0	0	111.2	K462 Y464 T471	E425-K462 HydrophobicContact CB-CB 4.06Å; E425-K462 PolarHBondContact N-O 3.01Å; E425-K462 VanDerWaalsContact OE2-CD 3.31Å; E425-K462 WeakPolarHBondContact OE2-CD 3.47Å; E425-K462 WeakPolarHBondContact OE2-CE 3.32Å; E425-K462 IonicContact OE2-NZ 3.92Å; E425-K462 PolarHBondContact OE2-NZ 2.84Å; E425-Y464 HydrophobicContact CB-CD2 4.43Å; E425-Y464 HydrophobicContact CB-CE2 3.77Å; E425-T471 HydrophobicContact CB-CG2 3.8Å; E425-T471 HydrophobicContact CG-CG2 3.97Å; E425-T471 PolarHBondContact OE1-OG1 3.34Å
426	T	78.3	Confident	87.1	Confident	39 Å²	39	32.9 Å²	32.9	24%	0.239	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	172.6	170.3	52.5	0	0	0	0	110.5	I424 G428 G429 V430 T432 F449	I424-T426 HydrophobicContact CG1-CG2 4.35Å; T426-G428 PolarHBondContact O-N 2.79Å; T426-G429 PolarHBondContact O-N 3.28Å; T426-G429 VanDerWaalsContact O-N 3.1Å; T426-V430 PolarHBondContact N-O 3.2Å; T426-V430 PolarHBondContact OG1-O 3.39Å; T426-T432 WeakPolarHBondContact CG2-OG1 3.3Å; T426-T432 PolarHBondContact OG1-OG1 2.98Å; T426-T432 VanDerWaalsContact OG1-OG1 3.13Å; T426-F449 HydrophobicContact CG2-CE1 4.25Å
427	V	71.8	Confident	87.1	Confident	127 Å²	127	35.9 Å²	35.9	77%	0.77	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.3	129.5	-177	179.5	0	0	0	0	110.8	A452	V427-A452 HydrophobicContact CG2-CB 4.42Å
428	G	69.9	Low	87.1	Confident	70 Å²	70	36.9 Å²	36.9	72%	0.722	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.2	7.7	-177.9	0	0	0	0	0	115.4	T426 V430	T426-G428 PolarHBondContact O-N 2.79Å; G428-V430 VanDerWaalsContact C-N 3.29Å; G428-V430 PolarHBondContact O-N 2.79Å
429	G	78.4	Confident	87.3	Confident	23 Å²	23	38.4 Å²	38.4	24%	0.237	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	26.2	178.6	0	0	0	0	0	113	T426 L470 T471	T426-G429 PolarHBondContact O-N 3.28Å; T426-G429 VanDerWaalsContact O-N 3.1Å; G429-L470 WeakPolarHBondContact O-CA 3.45Å; G429-T471 PolarHBondContact O-N 3.45Å; G429-T471 PolarHBondContact O-OG1 2.69Å; G429-T471 VanDerWaalsContact O-OG1 3.1Å
430	V	81	Confident	87.8	Confident	63 Å²	63	40.5 Å²	40.5	38%	0.382	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	138.5	-179.7	-179.3	0	0	0	0	109.3	T426 G428 L470	T426-V430 PolarHBondContact N-O 3.2Å; T426-V430 PolarHBondContact OG1-O 3.39Å; G428-V430 VanDerWaalsContact C-N 3.29Å; G428-V430 PolarHBondContact O-N 2.79Å; V430-L470 HydrophobicContact CG2-CD2 4.27Å
431	M	85.8	Confident	88.1	Confident	14 Å²	14	40.2 Å²	40.2	7%	0.069	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	116.7	175.8	-173.3	167.7	-179.2	0	0	110.3	T421 Y464 P469 T471 N474	T421-M431 HydrophobicContact CG2-CE 4.28Å; T421-M431 WeakPolarHBondContact O-CE 3.26Å; M431-Y464 WeakPolarHBondContact CE-O 3.48Å; M431-P469 PolarHBondContact N-O 3.48Å; M431-T471 HydrophobicContact CB-CG2 4.01Å; M431-N474 HydrophobicContact SD-CB 4.26Å; M431-N474 PolarHBondContact SD-ND2 3.28Å
432	T	87.8	Confident	88.2	Confident	38 Å²	38	44.6 Å²	44.6	23%	0.233	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	116.4	167	-68.2	0	0	0	0	108.6	G423 I424 T426 L434 F449	G423-T432 CarbonylContact C-O 3.5Å; G423-T432 WeakPolarHBondContact CA-O 3.47Å; I424-T432 PolarHBondContact N-O 3.48Å; I424-T432 PolarHBondContact O-N 2.91Å; T426-T432 WeakPolarHBondContact CG2-OG1 3.3Å; T426-T432 PolarHBondContact OG1-OG1 2.98Å; T426-T432 VanDerWaalsContact OG1-OG1 3.13Å; T432-L434 HydrophobicContact CG2-CD1 4.24Å; T432-L434 WeakPolarHBondContact O-CD1 3.33Å; T432-F449 HydrophobicContact CG2-CE1 4.35Å; T432-F449 HydrophobicContact CG2-CZ 4.42Å
433	K	88.1	Confident	88.4	Confident	101 Å²	101	45.9 Å²	45.9	44%	0.439	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	130.9	-178.2	-55.9	-174.6	168.8	-156.5	0	110.3	T421 E467	T421-K433 HydrophobicContact CG2-CB 3.77Å; T421-K433 HydrophobicContact CG2-CD 3.71Å; T421-K433 HydrophobicContact CG2-CG 3.59Å; K433-E467 IonicContact NZ-OE2 3.71Å
434	L	92	Very high	88.6	Confident	10 Å²	10	52.3 Å²	52.3	5%	0.052	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	-50.5	175.8	-86.1	71.9	0	0	0	111.3	L422 I424 T432 Q447 F449 F499	L422-L434 PolarHBondContact O-N 2.82Å; I424-L434 HydrophobicContact CG1-CD1 4.28Å; T432-L434 HydrophobicContact CG2-CD1 4.24Å; T432-L434 WeakPolarHBondContact O-CD1 3.33Å; L434-Q447 HydrophobicContact CD2-CB 4.39Å; L434-F449 HydrophobicContact CD1-CZ 4.1Å; L434-F449 HydrophobicContact CD2-CE2 4.49Å; L434-F499 HydrophobicContact CD2-CD2 3.36Å; L434-F499 HydrophobicContact CD2-CE2 3.46Å; L434-F499 VanDerWaalsContact CD2-CE2 3.46Å; L434-F499 HydrophobicContact CD2-CG 4.04Å; L434-F499 HydrophobicContact CD2-CZ 4.18Å
435	I	94.7	Very high	88.8	Confident	4 Å²	4	57.3 Å²	57.3	2%	0.021	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	108.6	176.3	-59.3	174.6	0	0	0	107.3	T421 L422 T439 T443 K445 F499 I501	T421-I435 CarbonylContact C-O 3.55Å; T421-I435 VanDerWaalsContact CA-O 3.31Å; T421-I435 WeakPolarHBondContact CA-O 3.34Å; L422-I435 HydrophobicContact CB-CB 4.35Å; L422-I435 PolarHBondContact N-O 2.87Å; L422-I435 PolarHBondContact O-N 3.19Å; L422-I435 VanDerWaalsContact O-N 3.14Å; I435-T439 HydrophobicContact CG2-CG2 4.04Å; I435-T443 HydrophobicContact CD1-CG2 4.12Å; I435-T443 HydrophobicContact CG2-CG2 4.18Å; I435-K445 HydrophobicContact CD1-CB 4.28Å; I435-K445 HydrophobicContact CG1-CB 3.81Å; I435-F499 HydrophobicContact CD1-CB 3.6Å; I435-F499 HydrophobicContact CG1-CB 4.29Å; I435-I501 HydrophobicContact CD1-CD1 3.85Å; I435-I501 HydrophobicContact CD1-CG1 3.91Å; I435-I501 HydrophobicContact CG2-CD1 3.94Å
436	P	94.4	Very high	89.1	Confident	70 Å²	70	56.9 Å²	56.9	46%	0.455	33%	0.331	S	S	.	.			trans	-63.2	154.2	175.5	-21.5	33.9	0	0	0	112.4	C418 T439	C418-P436 PolarHBondContact SG-O 3.48Å; P436-T439 WeakPolarHBondContact O-CB 3.31Å; P436-T439 PolarHBondContact O-N 3.44Å; P436-T439 PolarHBondContact O-OG1 3.11Å
437	R	93.1	Very high	89.6	Confident	77 Å²	77	58.4 Å²	58.4	29%	0.291	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	155.7	167.1	68.5	173.3	-171.6	-93	1.6	111.4	D346 C418 T421 T439 E467	D346-R437 IonicContact OD1-CZ 3.35Å; D346-R437 IonicContact OD1-NE 3.5Å; D346-R437 IonicContact OD1-NH2 3.62Å; D346-R437 PolarHBondContact OD1-NH2 3.45Å; D346-R437 IonicContact OD2-CZ 2.94Å; D346-R437 IonicContact OD2-NE 3.58Å; D346-R437 PolarHBondContact OD2-NE 3.33Å; D346-R437 IonicContact OD2-NH2 3.55Å; D346-R437 PolarHBondContact OD2-NH2 3.47Å; C418-R437 CarbonylContact O-C 3.55Å; T421-R437 PolarHBondContact OG1-N 3.25Å; R437-T439 PolarHBondContact O-N 2.96Å; R437-E467 IonicContact CZ-OE2 2.77Å; R437-E467 VanDerWaalsContact NH1-CD 3.28Å; R437-E467 IonicContact NH1-OE2 3.6Å; R437-E467 PolarHBondContact NH1-OE2 3.19Å
438	N	94.2	Very high	90.4	Very high	26 Å²	26	56.7 Å²	56.7	14%	0.139	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.2	17.6	-175.7	-51.3	-42.9	0	0	0	114.2	A244 T245 D346 V417 C418	A244-N438 WeakPolarHBondContact CA-OD1 3.31Å; T245-N438 PolarHBondContact N-OD1 2.99Å; D346-N438 WeakPolarHBondContact CB-ND2 3.08Å; D346-N438 PolarHBondContact OD2-ND2 3.37Å; D346-N438 VanDerWaalsContact OD2-ND2 3.1Å; V417-N438 WeakPolarHBondContact CG1-O 3.42Å; V417-N438 HydrophobicContact CG2-CB 4.44Å; C418-N438 PolarHBondContact O-N 3.22Å
439	T	96.7	Very high	91.2	Very high	38 Å²	38	55.3 Å²	55.3	23%	0.233	30%	0.295	C	S	.	.			trans	-74.4	129.8	169.2	-58.2	0	0	0	0	109.3	V417 C418 I435 P436 R437 T443	V417-T439 CarbonylContact C-O 3.58Å; V417-T439 VanDerWaalsContact CA-O 3.25Å; V417-T439 WeakPolarHBondContact CA-O 3.29Å; V417-T439 WeakPolarHBondContact CB-O 3.46Å; C418-T439 PolarHBondContact N-O 2.89Å; I435-T439 HydrophobicContact CG2-CG2 4.04Å; P436-T439 WeakPolarHBondContact O-CB 3.31Å; P436-T439 PolarHBondContact O-N 3.44Å; P436-T439 PolarHBondContact O-OG1 3.11Å; R437-T439 PolarHBondContact O-N 2.96Å; T439-T443 HydrophobicContact CG2-CG2 3.98Å
440	V	96.8	Very high	91.5	Very high	57 Å²	57	56.4 Å²	56.4	35%	0.345	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	137.4	176.6	179	0	0	0	0	111.2	L415 D416 V417 T443	L415-V440 HydrophobicContact CB-CG1 4.3Å; L415-V440 HydrophobicContact CD2-CG1 4.33Å; D416-V440 CarbonylContact O-C 3.57Å; D416-V440 VanDerWaalsContact O-CA 3.29Å; D416-V440 WeakPolarHBondContact O-CA 3.46Å; V417-V440 HydrophobicContact CG1-CG2 4.2Å; V440-T443 VanDerWaalsContact O-CB 3.28Å; V440-T443 WeakPolarHBondContact O-CB 3.42Å
441	V	93.8	Very high	91.7	Very high	13 Å²	13	53.8 Å²	53.8	8%	0.079	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	147.4	177.8	-62	0	0	0	0	111.3	D416 C418 T443 I501	D416-V441 HydrophobicContact CB-CG2 4.25Å; D416-V441 WeakPolarHBondContact O-CG2 3.44Å; D416-V441 PolarHBondContact O-N 2.82Å; C418-V441 HydrophobicContact CB-CG1 4.05Å; V441-T443 HydrophobicContact CG1-CG2 4.41Å; V441-I501 HydrophobicContact CB-CG2 4.32Å; V441-I501 HydrophobicContact CG1-CB 4.07Å; V441-I501 HydrophobicContact CG1-CD1 4.33Å; V441-I501 HydrophobicContact CG1-CG2 3.63Å
442	P	95.5	Very high	91.5	Very high	92 Å²	92	56 Å²	56	60%	0.597	30%	0.304	S	S	*	.	S	Bend	cis	-71.5	148.7	0.8	30.7	-35.6	0	0	0	112.9	I501	P442-I501 CarbonylContact C-O 3.54Å; P442-I501 WeakPolarHBondContact CA-O 3.42Å; P442-I501 WeakPolarHBondContact CB-O 3.46Å
443	T	96	Very high	91.3	Very high	38 Å²	38	57.6 Å²	57.6	23%	0.233	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	157.1	-179.9	-170.7	0	0	0	0	112.3	I435 T439 V440 V441 E500 I501	I435-T443 HydrophobicContact CD1-CG2 4.12Å; I435-T443 HydrophobicContact CG2-CG2 4.18Å; T439-T443 HydrophobicContact CG2-CG2 3.98Å; V440-T443 VanDerWaalsContact O-CB 3.28Å; V440-T443 WeakPolarHBondContact O-CB 3.42Å; V441-T443 HydrophobicContact CG1-CG2 4.41Å; T443-E500 WeakPolarHBondContact O-CA 3.34Å; T443-I501 HydrophobicContact CG2-CB 4.18Å; T443-I501 HydrophobicContact CG2-CD1 3.99Å; T443-I501 HydrophobicContact CG2-CG1 4.21Å; T443-I501 PolarHBondContact N-O 2.8Å; T443-I501 PolarHBondContact O-N 3.27Å
444	K	95.6	Very high	91.3	Very high	136 Å²	136	57.5 Å²	57.5	59%	0.591	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.2	130.5	179.7	-175.7	-178	-180	-178.9	0	110.8	T498 F499	K444-T498 HydrophobicContact CD-CG2 4.24Å; K444-T498 HydrophobicContact CG-CG2 3.89Å; K444-F499 CarbonylContact C-O 3.25Å; K444-F499 VanDerWaalsContact CA-O 3.28Å; K444-F499 WeakPolarHBondContact CA-O 3.47Å
445	K	94.5	Very high	91.1	Very high	112 Å²	112	61.7 Å²	61.7	49%	0.487	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	131.9	174	-166.1	73.5	177.1	-173.6	0	111	I435 T498 F499	I435-K445 HydrophobicContact CD1-CB 4.28Å; I435-K445 HydrophobicContact CG1-CB 3.81Å; K445-T498 CarbonylContact O-C 3.57Å; K445-T498 WeakPolarHBondContact O-CA 3.4Å; K445-F499 PolarHBondContact N-O 3.23Å; K445-F499 PolarHBondContact O-N 3.48Å
446	S	92.4	Very high	90.7	Very high	47 Å²	47	63.6 Å²	63.6	33%	0.329	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	141	174.2	-56	0	0	0	0	110.2	V497 T498	S446-V497 CarbonylContact C-O 3.56Å; S446-V497 WeakPolarHBondContact CA-O 3.31Å; S446-T498 WeakPolarHBondContact CB-OG1 3.37Å; S446-T498 WeakPolarHBondContact OG-CB 3.32Å; S446-T498 WeakPolarHBondContact OG-CG2 3.42Å; S446-T498 PolarHBondContact OG-OG1 3.04Å
447	Q	88.8	Confident	90.2	Very high	71 Å²	71	64.1 Å²	64.1	33%	0.332	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	138.9	175.2	-177	167.1	-21.2	0	0	110.5	L434 F449 V497	L434-Q447 HydrophobicContact CD2-CB 4.39Å; Q447-F449 HydrophobicContact CB-CE2 3.8Å; Q447-F449 HydrophobicContact CB-CZ 4.14Å; Q447-F449 HydrophobicContact CG-CE1 4.47Å; Q447-F449 HydrophobicContact CG-CE2 3.8Å; Q447-F449 HydrophobicContact CG-CZ 3.76Å; Q447-F449 WeakPolarHBondContact O-CD2 3.48Å; Q447-V497 PolarHBondContact N-O 2.79Å; Q447-V497 PolarHBondContact O-N 3.27Å
448	I	89.8	Confident	89.9	Confident	91 Å²	91	62.6 Å²	62.6	47%	0.467	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	127.3	178.7	-59.9	175.7	0	0	0	109.5	Q494 I495 E496	I448-Q494 HydrophobicContact CG2-CB 4.06Å; I448-Q494 HydrophobicContact CG2-CG 4.32Å; I448-I495 WeakPolarHBondContact CA-O 3.48Å; I448-E496 HydrophobicContact CG1-CB 4.37Å
449	F	85.4	Confident	89.4	Confident	40 Å²	40	62.1 Å²	62.1	18%	0.175	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	173.9	170.6	-62.7	-84.1	0	0	0	109.8	I424 T426 T432 L434 Q447 I495 V497	I424-F449 HydrophobicContact CD1-CD1 3.87Å; I424-F449 HydrophobicContact CD1-CD2 3.88Å; I424-F449 HydrophobicContact CD1-CE1 3.51Å; I424-F449 HydrophobicContact CD1-CE2 3.49Å; I424-F449 VanDerWaalsContact CD1-CE2 3.49Å; I424-F449 HydrophobicContact CD1-CG 4.05Å; I424-F449 HydrophobicContact CD1-CZ 3.31Å; I424-F449 HydrophobicContact CG1-CE1 4.16Å; I424-F449 HydrophobicContact CG1-CE2 4.43Å; I424-F449 HydrophobicContact CG1-CZ 3.9Å; T426-F449 HydrophobicContact CG2-CE1 4.25Å; T432-F449 HydrophobicContact CG2-CE1 4.35Å; T432-F449 HydrophobicContact CG2-CZ 4.42Å; L434-F449 HydrophobicContact CD1-CZ 4.1Å; L434-F449 HydrophobicContact CD2-CE2 4.49Å; Q447-F449 HydrophobicContact CB-CE2 3.8Å; Q447-F449 HydrophobicContact CB-CZ 4.14Å; Q447-F449 HydrophobicContact CG-CE1 4.47Å; Q447-F449 HydrophobicContact CG-CE2 3.8Å; Q447-F449 HydrophobicContact CG-CZ 3.76Å; Q447-F449 WeakPolarHBondContact O-CD2 3.48Å; F449-I495 PolarHBondContact N-O 2.87Å; F449-I495 PolarHBondContact O-N 2.87Å; F449-V497 HydrophobicContact CD2-CB 4.03Å; F449-V497 HydrophobicContact CD2-CG2 3.73Å; F449-V497 HydrophobicContact CE2-CB 4.09Å; F449-V497 HydrophobicContact CE2-CG2 4.25Å
450	S	85.7	Confident	88.8	Confident	46 Å²	46	63.9 Å²	63.9	32%	0.322	36%	0.363	S	S	.	.			trans	-144.4	173.8	177.8	-162.5	0	0	0	0	111.8	G491 V492 P493	S450-G491 WeakPolarHBondContact OG-CA 3.29Å; S450-G491 PolarHBondContact OG-O 3.34Å; S450-V492 PolarHBondContact OG-N 3.48Å; S450-P493 WeakPolarHBondContact CA-O 3.25Å; S450-P493 WeakPolarHBondContact CB-O 3.37Å; S450-P493 PolarHBondContact OG-O 2.85Å
451	T	85.4	Confident	88.3	Confident	9 Å²	9	61.5 Å²	61.5	6%	0.055	35%	0.348	C	S	.	.			trans	-69.4	145.5	178.4	52.8	0	0	0	0	111.9	Q456 V459 I485 G491 P493	T451-Q456 VanDerWaalsContact CB-OE1 3.32Å; T451-Q456 HydrophobicContact CG2-CB 3.83Å; T451-Q456 HydrophobicContact CG2-CG 4.13Å; T451-V459 HydrophobicContact CG2-CG2 3.8Å; T451-I485 HydrophobicContact CG2-CD1 4.43Å; T451-I485 HydrophobicContact CG2-CG2 4.25Å; T451-G491 PolarHBondContact O-N 3.03Å; T451-P493 HydrophobicContact CG2-CB 4.03Å; T451-P493 HydrophobicContact CG2-CG 3.72Å; T451-P493 WeakPolarHBondContact OG1-CD 3.39Å
452	A	81.5	Confident	88	Confident	61 Å²	61	64 Å²	64	50%	0.504	36%	0.359	S	S	.	.	S	Bend	trans	-88.2	-17.2	178.3	0	0	0	0	0	112.9	V427	V427-A452 HydrophobicContact CG2-CB 4.42Å
453	S	83.5	Confident	87.7	Confident	71 Å²	71	59.7 Å²	59.7	50%	0.497	33%	0.33	S	S	.	.	S	Bend	trans	-135.4	153.3	-176.5	-62.2	0	0	0	0	112	Q456	S453-Q456 WeakPolarHBondContact O-CB 3.45Å; S453-Q456 PolarHBondContact O-N 3.28Å
454	D	87.4	Confident	87.3	Confident	99 Å²	99	58.7 Å²	58.7	53%	0.529	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	137.7	175.6	-64.9	-20.5	0	0	0	110.5	Q456 R490	D454-Q456 PolarHBondContact O-N 3.44Å; D454-Q456 VanDerWaalsContact O-N 3.17Å; D454-R490 WeakPolarHBondContact OD1-CB 3.12Å; D454-R490 WeakPolarHBondContact OD1-CG 3.45Å; D454-R490 PolarHBondContact OD1-N 3.49Å
455	N	88.7	Confident	87	Confident	98 Å²	98	52.6 Å²	52.6	52%	0.524	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	29.4	179.6	-53	-50	0	0	0	114.3	P457 P487 A488	N455-P457 VanDerWaalsContact O-CD 3.25Å; N455-P457 WeakPolarHBondContact O-CD 3.46Å; N455-P487 HydrophobicContact CB-CB 4.2Å; N455-P487 WeakPolarHBondContact OD1-CB 3.34Å; N455-A488 PolarHBondContact N-O 2.65Å; N455-A488 PolarHBondContact OD1-N 3.32Å
456	Q	84.9	Confident	86.6	Confident	43 Å²	43	47.7 Å²	47.7	20%	0.201	28%	0.277	C	S	.	.			trans	-64.6	113.9	177.9	176.7	175	-2.3	0	0	110.6	T451 S453 D454 T458	T451-Q456 VanDerWaalsContact CB-OE1 3.32Å; T451-Q456 HydrophobicContact CG2-CB 3.83Å; T451-Q456 HydrophobicContact CG2-CG 4.13Å; S453-Q456 WeakPolarHBondContact O-CB 3.45Å; S453-Q456 PolarHBondContact O-N 3.28Å; D454-Q456 PolarHBondContact O-N 3.44Å; D454-Q456 VanDerWaalsContact O-N 3.17Å; Q456-T458 WeakPolarHBondContact CG-O 3.46Å; Q456-T458 PolarHBondContact NE2-O 2.96Å
457	P	85	Confident	86.3	Confident	82 Å²	82	47.9 Å²	47.9	53%	0.532	27%	0.273	S	S	.	.			trans	-82.2	-16.6	-174.1	33.1	-35.8	0	0	0	113.6	N455 G484 I485	N455-P457 VanDerWaalsContact O-CD 3.25Å; N455-P457 WeakPolarHBondContact O-CD 3.46Å; P457-G484 PolarHBondContact O-N 3.43Å; P457-G484 VanDerWaalsContact O-N 3.13Å; P457-I485 PolarHBondContact O-N 2.88Å; P457-I485 VanDerWaalsContact O-N 3.1Å
458	T	85.9	Confident	85.9	Confident	45 Å²	45	50.5 Å²	50.5	28%	0.276	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	131.9	-174.7	-56.8	0	0	0	0	110.7	Q456 D481 L482 T483	Q456-T458 WeakPolarHBondContact CG-O 3.46Å; Q456-T458 PolarHBondContact NE2-O 2.96Å; T458-D481 HydrophobicContact CG2-CB 3.63Å; T458-L482 CarbonylContact C-O 3.51Å; T458-L482 VanDerWaalsContact CA-O 3.29Å; T458-L482 WeakPolarHBondContact CA-O 3.3Å; T458-T483 HydrophobicContact CG2-CG2 3.85Å
459	V	83.8	Confident	85.3	Confident	16 Å²	16	50.8 Å²	50.8	10%	0.097	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	116.9	170.9	168.3	0	0	0	0	109.4	T451 I461 L482 I485 I495	T451-V459 HydrophobicContact CG2-CG2 3.8Å; V459-I461 HydrophobicContact CG1-CG1 4.11Å; V459-L482 PolarHBondContact N-O 3.1Å; V459-L482 PolarHBondContact O-N 3.03Å; V459-I485 HydrophobicContact CB-CD1 3.72Å; V459-I485 HydrophobicContact CG2-CD1 3.29Å; V459-I495 HydrophobicContact CG2-CG1 4.42Å
460	T	84.8	Confident	84.9	Confident	74 Å²	74	51.9 Å²	51.9	45%	0.454	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	121.9	174.4	-54.6	0	0	0	0	110	K462 T479 F480 D481	T460-K462 HydrophobicContact CG2-CG 4.41Å; T460-T479 HydrophobicContact CG2-CG2 3.5Å; T460-F480 CarbonylContact C-O 3.56Å; T460-F480 WeakPolarHBondContact CA-O 3.34Å; T460-D481 WeakPolarHBondContact CA-OD1 3.39Å; T460-D481 VanDerWaalsContact CB-OD1 3.25Å; T460-D481 WeakPolarHBondContact CB-OD1 3.42Å; T460-D481 WeakPolarHBondContact CG2-OD1 3.32Å; T460-D481 PolarHBondContact OG1-OD1 3.42Å
461	I	85.6	Confident	84.9	Confident	7 Å²	7	49.9 Å²	49.9	4%	0.036	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	120.5	177.5	-62.7	160	0	0	0	107.8	I424 V459 V463 T479 F480 V497 A511	I424-I461 HydrophobicContact CG2-CG2 3.91Å; V459-I461 HydrophobicContact CG1-CG1 4.11Å; I461-V463 HydrophobicContact CG2-CG2 4.2Å; I461-T479 CarbonylContact O-C 3.6Å; I461-T479 WeakPolarHBondContact O-CA 3.45Å; I461-F480 HydrophobicContact CB-CD1 4.27Å; I461-F480 HydrophobicContact CB-CD2 4.22Å; I461-F480 HydrophobicContact CB-CE1 3.88Å; I461-F480 HydrophobicContact CB-CE2 3.83Å; I461-F480 HydrophobicContact CB-CG 4.43Å; I461-F480 HydrophobicContact CB-CZ 3.64Å; I461-F480 HydrophobicContact CD1-CD2 4.25Å; I461-F480 HydrophobicContact CD1-CE2 3.41Å; I461-F480 VanDerWaalsContact CD1-CE2 3.41Å; I461-F480 HydrophobicContact CD1-CZ 3.71Å; I461-F480 HydrophobicContact CG1-CE2 4.17Å; I461-F480 HydrophobicContact CG1-CZ 4.28Å; I461-F480 HydrophobicContact CG2-CD1 4.45Å; I461-F480 HydrophobicContact CG2-CE1 3.68Å; I461-F480 HydrophobicContact CG2-CE2 4.27Å; I461-F480 HydrophobicContact CG2-CZ 3.57Å; I461-F480 PolarHBondContact N-O 2.99Å; I461-F480 PolarHBondContact O-N 3.27Å; I461-V497 HydrophobicContact CD1-CG2 3.64Å; I461-V497 HydrophobicContact CG1-CG2 4.4Å; I461-A511 HydrophobicContact CD1-CB 3.65Å
462	K	88	Confident	84.9	Confident	67 Å²	67	57.2 Å²	57.2	29%	0.291	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	124.9	172.9	-58.4	-169.4	-165.1	151.7	0	109.4	I424 E425 T460 Y464 L476 G478 T479	I424-K462 CarbonylContact C-O 3.25Å; I424-K462 WeakPolarHBondContact CA-O 3.48Å; I424-K462 WeakPolarHBondContact CB-O 3.33Å; E425-K462 HydrophobicContact CB-CB 4.06Å; E425-K462 PolarHBondContact N-O 3.01Å; E425-K462 VanDerWaalsContact OE2-CD 3.31Å; E425-K462 WeakPolarHBondContact OE2-CD 3.47Å; E425-K462 WeakPolarHBondContact OE2-CE 3.32Å; E425-K462 IonicContact OE2-NZ 3.92Å; E425-K462 PolarHBondContact OE2-NZ 2.84Å; T460-K462 HydrophobicContact CG2-CG 4.41Å; K462-Y464 HydrophobicContact CB-CD2 4.36Å; K462-Y464 HydrophobicContact CB-CE2 3.48Å; K462-Y464 VanDerWaalsContact CB-CE2 3.48Å; K462-Y464 HydrophobicContact CD-CE2 4.45Å; K462-L476 HydrophobicContact CB-CD1 4.17Å; K462-G478 WeakPolarHBondContact CA-O 3.38Å; K462-T479 HydrophobicContact CG-CG2 3.81Å
463	V	89.3	Confident	84.8	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	132.3	-175.2	-176.5	0	0	0	0	109.5	G423 I424 I461 L477 G478 F480 F499 L507 V509 I524	G423-V463 WeakPolarHBondContact O-CA 3.49Å; I424-V463 HydrophobicContact CG2-CG2 4.41Å; I461-V463 HydrophobicContact CG2-CG2 4.2Å; V463-L477 HydrophobicContact CB-CB 4.4Å; V463-L477 HydrophobicContact CG1-CB 4.24Å; V463-L477 HydrophobicContact CG1-CD1 4.1Å; V463-L477 PolarHBondContact O-N 2.96Å; V463-G478 PolarHBondContact N-O 3.44Å; V463-G478 PolarHBondContact O-N 3.24Å; V463-F480 HydrophobicContact CG2-CE1 3.85Å; V463-F499 HydrophobicContact CB-CZ 4.47Å; V463-F499 HydrophobicContact CG1-CE1 3.64Å; V463-F499 HydrophobicContact CG1-CZ 3.7Å; V463-F499 HydrophobicContact CG2-CZ 4.09Å; V463-L507 HydrophobicContact CG1-CD2 3.88Å; V463-V509 HydrophobicContact CG1-CG2 4.36Å; V463-V509 HydrophobicContact CG2-CG1 4.31Å; V463-V509 HydrophobicContact CG2-CG2 4.22Å; V463-I524 HydrophobicContact CB-CD1 4.13Å; V463-I524 HydrophobicContact CG1-CD1 3.94Å; V463-I524 HydrophobicContact CG2-CD1 4.35Å
464	Y	88.1	Confident	84.8	Confident	17 Å²	17	54.3 Å²	54.3	7%	0.067	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	155.4	-177.4	-66	-97.9	0	0	0	111.5	L422 G423 E425 M431 K462 T471 N474 H475 L476	L422-Y464 WeakPolarHBondContact CA-O 3.25Å; G423-Y464 PolarHBondContact N-O 2.86Å; G423-Y464 PolarHBondContact O-N 2.95Å; E425-Y464 HydrophobicContact CB-CD2 4.43Å; E425-Y464 HydrophobicContact CB-CE2 3.77Å; M431-Y464 WeakPolarHBondContact CE-O 3.48Å; K462-Y464 HydrophobicContact CB-CD2 4.36Å; K462-Y464 HydrophobicContact CB-CE2 3.48Å; K462-Y464 VanDerWaalsContact CB-CE2 3.48Å; K462-Y464 HydrophobicContact CD-CE2 4.45Å; Y464-T471 WeakPolarHBondContact CD1-O 3.48Å; Y464-T471 HydrophobicContact CD2-CG2 3.91Å; Y464-T471 WeakPolarHBondContact CE1-O 3.29Å; Y464-T471 HydrophobicContact CE2-CG2 3.87Å; Y464-T471 HydrophobicContact CG-CG2 4.32Å; Y464-N474 HydrophobicContact CD1-CB 4.24Å; Y464-H475 CarbonylContact C-O 3.43Å; Y464-H475 WeakPolarHBondContact CA-O 3.26Å; Y464-L476 HydrophobicContact CD1-CB 4.15Å; Y464-L476 HydrophobicContact CD1-CD1 4.3Å; Y464-L476 HydrophobicContact CD2-CD1 4.43Å; Y464-L476 HydrophobicContact CE1-CB 3.82Å; Y464-L476 HydrophobicContact CE1-CD1 3.78Å; Y464-L476 HydrophobicContact CE1-CG 4.39Å; Y464-L476 HydrophobicContact CE2-CD1 3.9Å
465	E	87.8	Confident	84.6	Confident	8 Å²	8	53.2 Å²	53.2	4%	0.037	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	136.6	165.8	66.2	-172.7	164.6	0	0	110.6	N175 L420 T421 L422 N474 H475 L477	N175-E465 WeakPolarHBondContact CB-OE1 3.3Å; N175-E465 WeakPolarHBondContact CB-OE2 3.4Å; N175-E465 VanDerWaalsContact CG-OE1 3.27Å; N175-E465 PolarHBondContact ND2-OE1 3.24Å; L420-E465 HydrophobicContact CB-CB 4.2Å; L420-E465 HydrophobicContact CD1-CB 4.27Å; L420-E465 HydrophobicContact CD1-CG 4.04Å; T421-E465 CarbonylContact O-C 3.47Å; T421-E465 VanDerWaalsContact O-CA 3.26Å; T421-E465 WeakPolarHBondContact O-CA 3.1Å; L422-E465 HydrophobicContact CD2-CB 3.69Å; E465-N474 WeakPolarHBondContact O-CB 3.48Å; E465-H475 HydrophobicContact CG-CB 3.76Å; E465-H475 PolarHBondContact N-O 2.83Å; E465-H475 PolarHBondContact O-N 2.81Å; E465-H475 IonicContact OE1-CD2 3.71Å; E465-H475 PolarHBondContact OE1-CD2 3.01Å; E465-H475 IonicContact OE1-CG 2.75Å; E465-H475 IonicContact OE1-NE2 3.69Å; E465-L477 HydrophobicContact CB-CD1 3.99Å; E465-L477 HydrophobicContact CB-CG 4.26Å; E465-L477 VanDerWaalsContact CD-CD2 3.46Å; E465-L477 HydrophobicContact CG-CD1 4.27Å; E465-L477 HydrophobicContact CG-CD2 4.08Å; E465-L477 HydrophobicContact CG-CG 4.04Å; E465-L477 VanDerWaalsContact OE1-CD2 3.28Å; E465-L477 WeakPolarHBondContact OE1-CD2 3.44Å
466	G	85.9	Confident	84.4	Confident	9 Å²	9	52.1 Å²	52.1	9%	0.093	27%	0.268	C	S	.	.	S	Bend	trans	141.8	170.9	177	0	0	0	0	0	114.5	T421 N474	T421-G466 PolarHBondContact O-N 2.97Å; G466-N474 WeakPolarHBondContact CA-OD1 3.43Å
467	E	86.3	Confident	84.4	Confident	52 Å²	52	50.5 Å²	50.5	24%	0.243	26%	0.26	C	S	.	.	S	Bend	trans	-101.5	-5.2	-169.7	-58.2	-52.3	133.9	0	0	114.2	T421 K433 R437 N474	T421-E467 WeakPolarHBondContact CB-OE1 3.37Å; T421-E467 PolarHBondContact N-OE1 2.87Å; T421-E467 PolarHBondContact OG1-OE1 2.84Å; T421-E467 PolarHBondContact OG1-OE2 2.93Å; K433-E467 IonicContact NZ-OE2 3.71Å; R437-E467 IonicContact CZ-OE2 2.77Å; R437-E467 VanDerWaalsContact NH1-CD 3.28Å; R437-E467 IonicContact NH1-OE2 3.6Å; R437-E467 PolarHBondContact NH1-OE2 3.19Å; E467-N474 PolarHBondContact N-OD1 2.94Å
468	R	81.8	Confident	84.2	Confident	126 Å²	126	46.9 Å²	46.9	48%	0.475	24%	0.238	S	C	.	.			trans	-79.6	147.6	-175.7	-62.4	-176	67	-153.5	-4.4	110.2	L470 D473 N474	R468-L470 VanDerWaalsContact C-N 3.32Å; R468-L470 PolarHBondContact O-N 2.96Å; R468-D473 HydrophobicContact CB-CB 3.91Å; R468-D473 WeakPolarHBondContact CD-O 3.33Å; R468-D473 HydrophobicContact CG-CB 4.47Å; R468-D473 IonicContact CZ-OD1 2.75Å; R468-D473 IonicContact CZ-OD2 3.18Å; R468-D473 PolarHBondContact NH1-O 3.24Å; R468-D473 IonicContact NH1-OD1 2.73Å; R468-D473 PolarHBondContact NH1-OD1 2.86Å; R468-D473 IonicContact NH1-OD2 2.74Å; R468-D473 IonicContact NH2-OD1 2.9Å; R468-D473 PolarHBondContact NH2-OD1 3.41Å; R468-D473 IonicContact NH2-OD2 3.82Å; R468-D473 PolarHBondContact NH2-OD2 2.66Å; R468-N474 WeakPolarHBondContact CB-OD1 3.33Å; R468-N474 PolarHBondContact N-OD1 3.19Å; R468-N474 PolarHBondContact O-ND2 3.46Å
469	P	76.8	Confident	84.1	Confident	96 Å²	96	48.2 Å²	48.2	62%	0.623	25%	0.246	S	C	*	.	S	Bend	trans	-71.1	-24.1	-175.6	25.7	-34.4	0	0	0	114.2	M431	M431-P469 PolarHBondContact N-O 3.48Å
470	L	77.6	Confident	83.9	Confident	64 Å²	64	48 Å²	48	34%	0.335	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-104.7	141.5	-179.5	-60.4	178.5	0	0	0	110.7	G429 V430 R468 K472 D473 N474	G429-L470 WeakPolarHBondContact O-CA 3.45Å; V430-L470 HydrophobicContact CG2-CD2 4.27Å; R468-L470 VanDerWaalsContact C-N 3.32Å; R468-L470 PolarHBondContact O-N 2.96Å; L470-K472 HydrophobicContact CB-CG 4.3Å; L470-K472 PolarHBondContact O-N 3.28Å; L470-D473 WeakPolarHBondContact O-CB 3.37Å; L470-D473 PolarHBondContact O-N 2.87Å; L470-N474 PolarHBondContact O-ND2 3.01Å
471	T	85.9	Confident	83.8	Confident	4 Å²	4	48 Å²	48	3%	0.025	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-68	-36.3	-175.2	51.6	0	0	0	0	113.9	E425 G429 M431 Y464 D473 N474	E425-T471 HydrophobicContact CB-CG2 3.8Å; E425-T471 HydrophobicContact CG-CG2 3.97Å; E425-T471 PolarHBondContact OE1-OG1 3.34Å; G429-T471 PolarHBondContact O-N 3.45Å; G429-T471 PolarHBondContact O-OG1 2.69Å; G429-T471 VanDerWaalsContact O-OG1 3.1Å; M431-T471 HydrophobicContact CB-CG2 4.01Å; Y464-T471 WeakPolarHBondContact CD1-O 3.48Å; Y464-T471 HydrophobicContact CD2-CG2 3.91Å; Y464-T471 WeakPolarHBondContact CE1-O 3.29Å; Y464-T471 HydrophobicContact CE2-CG2 3.87Å; Y464-T471 HydrophobicContact CG-CG2 4.32Å; T471-D473 PolarHBondContact O-N 2.92Å; T471-N474 PolarHBondContact O-N 3.21Å
472	K	83.5	Confident	83.7	Confident	163 Å²	163	47.8 Å²	47.8	71%	0.709	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-56.1	-17.8	176.9	71.2	178.7	-175.3	177.2	0	114.6	L470	L470-K472 HydrophobicContact CB-CG 4.3Å; L470-K472 PolarHBondContact O-N 3.28Å
473	D	79.7	Confident	83.5	Confident	50 Å²	50	48.1 Å²	48.1	27%	0.267	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-105.8	-5.6	-171.2	-80.9	-38.8	0	0	0	111.8	R468 L470 T471	R468-D473 HydrophobicContact CB-CB 3.91Å; R468-D473 WeakPolarHBondContact CD-O 3.33Å; R468-D473 HydrophobicContact CG-CB 4.47Å; R468-D473 IonicContact CZ-OD1 2.75Å; R468-D473 IonicContact CZ-OD2 3.18Å; R468-D473 PolarHBondContact NH1-O 3.24Å; R468-D473 IonicContact NH1-OD1 2.73Å; R468-D473 PolarHBondContact NH1-OD1 2.86Å; R468-D473 IonicContact NH1-OD2 2.74Å; R468-D473 IonicContact NH2-OD1 2.9Å; R468-D473 PolarHBondContact NH2-OD1 3.41Å; R468-D473 IonicContact NH2-OD2 3.82Å; R468-D473 PolarHBondContact NH2-OD2 2.66Å; L470-D473 WeakPolarHBondContact O-CB 3.37Å; L470-D473 PolarHBondContact O-N 2.87Å; T471-D473 PolarHBondContact O-N 2.92Å
474	N	83.7	Confident	83.2	Confident	21 Å²	21	50.7 Å²	50.7	11%	0.112	27%	0.274	C	S	.	.	S	Bend	trans	-110.1	169.6	176.9	-67.3	-54.7	0	0	0	110.3	M431 Y464 E465 G466 E467 R468 L470 T471	M431-N474 HydrophobicContact SD-CB 4.26Å; M431-N474 PolarHBondContact SD-ND2 3.28Å; Y464-N474 HydrophobicContact CD1-CB 4.24Å; E465-N474 WeakPolarHBondContact O-CB 3.48Å; G466-N474 WeakPolarHBondContact CA-OD1 3.43Å; E467-N474 PolarHBondContact N-OD1 2.94Å; R468-N474 WeakPolarHBondContact CB-OD1 3.33Å; R468-N474 PolarHBondContact N-OD1 3.19Å; R468-N474 PolarHBondContact O-ND2 3.46Å; L470-N474 PolarHBondContact O-ND2 3.01Å; T471-N474 PolarHBondContact O-N 3.21Å
475	H	82.9	Confident	83.1	Confident	76 Å²	76	50.2 Å²	50.2	35%	0.352	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	128.1	179.5	-174.6	84.7	0	0	0	110.4	N175 Y464 E465	N175-H475 PolarHBondContact ND2-NE2 3.23Å; Y464-H475 CarbonylContact C-O 3.43Å; Y464-H475 WeakPolarHBondContact CA-O 3.26Å; E465-H475 HydrophobicContact CG-CB 3.76Å; E465-H475 PolarHBondContact N-O 2.83Å; E465-H475 PolarHBondContact O-N 2.81Å; E465-H475 IonicContact OE1-CD2 3.71Å; E465-H475 PolarHBondContact OE1-CD2 3.01Å; E465-H475 IonicContact OE1-CG 2.75Å; E465-H475 IonicContact OE1-NE2 3.69Å
476	L	85.9	Confident	83	Confident	75 Å²	75	52.7 Å²	52.7	39%	0.393	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	116.7	176.4	175.3	70.6	0	0	0	109.3	K462 Y464	K462-L476 HydrophobicContact CB-CD1 4.17Å; Y464-L476 HydrophobicContact CD1-CB 4.15Å; Y464-L476 HydrophobicContact CD1-CD1 4.3Å; Y464-L476 HydrophobicContact CD2-CD1 4.43Å; Y464-L476 HydrophobicContact CE1-CB 3.82Å; Y464-L476 HydrophobicContact CE1-CD1 3.78Å; Y464-L476 HydrophobicContact CE1-CG 4.39Å; Y464-L476 HydrophobicContact CE2-CD1 3.9Å
477	L	83.3	Confident	83.2	Confident	8 Å²	8	57.5 Å²	57.5	4%	0.042	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-41.3	176.4	-71.6	177.9	0	0	0	112.1	D176 L422 V463 E465 L507 I524 N526	D176-L477 HydrophobicContact CB-CD1 4.49Å; D176-L477 HydrophobicContact CB-CD2 3.77Å; L422-L477 HydrophobicContact CD2-CD1 3.94Å; V463-L477 HydrophobicContact CB-CB 4.4Å; V463-L477 HydrophobicContact CG1-CB 4.24Å; V463-L477 HydrophobicContact CG1-CD1 4.1Å; V463-L477 PolarHBondContact O-N 2.96Å; E465-L477 HydrophobicContact CB-CD1 3.99Å; E465-L477 HydrophobicContact CB-CG 4.26Å; E465-L477 VanDerWaalsContact CD-CD2 3.46Å; E465-L477 HydrophobicContact CG-CD1 4.27Å; E465-L477 HydrophobicContact CG-CD2 4.08Å; E465-L477 HydrophobicContact CG-CG 4.04Å; E465-L477 VanDerWaalsContact OE1-CD2 3.28Å; E465-L477 WeakPolarHBondContact OE1-CD2 3.44Å; L477-L507 HydrophobicContact CD1-CD2 3.77Å; L477-I524 HydrophobicContact CB-CD1 4.11Å; L477-N526 PolarHBondContact O-ND2 2.78Å; L477-N526 VanDerWaalsContact O-ND2 3.08Å
478	G	81.6	Confident	83.3	Confident	7 Å²	7	55.9 Å²	55.9	7%	0.072	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.6	165.6	-177.6	0	0	0	0	0	113.5	K462 V463	K462-G478 WeakPolarHBondContact CA-O 3.38Å; V463-G478 PolarHBondContact N-O 3.44Å; V463-G478 PolarHBondContact O-N 3.24Å
479	T	83.9	Confident	83.7	Confident	72 Å²	72	53.8 Å²	53.8	44%	0.442	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	140.3	175.8	-60.5	0	0	0	0	109.2	T460 I461 K462	T460-T479 HydrophobicContact CG2-CG2 3.5Å; I461-T479 CarbonylContact O-C 3.6Å; I461-T479 WeakPolarHBondContact O-CA 3.45Å; K462-T479 HydrophobicContact CG-CG2 3.81Å
480	F	79.1	Confident	84.2	Confident	13 Å²	13	57.5 Å²	57.5	6%	0.057	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	157.6	175.5	62.8	-90.3	0	0	0	114.4	T460 I461 V463 V509 A511 I522	T460-F480 CarbonylContact C-O 3.56Å; T460-F480 WeakPolarHBondContact CA-O 3.34Å; I461-F480 HydrophobicContact CB-CD1 4.27Å; I461-F480 HydrophobicContact CB-CD2 4.22Å; I461-F480 HydrophobicContact CB-CE1 3.88Å; I461-F480 HydrophobicContact CB-CE2 3.83Å; I461-F480 HydrophobicContact CB-CG 4.43Å; I461-F480 HydrophobicContact CB-CZ 3.64Å; I461-F480 HydrophobicContact CD1-CD2 4.25Å; I461-F480 HydrophobicContact CD1-CE2 3.41Å; I461-F480 VanDerWaalsContact CD1-CE2 3.41Å; I461-F480 HydrophobicContact CD1-CZ 3.71Å; I461-F480 HydrophobicContact CG1-CE2 4.17Å; I461-F480 HydrophobicContact CG1-CZ 4.28Å; I461-F480 HydrophobicContact CG2-CD1 4.45Å; I461-F480 HydrophobicContact CG2-CE1 3.68Å; I461-F480 HydrophobicContact CG2-CE2 4.27Å; I461-F480 HydrophobicContact CG2-CZ 3.57Å; I461-F480 PolarHBondContact N-O 2.99Å; I461-F480 PolarHBondContact O-N 3.27Å; V463-F480 HydrophobicContact CG2-CE1 3.85Å; F480-V509 HydrophobicContact CE1-CB 4.37Å; F480-V509 HydrophobicContact CE1-CG1 3.89Å; F480-V509 HydrophobicContact CZ-CG1 3.72Å; F480-A511 HydrophobicContact CE2-CB 3.76Å; F480-A511 HydrophobicContact CZ-CB 4.35Å; F480-I522 HydrophobicContact CB-CD1 3.07Å; F480-I522 HydrophobicContact CB-CG1 4.38Å; F480-I522 HydrophobicContact CD1-CD1 3.8Å; F480-I522 HydrophobicContact CD1-CG2 4.47Å; F480-I522 HydrophobicContact CD2-CD1 3.92Å; F480-I522 HydrophobicContact CG-CD1 3.37Å; F480-I522 HydrophobicContact CG-CG1 4.32Å
481	D	83.3	Confident	84.5	Confident	74 Å²	74	57 Å²	57	40%	0.396	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	123.2	-176.3	-70.9	-23.9	0	0	0	111	T458 T460 T483 N520	T458-D481 HydrophobicContact CG2-CB 3.63Å; T460-D481 WeakPolarHBondContact CA-OD1 3.39Å; T460-D481 VanDerWaalsContact CB-OD1 3.25Å; T460-D481 WeakPolarHBondContact CB-OD1 3.42Å; T460-D481 WeakPolarHBondContact CG2-OD1 3.32Å; T460-D481 PolarHBondContact OG1-OD1 3.42Å; D481-T483 HydrophobicContact CB-CG2 4.2Å; D481-N520 PolarHBondContact O-ND2 2.86Å
482	L	83.1	Confident	84.7	Confident	1 Å²	1	61 Å²	61	1%	0.005	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	103.9	162.5	-177.8	65.3	0	0	0	108	T458 V459 I495 A511 D513 N520	T458-L482 CarbonylContact C-O 3.51Å; T458-L482 VanDerWaalsContact CA-O 3.29Å; T458-L482 WeakPolarHBondContact CA-O 3.3Å; V459-L482 PolarHBondContact N-O 3.1Å; V459-L482 PolarHBondContact O-N 3.03Å; L482-I495 HydrophobicContact CD2-CD1 3.86Å; L482-I495 HydrophobicContact CD2-CG1 4.45Å; L482-I495 HydrophobicContact CD2-CG2 3.55Å; L482-A511 HydrophobicContact CD2-CB 4.35Å; L482-D513 HydrophobicContact CD2-CB 4.38Å; L482-N520 HydrophobicContact CD1-CB 3.61Å
483	T	84.5	Confident	84.8	Confident	75 Å²	75	53.8 Å²	53.8	46%	0.46	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	167.6	-179.4	60.6	0	0	0	0	111.5	T458 D481 N518	T458-T483 HydrophobicContact CG2-CG2 3.85Å; D481-T483 HydrophobicContact CB-CG2 4.2Å; T483-N518 PolarHBondContact O-ND2 2.79Å
484	G	83.5	Confident	85.3	Confident	53 Å²	53	56.4 Å²	56.4	55%	0.546	33%	0.334	S	S	.	.			trans	78.9	25.3	175.7	0	0	0	0	0	113.6	P457 P486	P457-G484 PolarHBondContact O-N 3.43Å; P457-G484 VanDerWaalsContact O-N 3.13Å; G484-P486 WeakPolarHBondContact O-CD 3.26Å
485	I	84.6	Confident	85.5	Confident	8 Å²	8	55.4 Å²	55.4	4%	0.041	33%	0.329	C	S	.	.			trans	-73.8	124.6	175.1	-59.4	173.2	0	0	0	108.4	T451 P457 V459 P493 I495	T451-I485 HydrophobicContact CG2-CD1 4.43Å; T451-I485 HydrophobicContact CG2-CG2 4.25Å; P457-I485 PolarHBondContact O-N 2.88Å; P457-I485 VanDerWaalsContact O-N 3.1Å; V459-I485 HydrophobicContact CB-CD1 3.72Å; V459-I485 HydrophobicContact CG2-CD1 3.29Å; I485-P493 HydrophobicContact CG2-CB 3.92Å; I485-P493 HydrophobicContact CG2-CG 3.89Å; I485-I495 HydrophobicContact CD1-CD1 4.06Å; I485-I495 HydrophobicContact CG1-CD1 4.41Å
486	P	86.4	Confident	85.8	Confident	59 Å²	59	53.8 Å²	53.8	38%	0.383	32%	0.321	S	S	.	.			trans	-60.7	148.6	179.3	-23.5	33.2	0	0	0	112.6	G484 A488 T516	G484-P486 WeakPolarHBondContact O-CD 3.26Å; P486-A488 PolarHBondContact O-N 2.9Å; P486-A488 VanDerWaalsContact O-N 3.07Å; P486-T516 HydrophobicContact CG-CG2 3.28Å
487	P	89.3	Confident	86	Confident	110 Å²	110	50.2 Å²	50.2	71%	0.714	30%	0.303	S	S	*	.	S	Bend	trans	-57.7	114.8	173.1	-23.9	34	0	0	0	111.4	N455	N455-P487 HydrophobicContact CB-CB 4.2Å; N455-P487 WeakPolarHBondContact OD1-CB 3.34Å
488	A	89.9	Confident	86.4	Confident	19 Å²	19	50.2 Å²	50.2	16%	0.157	30%	0.303	C	S	.	.			trans	-146.6	157	176.5	0	0	0	0	0	110.1	N455 P486 V492 P493	N455-A488 PolarHBondContact N-O 2.65Å; N455-A488 PolarHBondContact OD1-N 3.32Å; P486-A488 PolarHBondContact O-N 2.9Å; P486-A488 VanDerWaalsContact O-N 3.07Å; A488-V492 HydrophobicContact CB-CB 4.16Å; A488-V492 HydrophobicContact CB-CG1 4.2Å; A488-P493 HydrophobicContact CB-CG 4.04Å
489	P	90	Very high	86.9	Confident	81 Å²	81	49.9 Å²	49.9	53%	0.526	30%	0.299	S	S	.	.			trans	-55.2	149.5	170.1	-22.6	33.1	0	0	0	111.5	V492	P489-V492 HydrophobicContact CB-CG2 3.99Å; P489-V492 HydrophobicContact CG-CG2 4.31Å; P489-V492 WeakPolarHBondContact O-CB 3.38Å; P489-V492 WeakPolarHBondContact O-CG2 3.49Å; P489-V492 PolarHBondContact O-N 3.47Å
490	R	87.1	Confident	87.3	Confident	174 Å²	174	50.3 Å²	50.3	66%	0.657	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	142.2	175.5	70.4	-176.7	-176.3	168.9	-0.7	110.8	D454 V492	D454-R490 WeakPolarHBondContact OD1-CB 3.12Å; D454-R490 WeakPolarHBondContact OD1-CG 3.45Å; D454-R490 PolarHBondContact OD1-N 3.49Å; R490-V492 VanDerWaalsContact C-N 3.26Å; R490-V492 PolarHBondContact O-N 2.97Å
491	G	83	Confident	87.9	Confident	54 Å²	54	49.8 Å²	49.8	56%	0.557	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.4	-4.6	-179.7	0	0	0	0	0	115.4	S450 T451	S450-G491 WeakPolarHBondContact OG-CA 3.29Å; S450-G491 PolarHBondContact OG-O 3.34Å; T451-G491 PolarHBondContact O-N 3.03Å
492	V	89.6	Confident	88.3	Confident	87 Å²	87	48.8 Å²	48.8	53%	0.527	29%	0.289	S	S	.	.			trans	-88.2	-46.8	179.2	177.3	0	0	0	0	113.3	S450 A488 P489 R490 Q494	S450-V492 PolarHBondContact OG-N 3.48Å; A488-V492 HydrophobicContact CB-CB 4.16Å; A488-V492 HydrophobicContact CB-CG1 4.2Å; P489-V492 HydrophobicContact CB-CG2 3.99Å; P489-V492 HydrophobicContact CG-CG2 4.31Å; P489-V492 WeakPolarHBondContact O-CB 3.38Å; P489-V492 WeakPolarHBondContact O-CG2 3.49Å; P489-V492 PolarHBondContact O-N 3.47Å; R490-V492 VanDerWaalsContact C-N 3.26Å; R490-V492 PolarHBondContact O-N 2.97Å; V492-Q494 PolarHBondContact O-N 3.1Å
493	P	87.1	Confident	88.8	Confident	12 Å²	12	51.6 Å²	51.6	8%	0.078	31%	0.306	C	S	.	.	S	Bend	trans	-58.2	135.8	177.6	-26.9	37.8	0	0	0	111.8	S450 T451 I485 A488 I495	S450-P493 WeakPolarHBondContact CA-O 3.25Å; S450-P493 WeakPolarHBondContact CB-O 3.37Å; S450-P493 PolarHBondContact OG-O 2.85Å; T451-P493 HydrophobicContact CG2-CB 4.03Å; T451-P493 HydrophobicContact CG2-CG 3.72Å; T451-P493 WeakPolarHBondContact OG1-CD 3.39Å; I485-P493 HydrophobicContact CG2-CB 3.92Å; I485-P493 HydrophobicContact CG2-CG 3.89Å; A488-P493 HydrophobicContact CB-CG 4.04Å; P493-I495 HydrophobicContact CB-CD1 4.18Å
494	Q	89.4	Confident	89	Confident	106 Å²	106	48.6 Å²	48.6	50%	0.495	29%	0.287	S	S	.	.			trans	-105.6	95.2	-179.3	-70.6	-167.8	-14.2	0	0	109.8	I448 V492 K514	I448-Q494 HydrophobicContact CG2-CB 4.06Å; I448-Q494 HydrophobicContact CG2-CG 4.32Å; V492-Q494 PolarHBondContact O-N 3.1Å; Q494-K514 HydrophobicContact CB-CB 4.03Å; Q494-K514 PolarHBondContact O-N 3.37Å
495	I	87.4	Confident	89.1	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	98.6	-178.4	-49.4	-49.7	0	0	0	108.6	I448 F449 V459 L482 I485 P493 V497 E512 D513	I448-I495 WeakPolarHBondContact CA-O 3.48Å; F449-I495 PolarHBondContact N-O 2.87Å; F449-I495 PolarHBondContact O-N 2.87Å; V459-I495 HydrophobicContact CG2-CG1 4.42Å; L482-I495 HydrophobicContact CD2-CD1 3.86Å; L482-I495 HydrophobicContact CD2-CG1 4.45Å; L482-I495 HydrophobicContact CD2-CG2 3.55Å; I485-I495 HydrophobicContact CD1-CD1 4.06Å; I485-I495 HydrophobicContact CG1-CD1 4.41Å; P493-I495 HydrophobicContact CB-CD1 4.18Å; I495-V497 HydrophobicContact CG2-CG2 4.27Å; I495-V497 PolarHBondContact O-N 3.16Å; I495-E512 CarbonylContact C-O 3.59Å; I495-D513 HydrophobicContact CD1-CB 3.91Å
496	E	90.6	Very high	89.3	Confident	41 Å²	41	47.2 Å²	47.2	19%	0.192	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	116.9	173.9	-176.2	177.9	-98.6	0	0	109.8	I448 A511 E512 K514	I448-E496 HydrophobicContact CG1-CB 4.37Å; E496-A511 CarbonylContact O-C 3.52Å; E496-A511 VanDerWaalsContact O-CA 3.32Å; E496-A511 WeakPolarHBondContact O-CA 3.42Å; E496-E512 PolarHBondContact N-O 3.09Å; E496-E512 PolarHBondContact O-N 3.41Å; E496-K514 HydrophobicContact CB-CD 4.49Å; E496-K514 HydrophobicContact CB-CG 4.21Å; E496-K514 VanDerWaalsContact CD-NZ 3.31Å; E496-K514 VanDerWaalsContact OE1-CE 3.26Å; E496-K514 WeakPolarHBondContact OE1-CE 3.16Å; E496-K514 IonicContact OE1-NZ 3.55Å; E496-K514 WeakPolarHBondContact OE2-CE 3.4Å; E496-K514 IonicContact OE2-NZ 3.63Å; E496-K514 PolarHBondContact OE2-NZ 3.36Å
497	V	89.2	Confident	89.3	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	126.2	172.3	-173.9	0	0	0	0	108.4	S446 Q447 F449 I461 I495 F499 V509 T510 A511	S446-V497 CarbonylContact C-O 3.56Å; S446-V497 WeakPolarHBondContact CA-O 3.31Å; Q447-V497 PolarHBondContact N-O 2.79Å; Q447-V497 PolarHBondContact O-N 3.27Å; F449-V497 HydrophobicContact CD2-CB 4.03Å; F449-V497 HydrophobicContact CD2-CG2 3.73Å; F449-V497 HydrophobicContact CE2-CB 4.09Å; F449-V497 HydrophobicContact CE2-CG2 4.25Å; I461-V497 HydrophobicContact CD1-CG2 3.64Å; I461-V497 HydrophobicContact CG1-CG2 4.4Å; I495-V497 HydrophobicContact CG2-CG2 4.27Å; I495-V497 PolarHBondContact O-N 3.16Å; V497-F499 HydrophobicContact CG1-CD2 4.01Å; V497-F499 HydrophobicContact CG1-CE2 3.62Å; V497-V509 HydrophobicContact CG1-CG1 3.8Å; V497-T510 CarbonylContact C-O 3.54Å; V497-T510 WeakPolarHBondContact CA-O 3.15Å; V497-A511 HydrophobicContact CG2-CB 4.39Å
498	T	91.2	Very high	89.2	Confident	8 Å²	8	45.1 Å²	45.1	5%	0.049	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124.6	-177.1	-63.4	0	0	0	0	110.1	K444 K445 S446 V509 T510	K444-T498 HydrophobicContact CD-CG2 4.24Å; K444-T498 HydrophobicContact CG-CG2 3.89Å; K445-T498 CarbonylContact O-C 3.57Å; K445-T498 WeakPolarHBondContact O-CA 3.4Å; S446-T498 WeakPolarHBondContact CB-OG1 3.37Å; S446-T498 WeakPolarHBondContact OG-CB 3.32Å; S446-T498 WeakPolarHBondContact OG-CG2 3.42Å; S446-T498 PolarHBondContact OG-OG1 3.04Å; T498-V509 CarbonylContact O-C 3.59Å; T498-V509 VanDerWaalsContact O-CA 3.29Å; T498-V509 WeakPolarHBondContact O-CA 3.19Å; T498-T510 WeakPolarHBondContact CB-OG1 3.39Å; T498-T510 PolarHBondContact N-O 3.14Å; T498-T510 PolarHBondContact O-N 3.46Å
499	F	92.6	Very high	89.1	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	128.7	173.2	-78.1	-129.3	0	0	0	107.9	L422 I424 L434 I435 K444 K445 V463 V497 L507 V509	L422-F499 HydrophobicContact CB-CD1 3.93Å; L422-F499 HydrophobicContact CB-CE1 3.97Å; L422-F499 HydrophobicContact CD1-CD1 4.41Å; I424-F499 HydrophobicContact CG2-CE2 3.79Å; I424-F499 HydrophobicContact CG2-CZ 3.51Å; L434-F499 HydrophobicContact CD2-CD2 3.36Å; L434-F499 HydrophobicContact CD2-CE2 3.46Å; L434-F499 VanDerWaalsContact CD2-CE2 3.46Å; L434-F499 HydrophobicContact CD2-CG 4.04Å; L434-F499 HydrophobicContact CD2-CZ 4.18Å; I435-F499 HydrophobicContact CD1-CB 3.6Å; I435-F499 HydrophobicContact CG1-CB 4.29Å; K444-F499 CarbonylContact C-O 3.25Å; K444-F499 VanDerWaalsContact CA-O 3.28Å; K444-F499 WeakPolarHBondContact CA-O 3.47Å; K445-F499 PolarHBondContact N-O 3.23Å; K445-F499 PolarHBondContact O-N 3.48Å; V463-F499 HydrophobicContact CB-CZ 4.47Å; V463-F499 HydrophobicContact CG1-CE1 3.64Å; V463-F499 HydrophobicContact CG1-CZ 3.7Å; V463-F499 HydrophobicContact CG2-CZ 4.09Å; V497-F499 HydrophobicContact CG1-CD2 4.01Å; V497-F499 HydrophobicContact CG1-CE2 3.62Å; F499-L507 HydrophobicContact CB-CD1 4.12Å; F499-L507 HydrophobicContact CD1-CD1 3.73Å; F499-L507 HydrophobicContact CD1-CD2 4.18Å; F499-L507 HydrophobicContact CE1-CD2 4.16Å; F499-L507 HydrophobicContact CG-CD1 4.2Å; F499-V509 HydrophobicContact CD1-CG2 4.22Å; F499-V509 HydrophobicContact CD2-CG1 3.99Å; F499-V509 HydrophobicContact CD2-CG2 4.24Å; F499-V509 HydrophobicContact CE1-CG2 4.17Å; F499-V509 HydrophobicContact CE2-CG1 3.71Å; F499-V509 HydrophobicContact CE2-CG2 4.17Å; F499-V509 HydrophobicContact CG-CG2 4.25Å; F499-V509 HydrophobicContact CZ-CG1 4.3Å; F499-V509 HydrophobicContact CZ-CG2 4.13Å
500	E	93	Very high	89	Confident	81 Å²	81	42.5 Å²	42.5	38%	0.379	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	123.7	175.5	179	177.7	-153.1	0	0	108	T443 R508	T443-E500 WeakPolarHBondContact O-CA 3.34Å; E500-R508 HydrophobicContact CB-CB 4.41Å; E500-R508 PolarHBondContact N-O 2.93Å; E500-R508 PolarHBondContact O-N 2.96Å
501	I	91.5	Very high	89	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	124.3	172.8	-50.5	176.7	0	0	0	107	C418 L422 I435 V441 P442 T443 L507	C418-I501 HydrophobicContact CB-CD1 3.75Å; L422-I501 HydrophobicContact CD1-CD1 3.47Å; L422-I501 VanDerWaalsContact CD1-CD1 3.47Å; L422-I501 HydrophobicContact CD1-CG1 3.87Å; I435-I501 HydrophobicContact CD1-CD1 3.85Å; I435-I501 HydrophobicContact CD1-CG1 3.91Å; I435-I501 HydrophobicContact CG2-CD1 3.94Å; V441-I501 HydrophobicContact CB-CG2 4.32Å; V441-I501 HydrophobicContact CG1-CB 4.07Å; V441-I501 HydrophobicContact CG1-CD1 4.33Å; V441-I501 HydrophobicContact CG1-CG2 3.63Å; P442-I501 CarbonylContact C-O 3.54Å; P442-I501 WeakPolarHBondContact CA-O 3.42Å; P442-I501 WeakPolarHBondContact CB-O 3.46Å; T443-I501 HydrophobicContact CG2-CB 4.18Å; T443-I501 HydrophobicContact CG2-CD1 3.99Å; T443-I501 HydrophobicContact CG2-CG1 4.21Å; T443-I501 PolarHBondContact N-O 2.8Å; T443-I501 PolarHBondContact O-N 3.27Å; I501-L507 HydrophobicContact CG1-CD1 4.24Å
502	D	91.9	Very high	89.3	Confident	52 Å²	52	33.5 Å²	33.5	28%	0.278	17%	0.174	S	C	.	.			trans	-80.2	-178.8	178.1	81.4	-7.4	0	0	0	112.3	N504 G505 I506	D502-N504 PolarHBondContact O-N 3.28Å; D502-N504 WeakPolarHBondContact OD1-CA 3.36Å; D502-N504 VanDerWaalsContact OD1-CB 3.29Å; D502-N504 WeakPolarHBondContact OD1-CB 3.4Å; D502-N504 PolarHBondContact OD1-N 3.1Å; D502-N504 PolarHBondContact OD2-ND2 3.26Å; D502-G505 PolarHBondContact O-N 2.78Å; D502-G505 PolarHBondContact OD1-N 2.97Å; D502-I506 PolarHBondContact N-O 3.45Å; D502-I506 VanDerWaalsContact N-O 3.13Å; D502-I506 PolarHBondContact OD1-N 2.81Å
503	V	92.3	Very high	89.2	Confident	61 Å²	61	29.6 Å²	29.6	37%	0.37	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-13	178.9	73.5	0	0	0	0	113.9	R195 G505	R195-V503 VanDerWaalsContact CZ-CG2 3.48Å; V503-G505 VanDerWaalsContact C-N 3.34Å
504	N	88.8	Confident	89.3	Confident	12 Å²	12	33 Å²	33	6%	0.064	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-1.5	174.9	-57.5	-62.2	0	0	0	112.1	R179 R195 I196 D502 I506	R179-N504 PolarHBondContact NH1-O 3.31Å; R195-N504 WeakPolarHBondContact CA-OD1 3.08Å; I196-N504 HydrophobicContact CB-CB 4.13Å; I196-N504 HydrophobicContact CG1-CB 4.48Å; I196-N504 PolarHBondContact N-OD1 3.01Å; D502-N504 PolarHBondContact O-N 3.28Å; D502-N504 WeakPolarHBondContact OD1-CA 3.36Å; D502-N504 VanDerWaalsContact OD1-CB 3.29Å; D502-N504 WeakPolarHBondContact OD1-CB 3.4Å; D502-N504 PolarHBondContact OD1-N 3.1Å; D502-N504 PolarHBondContact OD2-ND2 3.26Å; N504-I506 VanDerWaalsContact C-N 3.32Å; N504-I506 HydrophobicContact CB-CD1 3.92Å; N504-I506 HydrophobicContact CB-CG1 4.01Å
505	G	87.3	Confident	89	Confident	18 Å²	18	31.3 Å²	31.3	19%	0.186	18%	0.175	C	C	.	.	S	Bend	trans	75	19.5	-172.8	0	0	0	0	0	113.5	D502 V503	D502-G505 PolarHBondContact O-N 2.78Å; D502-G505 PolarHBondContact OD1-N 2.97Å; V503-G505 VanDerWaalsContact C-N 3.34Å
506	I	87.1	Confident	88.8	Confident	13 Å²	13	34.6 Å²	34.6	7%	0.067	20%	0.195	C	C	.	.			trans	-94.4	133.2	-177.9	-61.9	172.4	0	0	0	109.9	D176 R179 K183 D502 N504	D176-I506 WeakPolarHBondContact OD1-CA 3.47Å; R179-I506 HydrophobicContact CB-CG1 4.4Å; K183-I506 HydrophobicContact CD-CD1 3.94Å; D502-I506 PolarHBondContact N-O 3.45Å; D502-I506 VanDerWaalsContact N-O 3.13Å; D502-I506 PolarHBondContact OD1-N 2.81Å; N504-I506 VanDerWaalsContact C-N 3.32Å; N504-I506 HydrophobicContact CB-CD1 3.92Å; N504-I506 HydrophobicContact CB-CG1 4.01Å
507	L	86.9	Confident	88.2	Confident	4 Å²	4	34.6 Å²	34.6	2%	0.021	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	132.5	-174.9	178.8	62.4	0	0	0	113	D176 L422 V463 L477 F499 I501 V509 I524	D176-L507 PolarHBondContact OD1-N 2.97Å; L422-L507 HydrophobicContact CD1-CD1 3.82Å; L422-L507 HydrophobicContact CD1-CD2 4.01Å; L422-L507 HydrophobicContact CD1-CG 4.33Å; L422-L507 HydrophobicContact CD2-CD2 4.4Å; V463-L507 HydrophobicContact CG1-CD2 3.88Å; L477-L507 HydrophobicContact CD1-CD2 3.77Å; F499-L507 HydrophobicContact CB-CD1 4.12Å; F499-L507 HydrophobicContact CD1-CD1 3.73Å; F499-L507 HydrophobicContact CD1-CD2 4.18Å; F499-L507 HydrophobicContact CE1-CD2 4.16Å; F499-L507 HydrophobicContact CG-CD1 4.2Å; I501-L507 HydrophobicContact CG1-CD1 4.24Å; L507-V509 HydrophobicContact CD1-CG2 3.9Å; L507-V509 HydrophobicContact CD2-CG2 3.74Å; L507-V509 HydrophobicContact CG-CG2 3.71Å; L507-I524 HydrophobicContact CD2-CD1 3.65Å; L507-I524 HydrophobicContact CG-CD1 4.17Å
508	R	88	Confident	87.7	Confident	121 Å²	121	37.7 Å²	37.7	46%	0.457	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	131.6	163.5	-179.8	179.7	-74.4	167.3	1.5	109.8	E500 T510 T523	E500-R508 HydrophobicContact CB-CB 4.41Å; E500-R508 PolarHBondContact N-O 2.93Å; E500-R508 PolarHBondContact O-N 2.96Å; R508-T510 HydrophobicContact CG-CG2 4.44Å; R508-T523 PolarHBondContact NE-OG1 2.72Å
509	V	86.8	Confident	87	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	117.6	-179.9	-174.5	0	0	0	0	111	V463 F480 V497 T498 F499 L507 I522 I524	V463-V509 HydrophobicContact CG1-CG2 4.36Å; V463-V509 HydrophobicContact CG2-CG1 4.31Å; V463-V509 HydrophobicContact CG2-CG2 4.22Å; F480-V509 HydrophobicContact CE1-CB 4.37Å; F480-V509 HydrophobicContact CE1-CG1 3.89Å; F480-V509 HydrophobicContact CZ-CG1 3.72Å; V497-V509 HydrophobicContact CG1-CG1 3.8Å; T498-V509 CarbonylContact O-C 3.59Å; T498-V509 VanDerWaalsContact O-CA 3.29Å; T498-V509 WeakPolarHBondContact O-CA 3.19Å; F499-V509 HydrophobicContact CD1-CG2 4.22Å; F499-V509 HydrophobicContact CD2-CG1 3.99Å; F499-V509 HydrophobicContact CD2-CG2 4.24Å; F499-V509 HydrophobicContact CE1-CG2 4.17Å; F499-V509 HydrophobicContact CE2-CG1 3.71Å; F499-V509 HydrophobicContact CE2-CG2 4.17Å; F499-V509 HydrophobicContact CG-CG2 4.25Å; F499-V509 HydrophobicContact CZ-CG1 4.3Å; F499-V509 HydrophobicContact CZ-CG2 4.13Å; L507-V509 HydrophobicContact CD1-CG2 3.9Å; L507-V509 HydrophobicContact CD2-CG2 3.74Å; L507-V509 HydrophobicContact CG-CG2 3.71Å; V509-I522 CarbonylContact C-O 3.58Å; V509-I522 VanDerWaalsContact C-O 3.25Å; V509-I522 WeakPolarHBondContact CA-O 3.15Å; V509-I522 PolarHBondContact N-O 2.85Å; V509-I522 CarbonylContact O-C 3.55Å; V509-I522 VanDerWaalsContact O-C 3.25Å; V509-I522 VanDerWaalsContact O-CA 3.31Å; V509-I522 WeakPolarHBondContact O-CA 3.49Å; V509-I522 WeakPolarHBondContact O-CB 3.49Å; V509-I522 PolarHBondContact O-N 3.09Å; V509-I524 HydrophobicContact CB-CG1 4.42Å; V509-I524 HydrophobicContact CG2-CD1 3.81Å; V509-I524 HydrophobicContact CG2-CG1 4.04Å
510	T	87.4	Confident	85.9	Confident	46 Å²	46	46.7 Å²	46.7	28%	0.282	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	143.4	175.1	62.7	0	0	0	0	110.7	V497 T498 R508 K521	V497-T510 CarbonylContact C-O 3.54Å; V497-T510 WeakPolarHBondContact CA-O 3.15Å; T498-T510 WeakPolarHBondContact CB-OG1 3.39Å; T498-T510 PolarHBondContact N-O 3.14Å; T498-T510 PolarHBondContact O-N 3.46Å; R508-T510 HydrophobicContact CG-CG2 4.44Å; T510-K521 HydrophobicContact CG2-CB 3.86Å
511	A	87.1	Confident	84.5	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.008	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	130.6	172.5	0	0	0	0	0	110.2	I461 F480 L482 E496 V497 N520	I461-A511 HydrophobicContact CD1-CB 3.65Å; F480-A511 HydrophobicContact CE2-CB 3.76Å; F480-A511 HydrophobicContact CZ-CB 4.35Å; L482-A511 HydrophobicContact CD2-CB 4.35Å; E496-A511 CarbonylContact O-C 3.52Å; E496-A511 VanDerWaalsContact O-CA 3.32Å; E496-A511 WeakPolarHBondContact O-CA 3.42Å; V497-A511 HydrophobicContact CG2-CB 4.39Å; A511-N520 PolarHBondContact N-O 2.94Å; A511-N520 CarbonylContact O-C 3.57Å; A511-N520 PolarHBondContact O-N 2.96Å
512	E	89.1	Confident	82.8	Confident	38 Å²	38	52.1 Å²	52.1	18%	0.178	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	127.2	179.3	177.1	177.5	-160.9	0	0	109.5	I495 E496 K514 N518 K519	I495-E512 CarbonylContact C-O 3.59Å; E496-E512 PolarHBondContact N-O 3.09Å; E496-E512 PolarHBondContact O-N 3.41Å; E512-K514 HydrophobicContact CG-CD 4.36Å; E512-K514 PolarHBondContact O-N 2.89Å; E512-K514 IonicContact OE2-NZ 2.69Å; E512-K514 PolarHBondContact OE2-NZ 3.46Å; E512-N518 WeakPolarHBondContact CA-O 3.44Å; E512-K519 HydrophobicContact CB-CG 4Å; E512-K519 HydrophobicContact CG-CD 4.49Å; E512-K519 HydrophobicContact CG-CG 3.75Å; E512-K519 WeakPolarHBondContact OE1-CE 3.41Å; E512-K519 IonicContact OE1-NZ 3.41Å; E512-K519 PolarHBondContact OE1-NZ 3.28Å; E512-K519 WeakPolarHBondContact OE2-CE 3.31Å; E512-K519 IonicContact OE2-NZ 3.48Å
513	D	88.6	Confident	81.1	Confident	5 Å²	5	52.4 Å²	52.4	3%	0.027	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	109.4	162	173.5	11.2	0	0	0	108.8	L482 I495 G515 T516 G517 N518	L482-D513 HydrophobicContact CD2-CB 4.38Å; I495-D513 HydrophobicContact CD1-CB 3.91Å; D513-G515 PolarHBondContact O-N 2.98Å; D513-G515 PolarHBondContact OD1-N 3.2Å; D513-T516 WeakPolarHBondContact CB-OG1 3.31Å; D513-T516 VanDerWaalsContact CG-OG1 3.23Å; D513-T516 PolarHBondContact O-N 2.83Å; D513-T516 VanDerWaalsContact OD2-CG2 3.29Å; D513-T516 WeakPolarHBondContact OD2-CG2 3.44Å; D513-T516 PolarHBondContact OD2-OG1 2.96Å; D513-G517 WeakPolarHBondContact O-CA 3.34Å; D513-G517 PolarHBondContact O-N 2.73Å; D513-N518 PolarHBondContact N-O 3.05Å
514	K	88.7	Confident	79.2	Confident	83 Å²	83	49.8 Å²	49.8	36%	0.361	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-21.8	-179	-69.4	-63.8	-172.5	-162.5	0	113.5	Q494 E496 E512	Q494-K514 HydrophobicContact CB-CB 4.03Å; Q494-K514 PolarHBondContact O-N 3.37Å; E496-K514 HydrophobicContact CB-CD 4.49Å; E496-K514 HydrophobicContact CB-CG 4.21Å; E496-K514 VanDerWaalsContact CD-NZ 3.31Å; E496-K514 VanDerWaalsContact OE1-CE 3.26Å; E496-K514 WeakPolarHBondContact OE1-CE 3.16Å; E496-K514 IonicContact OE1-NZ 3.55Å; E496-K514 WeakPolarHBondContact OE2-CE 3.4Å; E496-K514 IonicContact OE2-NZ 3.63Å; E496-K514 PolarHBondContact OE2-NZ 3.36Å; E512-K514 HydrophobicContact CG-CD 4.36Å; E512-K514 PolarHBondContact O-N 2.89Å; E512-K514 IonicContact OE2-NZ 2.69Å; E512-K514 PolarHBondContact OE2-NZ 3.46Å
515	G	83.2	Confident	77.2	Confident	71 Å²	71	53.1 Å²	53.1	73%	0.732	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-40.7	179.4	0	0	0	0	0	112.7	D513	D513-G515 PolarHBondContact O-N 2.98Å; D513-G515 PolarHBondContact OD1-N 3.2Å
516	T	82.8	Confident	75.2	Confident	69 Å²	69	54.1 Å²	54.1	42%	0.423	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-17.6	-177.6	56.7	0	0	0	0	113.6	P486 D513 N518	P486-T516 HydrophobicContact CG-CG2 3.28Å; D513-T516 WeakPolarHBondContact CB-OG1 3.31Å; D513-T516 VanDerWaalsContact CG-OG1 3.23Å; D513-T516 PolarHBondContact O-N 2.83Å; D513-T516 VanDerWaalsContact OD2-CG2 3.29Å; D513-T516 WeakPolarHBondContact OD2-CG2 3.44Å; D513-T516 PolarHBondContact OD2-OG1 2.96Å; T516-N518 PolarHBondContact O-N 3.14Å; T516-N518 WeakPolarHBondContact OG1-CB 3.43Å; T516-N518 PolarHBondContact OG1-N 3.41Å; T516-N518 VanDerWaalsContact OG1-N 3.17Å
517	G	79.8	Confident	73.5	Confident	41 Å²	41	60 Å²	60	42%	0.423	33%	0.328	S	S	.	.			trans	68.7	7.3	-166.6	0	0	0	0	0	112.8	D513 K519	D513-G517 WeakPolarHBondContact O-CA 3.34Å; D513-G517 PolarHBondContact O-N 2.73Å; G517-K519 PolarHBondContact O-N 3.36Å
518	N	78.4	Confident	71.8	Confident	65 Å²	65	66.7 Å²	66.7	35%	0.348	36%	0.359	S	S	.	.			trans	-66	121.6	175.9	-172.6	17.3	0	0	0	108.8	T483 E512 D513 T516	T483-N518 PolarHBondContact O-ND2 2.79Å; E512-N518 WeakPolarHBondContact CA-O 3.44Å; D513-N518 PolarHBondContact N-O 3.05Å; T516-N518 PolarHBondContact O-N 3.14Å; T516-N518 WeakPolarHBondContact OG1-CB 3.43Å; T516-N518 PolarHBondContact OG1-N 3.41Å; T516-N518 VanDerWaalsContact OG1-N 3.17Å
519	K	76.4	Confident	70.4	Confident	139 Å²	139	63.3 Å²	63.3	60%	0.604	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.7	125.7	-178.3	-70.3	176.9	-179.5	-176.5	0	108.4	E512 G517	E512-K519 HydrophobicContact CB-CG 4Å; E512-K519 HydrophobicContact CG-CD 4.49Å; E512-K519 HydrophobicContact CG-CG 3.75Å; E512-K519 WeakPolarHBondContact OE1-CE 3.41Å; E512-K519 IonicContact OE1-NZ 3.41Å; E512-K519 PolarHBondContact OE1-NZ 3.28Å; E512-K519 WeakPolarHBondContact OE2-CE 3.31Å; E512-K519 IonicContact OE2-NZ 3.48Å; G517-K519 PolarHBondContact O-N 3.36Å
520	N	68.5	Low	69.6	Low	58 Å²	58	65 Å²	65	31%	0.31	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	113.9	159.3	-155.2	-7.4	0	0	0	107.7	D481 L482 A511	D481-N520 PolarHBondContact O-ND2 2.86Å; L482-N520 HydrophobicContact CD1-CB 3.61Å; A511-N520 PolarHBondContact N-O 2.94Å; A511-N520 CarbonylContact O-C 3.57Å; A511-N520 PolarHBondContact O-N 2.96Å
521	K	63.4	Low	68.9	Low	168 Å²	168	63.9 Å²	63.9	73%	0.73	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	135.1	177.7	70.9	-179.7	-177	179.3	0	108.3	T510	T510-K521 HydrophobicContact CG2-CB 3.86Å
522	I	56.8	Low	68.7	Low	30 Å²	30	65.9 Å²	65.9	15%	0.154	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	107.2	168.5	-76.3	-163.2	0	0	0	107.7	F480 V509 I524	F480-I522 HydrophobicContact CB-CD1 3.07Å; F480-I522 HydrophobicContact CB-CG1 4.38Å; F480-I522 HydrophobicContact CD1-CD1 3.8Å; F480-I522 HydrophobicContact CD1-CG2 4.47Å; F480-I522 HydrophobicContact CD2-CD1 3.92Å; F480-I522 HydrophobicContact CG-CD1 3.37Å; F480-I522 HydrophobicContact CG-CG1 4.32Å; V509-I522 CarbonylContact C-O 3.58Å; V509-I522 VanDerWaalsContact C-O 3.25Å; V509-I522 WeakPolarHBondContact CA-O 3.15Å; V509-I522 PolarHBondContact N-O 2.85Å; V509-I522 CarbonylContact O-C 3.55Å; V509-I522 VanDerWaalsContact O-C 3.25Å; V509-I522 VanDerWaalsContact O-CA 3.31Å; V509-I522 WeakPolarHBondContact O-CA 3.49Å; V509-I522 WeakPolarHBondContact O-CB 3.49Å; V509-I522 PolarHBondContact O-N 3.09Å; I522-I524 VanDerWaalsContact CG2-CA 3.44Å; I522-I524 HydrophobicContact CG2-CB 4.3Å; I522-I524 HydrophobicContact CG2-CG1 4Å; I522-I524 PolarHBondContact O-N 2.83Å
523	T	55.3	Low	68.4	Low	58 Å²	58	68.7 Å²	68.7	36%	0.356	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	127.2	138.6	-53.8	0	0	0	0	103.4	R508 T525	R508-T523 PolarHBondContact NE-OG1 2.72Å; T523-T525 PolarHBondContact O-N 3.29Å; T523-T525 PolarHBondContact O-OG1 3.21Å
524	I	52.9	Low	68.2	Low	5 Å²	5	74.2 Å²	74.2	3%	0.026	41%	0.408	C	S	.	.			trans	-59.9	81.9	-176.8	-60.5	-166.5	0	0	0	108.7	V463 L477 L507 V509 I522 N526 R530	V463-I524 HydrophobicContact CB-CD1 4.13Å; V463-I524 HydrophobicContact CG1-CD1 3.94Å; V463-I524 HydrophobicContact CG2-CD1 4.35Å; L477-I524 HydrophobicContact CB-CD1 4.11Å; L507-I524 HydrophobicContact CD2-CD1 3.65Å; L507-I524 HydrophobicContact CG-CD1 4.17Å; V509-I524 HydrophobicContact CB-CG1 4.42Å; V509-I524 HydrophobicContact CG2-CD1 3.81Å; V509-I524 HydrophobicContact CG2-CG1 4.04Å; I522-I524 VanDerWaalsContact CG2-CA 3.44Å; I522-I524 HydrophobicContact CG2-CB 4.3Å; I522-I524 HydrophobicContact CG2-CG1 4Å; I522-I524 PolarHBondContact O-N 2.83Å; I524-N526 VanDerWaalsContact C-N 3.25Å; I524-N526 PolarHBondContact O-N 3.3Å; I524-R530 WeakPolarHBondContact O-CD 3.33Å; I524-R530 PolarHBondContact O-NH1 3.09Å
525	T	46.9	Very low	67.9	Low	83 Å²	83	71.2 Å²	71.2	51%	0.509	40%	0.396	S	S	.	.			trans	-89.6	80.8	172.7	44.1	0	0	0	0	101.8	T523 D527	T523-T525 PolarHBondContact O-N 3.29Å; T523-T525 PolarHBondContact O-OG1 3.21Å; T525-D527 PolarHBondContact O-N 2.99Å
526	N	45.1	Very low	67.8	Low	39 Å²	39	69 Å²	69	21%	0.209	37%	0.367	C	S	.	.			trans	-66	95.6	173.2	-166.3	-21	0	0	0	106.3	L477 I524 Q528 N529 R530	L477-N526 PolarHBondContact O-ND2 2.78Å; L477-N526 VanDerWaalsContact O-ND2 3.08Å; I524-N526 VanDerWaalsContact C-N 3.25Å; I524-N526 PolarHBondContact O-N 3.3Å; N526-Q528 PolarHBondContact O-N 3.32Å; N526-N529 HydrophobicContact CB-CB 4.4Å; N526-N529 PolarHBondContact O-N 3.48Å; N526-N529 VanDerWaalsContact O-N 3.11Å; N526-R530 HydrophobicContact CB-CG 4.25Å; N526-R530 PolarHBondContact O-N 2.94Å
527	D	51.6	Low	67.8	Low	137 Å²	137	71.7 Å²	71.7	73%	0.733	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-9.6	-174.2	-73.9	-17.7	0	0	0	113.4	T525	T525-D527 PolarHBondContact O-N 2.99Å
528	Q	51.1	Low	68.4	Low	143 Å²	143	75.4 Å²	75.4	67%	0.668	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.1	-27.3	177.1	-62.1	-176.6	-0.1	0	0	114	N526	N526-Q528 PolarHBondContact O-N 3.32Å
529	N	57.6	Low	68.8	Low	51 Å²	51	72.7 Å²	72.7	27%	0.273	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	14.3	-175.4	-72.4	-9.8	0	0	0	114.5	K123 N526	K123-N529 WeakPolarHBondContact CE-O 3.21Å; K123-N529 PolarHBondContact NZ-O 3.34Å; N526-N529 HydrophobicContact CB-CB 4.4Å; N526-N529 PolarHBondContact O-N 3.48Å; N526-N529 VanDerWaalsContact O-N 3.11Å
530	R	71	Confident	69.1	Low	35 Å²	35	67.5 Å²	67.5	13%	0.132	34%	0.341	C	S	.	.	S	Bend	trans	-126.1	154.9	169.3	-74.8	-173.7	170.7	-176.2	-9.6	110.8	D176 I524 N526	D176-R530 PolarHBondContact O-NH2 3.46Å; D176-R530 IonicContact OD1-NH2 2.84Å; D176-R530 IonicContact OD2-CZ 3.4Å; D176-R530 IonicContact OD2-NH1 2.68Å; D176-R530 IonicContact OD2-NH2 2.8Å; D176-R530 PolarHBondContact OD2-NH2 3.03Å; I524-R530 WeakPolarHBondContact O-CD 3.33Å; I524-R530 PolarHBondContact O-NH1 3.09Å; N526-R530 HydrophobicContact CB-CG 4.25Å; N526-R530 PolarHBondContact O-N 2.94Å
531	L	73.3	Confident	70	Confident	22 Å²	22	68.8 Å²	68.8	12%	0.115	35%	0.348	C	S	.	.			trans	-70.6	130.7	171.3	-62.1	174.5	0	0	0	107.8	E141 D184 I188 D535 I536 M539	E141-L531 HydrophobicContact CB-CD1 3.9Å; E141-L531 HydrophobicContact CG-CD1 3.88Å; D184-L531 HydrophobicContact CB-CD1 4.36Å; I188-L531 HydrophobicContact CD1-CD1 4.19Å; L531-D535 HydrophobicContact CB-CB 4.3Å; L531-D535 HydrophobicContact CD2-CB 4.27Å; L531-I536 HydrophobicContact CB-CD1 4.23Å; L531-I536 HydrophobicContact CB-CG1 3.7Å; L531-I536 HydrophobicContact CD1-CG1 4.32Å; L531-M539 HydrophobicContact CD1-CE 4.23Å; L531-M539 HydrophobicContact CD1-SD 3.65Å; L531-M539 HydrophobicContact CD2-CE 3.52Å; L531-M539 HydrophobicContact CD2-SD 4.01Å; L531-M539 HydrophobicContact CG-SD 4.44Å
532	T	82.5	Confident	70.9	Confident	43 Å²	43	62.3 Å²	62.3	26%	0.264	32%	0.322	S	S	.	.			trans	-74.2	160.4	171.9	77.5	0	0	0	0	109.6	E534 D535 I536	T532-E534 WeakPolarHBondContact CB-OE2 3.48Å; T532-E534 PolarHBondContact O-N 3.11Å; T532-E534 PolarHBondContact OG1-N 3.46Å; T532-E534 PolarHBondContact OG1-OE2 3.37Å; T532-D535 WeakPolarHBondContact O-CB 3.44Å; T532-D535 PolarHBondContact O-N 3.39Å; T532-D535 PolarHBondContact OG1-N 3.34Å; T532-D535 VanDerWaalsContact OG1-N 3.15Å; T532-I536 WeakPolarHBondContact O-CG1 3.45Å; T532-I536 PolarHBondContact O-N 2.95Å
533	P	81.8	Confident	71.9	Confident	97 Å²	97	61.9 Å²	61.9	63%	0.63	32%	0.322	S	S	*	.	H	α-helix	trans	-52.1	-36.8	173.1	-27.5	36.6	0	0	0	112.9	I536 E537	P533-I536 PolarHBondContact O-N 3.23Å; P533-E537 WeakPolarHBondContact O-CB 3.24Å; P533-E537 PolarHBondContact O-N 2.66Å
534	E	84.6	Confident	73.3	Confident	122 Å²	122	64.9 Å²	64.9	57%	0.57	33%	0.332	S	S	*	.	H	α-helix	trans	-71.1	-36.6	177.1	-53.8	76.8	-166.8	0	0	112.4	T532 R538	T532-E534 WeakPolarHBondContact CB-OE2 3.48Å; T532-E534 PolarHBondContact O-N 3.11Å; T532-E534 PolarHBondContact OG1-N 3.46Å; T532-E534 PolarHBondContact OG1-OE2 3.37Å; E534-R538 WeakPolarHBondContact O-CB 3.37Å; E534-R538 PolarHBondContact O-N 3.01Å
535	D	84.1	Confident	74.9	Confident	20 Å²	20	70.2 Å²	70.2	11%	0.107	35%	0.352	C	S	.	.	H	α-helix	trans	-64.1	-43.9	172.2	-80	-30	0	0	0	110.5	K121 L531 T532 R538 M539	K121-D535 IonicContact NZ-OD2 3.53Å; L531-D535 HydrophobicContact CB-CB 4.3Å; L531-D535 HydrophobicContact CD2-CB 4.27Å; T532-D535 WeakPolarHBondContact O-CB 3.44Å; T532-D535 PolarHBondContact O-N 3.39Å; T532-D535 PolarHBondContact OG1-N 3.34Å; T532-D535 VanDerWaalsContact OG1-N 3.15Å; D535-R538 PolarHBondContact O-N 3.3Å; D535-R538 IonicContact OD1-CZ 3.84Å; D535-R538 IonicContact OD1-NH1 3.61Å; D535-R538 PolarHBondContact OD1-NH1 2.84Å; D535-R538 IonicContact OD1-NH2 2.69Å; D535-R538 PolarHBondContact OD1-NH2 3.45Å; D535-M539 WeakPolarHBondContact O-CB 3.36Å; D535-M539 WeakPolarHBondContact O-CG 3.45Å; D535-M539 PolarHBondContact O-N 2.9Å
536	I	80.2	Confident	76.5	Confident	25 Å²	25	66.8 Å²	66.8	13%	0.128	33%	0.33	C	S	.	.	H	α-helix	trans	-63	-48.4	176.6	-65.6	173.1	0	0	0	110.5	D184 T187 I188 L531 T532 P533 R538 M539 V540	D184-I536 HydrophobicContact CB-CD1 4.29Å; T187-I536 HydrophobicContact CG2-CG2 3.89Å; I188-I536 HydrophobicContact CG1-CG2 4.32Å; L531-I536 HydrophobicContact CB-CD1 4.23Å; L531-I536 HydrophobicContact CB-CG1 3.7Å; L531-I536 HydrophobicContact CD1-CG1 4.32Å; T532-I536 WeakPolarHBondContact O-CG1 3.45Å; T532-I536 PolarHBondContact O-N 2.95Å; P533-I536 PolarHBondContact O-N 3.23Å; I536-R538 VanDerWaalsContact C-N 3.32Å; I536-R538 PolarHBondContact O-N 3.45Å; I536-M539 CarbonylContact O-C 3.54Å; I536-M539 WeakPolarHBondContact O-CA 3.46Å; I536-M539 WeakPolarHBondContact O-CB 3.06Å; I536-M539 PolarHBondContact O-N 3.45Å; I536-V540 HydrophobicContact CG2-CG2 4.16Å; I536-V540 VanDerWaalsContact O-CG2 3.31Å; I536-V540 WeakPolarHBondContact O-CG2 3.25Å; I536-V540 PolarHBondContact O-N 2.99Å
537	E	83.2	Confident	78	Confident	125 Å²	125	66.8 Å²	66.8	58%	0.584	34%	0.335	S	S	*	.	H	α-helix	trans	-59.8	-42.5	179.1	-174.4	178.1	-174.9	0	0	111.5	P533 M539 V540 N541	P533-E537 WeakPolarHBondContact O-CB 3.24Å; P533-E537 PolarHBondContact O-N 2.66Å; E537-M539 VanDerWaalsContact C-N 3.32Å; E537-M539 PolarHBondContact O-N 3.08Å; E537-V540 PolarHBondContact O-N 2.9Å; E537-N541 VanDerWaalsContact O-CG 3.24Å; E537-N541 PolarHBondContact O-N 3.15Å; E537-N541 PolarHBondContact O-ND2 2.94Å; E537-N541 VanDerWaalsContact O-ND2 3.09Å
538	R	90.9	Very high	79.5	Confident	119 Å²	119	62.5 Å²	62.5	45%	0.449	31%	0.312	S	S	.	.	H	α-helix	trans	-60.5	-42	173	-175.4	-174.7	64.5	-117.5	-7.4	111.8	E534 D535 I536 N541 D542	E534-R538 WeakPolarHBondContact O-CB 3.37Å; E534-R538 PolarHBondContact O-N 3.01Å; D535-R538 PolarHBondContact O-N 3.3Å; D535-R538 IonicContact OD1-CZ 3.84Å; D535-R538 IonicContact OD1-NH1 3.61Å; D535-R538 PolarHBondContact OD1-NH1 2.84Å; D535-R538 IonicContact OD1-NH2 2.69Å; D535-R538 PolarHBondContact OD1-NH2 3.45Å; I536-R538 VanDerWaalsContact C-N 3.32Å; I536-R538 PolarHBondContact O-N 3.45Å; R538-N541 PolarHBondContact O-N 3.36Å; R538-D542 PolarHBondContact O-N 3.45Å
539	M	88.5	Confident	80.9	Confident	7 Å²	7	59.4 Å²	59.4	3%	0.034	30%	0.298	C	S	.	.	H	α-helix	trans	-68.4	-37.9	178.4	-71.5	173.3	177.9	0	0	112.3	A139 E142 I188 L531 D535 I536 E537 D542 A543	A139-M539 HydrophobicContact CB-CE 3.9Å; E142-M539 HydrophobicContact CG-CB 4.19Å; E142-M539 HydrophobicContact CG-CE 3.99Å; E142-M539 HydrophobicContact CG-CG 3.72Å; E142-M539 HydrophobicContact CG-SD 3.57Å; E142-M539 VanDerWaalsContact CG-SD 3.57Å; E142-M539 WeakPolarHBondContact OE2-CE 3.36Å; I188-M539 HydrophobicContact CD1-CB 3.94Å; I188-M539 HydrophobicContact CD1-CG 4.46Å; I188-M539 HydrophobicContact CD1-SD 3.72Å; I188-M539 HydrophobicContact CG1-CB 3.87Å; I188-M539 HydrophobicContact CG2-CB 4.07Å; L531-M539 HydrophobicContact CD1-CE 4.23Å; L531-M539 HydrophobicContact CD1-SD 3.65Å; L531-M539 HydrophobicContact CD2-CE 3.52Å; L531-M539 HydrophobicContact CD2-SD 4.01Å; L531-M539 HydrophobicContact CG-SD 4.44Å; D535-M539 WeakPolarHBondContact O-CB 3.36Å; D535-M539 WeakPolarHBondContact O-CG 3.45Å; D535-M539 PolarHBondContact O-N 2.9Å; I536-M539 CarbonylContact O-C 3.54Å; I536-M539 WeakPolarHBondContact O-CA 3.46Å; I536-M539 WeakPolarHBondContact O-CB 3.06Å; I536-M539 PolarHBondContact O-N 3.45Å; E537-M539 VanDerWaalsContact C-N 3.32Å; E537-M539 PolarHBondContact O-N 3.08Å; M539-D542 PolarHBondContact O-N 3.16Å; M539-A543 WeakPolarHBondContact O-CB 3.34Å; M539-A543 PolarHBondContact O-N 2.68Å
540	V	82.8	Confident	81.9	Confident	30 Å²	30	58.6 Å²	58.6	18%	0.182	29%	0.293	C	S	.	.	H	α-helix	trans	-59.5	-49.7	171.7	170.6	0	0	0	0	109.6	I536 E537 D542 A543 E544	I536-V540 HydrophobicContact CG2-CG2 4.16Å; I536-V540 VanDerWaalsContact O-CG2 3.31Å; I536-V540 WeakPolarHBondContact O-CG2 3.25Å; I536-V540 PolarHBondContact O-N 2.99Å; E537-V540 PolarHBondContact O-N 2.9Å; V540-D542 VanDerWaalsContact C-N 3.31Å; V540-D542 PolarHBondContact O-N 3.46Å; V540-A543 CarbonylContact O-C 3.57Å; V540-A543 WeakPolarHBondContact O-CB 3.38Å; V540-A543 PolarHBondContact O-N 3Å; V540-A543 VanDerWaalsContact O-N 3.09Å; V540-E544 HydrophobicContact CG1-CG 4.44Å; V540-E544 WeakPolarHBondContact O-CG 3.16Å; V540-E544 PolarHBondContact O-N 3.37Å
541	N	86.6	Confident	82.4	Confident	85 Å²	85	63.6 Å²	63.6	46%	0.455	31%	0.313	S	S	.	.	H	α-helix	trans	-60.3	-39.9	177.7	-69.2	-35.4	0	0	0	112.3	E537 R538 E544 R545	E537-N541 VanDerWaalsContact O-CG 3.24Å; E537-N541 PolarHBondContact O-N 3.15Å; E537-N541 PolarHBondContact O-ND2 2.94Å; E537-N541 VanDerWaalsContact O-ND2 3.09Å; R538-N541 PolarHBondContact O-N 3.36Å; N541-E544 PolarHBondContact O-N 2.84Å; N541-R545 PolarHBondContact O-N 2.75Å
542	D	82.6	Confident	82.9	Confident	33 Å²	33	68 Å²	68	18%	0.176	33%	0.331	C	S	.	.	H	α-helix	trans	-65.1	-41	174.2	-92.3	-14	0	0	0	111.8	K136 R538 M539 V540 R545 F546	K136-D542 VanDerWaalsContact NZ-CG 3.32Å; K136-D542 IonicContact NZ-OD1 2.75Å; K136-D542 IonicContact NZ-OD2 3.46Å; K136-D542 PolarHBondContact NZ-OD2 3.5Å; R538-D542 PolarHBondContact O-N 3.45Å; M539-D542 PolarHBondContact O-N 3.16Å; V540-D542 VanDerWaalsContact C-N 3.31Å; V540-D542 PolarHBondContact O-N 3.46Å; D542-R545 PolarHBondContact O-N 3.05Å; D542-R545 IonicContact OD1-CZ 2.95Å; D542-R545 IonicContact OD1-NH1 3.11Å; D542-R545 IonicContact OD1-NH2 3.25Å; D542-R545 PolarHBondContact OD1-NH2 2.79Å; D542-F546 WeakPolarHBondContact O-CD2 3.32Å; D542-F546 PolarHBondContact O-N 2.74Å; D542-F546 VanDerWaalsContact O-N 3.15Å
543	A	78.2	Confident	82.7	Confident	20 Å²	20	67.7 Å²	67.7	17%	0.165	33%	0.327	C	S	.	.	H	α-helix	trans	-65.7	-38.9	176.4	0	0	0	0	0	112	I188 M539 V540 F546 A547	I188-A543 HydrophobicContact CG2-CB 4Å; I188-A543 WeakPolarHBondContact O-CB 3.26Å; M539-A543 WeakPolarHBondContact O-CB 3.34Å; M539-A543 PolarHBondContact O-N 2.68Å; V540-A543 CarbonylContact O-C 3.57Å; V540-A543 WeakPolarHBondContact O-CB 3.38Å; V540-A543 PolarHBondContact O-N 3Å; V540-A543 VanDerWaalsContact O-N 3.09Å; A543-F546 PolarHBondContact O-N 2.77Å; A543-A547 WeakPolarHBondContact O-CB 3.34Å; A543-A547 PolarHBondContact O-N 3.29Å
544	E	83.5	Confident	82.5	Confident	122 Å²	122	69.2 Å²	69.2	57%	0.57	32%	0.324	S	S	*	.	H	α-helix	trans	-64.3	-39.3	173.8	-73.6	-175	166.8	0	0	112.1	V540 N541 A547 D548	V540-E544 HydrophobicContact CG1-CG 4.44Å; V540-E544 WeakPolarHBondContact O-CG 3.16Å; V540-E544 PolarHBondContact O-N 3.37Å; N541-E544 PolarHBondContact O-N 2.84Å; E544-A547 PolarHBondContact O-N 2.76Å; E544-D548 PolarHBondContact O-N 3.46Å
545	R	86.3	Confident	82.5	Confident	116 Å²	116	67.4 Å²	67.4	44%	0.438	32%	0.315	S	S	.	.	H	α-helix	trans	-60.6	-47.7	173.5	-176	-179.1	63.7	-135.2	-24.1	111.3	N541 D542 A547 D548 E549	N541-R545 PolarHBondContact O-N 2.75Å; D542-R545 PolarHBondContact O-N 3.05Å; D542-R545 IonicContact OD1-CZ 2.95Å; D542-R545 IonicContact OD1-NH1 3.11Å; D542-R545 IonicContact OD1-NH2 3.25Å; D542-R545 PolarHBondContact OD1-NH2 2.79Å; R545-A547 VanDerWaalsContact C-N 3.32Å; R545-A547 PolarHBondContact O-N 2.78Å; R545-D548 PolarHBondContact O-N 2.8Å; R545-E549 WeakPolarHBondContact O-CG 3.35Å; R545-E549 PolarHBondContact O-N 2.82Å
546	F	80.3	Confident	82.6	Confident	12 Å²	12	69.6 Å²	69.6	5%	0.053	32%	0.322	C	S	.	.	H	α-helix	trans	-64.3	-37.1	177.1	-69	-59.2	0	0	0	112.1	R72 K136 F138 D542 A543 D548 E549 D550	R72-F546 VanDerWaalsContact CZ-CB 3.47Å; R72-F546 VanDerWaalsContact NH1-CB 3.35Å; K136-F546 HydrophobicContact CD-CZ 4.45Å; F138-F546 HydrophobicContact CE1-CE2 4.1Å; F138-F546 HydrophobicContact CE1-CZ 4.45Å; F138-F546 HydrophobicContact CZ-CE2 4.27Å; F138-F546 HydrophobicContact CZ-CZ 4.19Å; D542-F546 WeakPolarHBondContact O-CD2 3.32Å; D542-F546 PolarHBondContact O-N 2.74Å; D542-F546 VanDerWaalsContact O-N 3.15Å; A543-F546 PolarHBondContact O-N 2.77Å; F546-D548 VanDerWaalsContact C-N 3.31Å; F546-D548 PolarHBondContact O-N 2.94Å; F546-E549 WeakPolarHBondContact CD1-OE2 3.32Å; F546-E549 PolarHBondContact O-N 3.28Å; F546-D550 WeakPolarHBondContact O-CB 3.43Å; F546-D550 PolarHBondContact O-N 3.1Å
547	A	77.6	Confident	82.5	Confident	38 Å²	38	71.1 Å²	71.1	31%	0.314	33%	0.33	S	S	.	.	H	α-helix	trans	-64.6	-34.9	175.3	0	0	0	0	0	112.5	A543 E544 R545 R551	A543-A547 WeakPolarHBondContact O-CB 3.34Å; A543-A547 PolarHBondContact O-N 3.29Å; E544-A547 PolarHBondContact O-N 2.76Å; R545-A547 VanDerWaalsContact C-N 3.32Å; R545-A547 PolarHBondContact O-N 2.78Å; A547-R551 WeakPolarHBondContact O-CB 3.49Å; A547-R551 PolarHBondContact O-N 3.19Å
548	D	82.8	Confident	82.4	Confident	47 Å²	47	68.6 Å²	68.6	25%	0.251	32%	0.321	S	S	.	.	H	α-helix	trans	-67.2	-40.9	172.9	-176	58.9	0	0	0	112.2	E544 R545 F546 R551 K552	E544-D548 PolarHBondContact O-N 3.46Å; R545-D548 PolarHBondContact O-N 2.8Å; F546-D548 VanDerWaalsContact C-N 3.31Å; F546-D548 PolarHBondContact O-N 2.94Å; D548-R551 PolarHBondContact O-N 3.49Å; D548-R551 IonicContact OD1-CZ 2.7Å; D548-R551 IonicContact OD1-NE 3.89Å; D548-R551 IonicContact OD1-NH2 3.63Å; D548-R551 PolarHBondContact OD1-NH2 3.06Å; D548-K552 WeakPolarHBondContact O-CG 3.41Å; D548-K552 PolarHBondContact O-N 3.27Å; D548-K552 VanDerWaalsContact OD2-CE 3.25Å; D548-K552 WeakPolarHBondContact OD2-CE 3.49Å; D548-K552 IonicContact OD2-NZ 2.58Å; D548-K552 PolarHBondContact OD2-NZ 2.67Å
549	E	81.6	Confident	82.1	Confident	79 Å²	79	63.3 Å²	63.3	37%	0.369	30%	0.302	S	S	.	.	H	α-helix	trans	-62	-47.6	173.8	-70.6	167.1	-172.2	0	0	111.3	R545 F546 R551 K552 L553	R545-E549 WeakPolarHBondContact O-CG 3.35Å; R545-E549 PolarHBondContact O-N 2.82Å; F546-E549 WeakPolarHBondContact CD1-OE2 3.32Å; F546-E549 PolarHBondContact O-N 3.28Å; E549-R551 VanDerWaalsContact C-N 3.33Å; E549-R551 PolarHBondContact O-N 2.91Å; E549-K552 PolarHBondContact O-N 2.91Å; E549-L553 WeakPolarHBondContact O-CB 3.39Å; E549-L553 PolarHBondContact O-N 3.5Å
550	D	77.4	Confident	82	Confident	33 Å²	33	66 Å²	66	18%	0.176	31%	0.312	C	S	.	.	H	α-helix	trans	-61.7	-40.6	177.2	-68	-12.6	0	0	0	111.5	R72 F546 L553 K554	R72-D550 IonicContact CZ-OD2 3.65Å; R72-D550 IonicContact NE-OD2 2.61Å; R72-D550 PolarHBondContact NE-OD2 3.44Å; R72-D550 IonicContact NH2-OD2 3.5Å; R72-D550 PolarHBondContact NH2-OD2 3.47Å; F546-D550 WeakPolarHBondContact O-CB 3.43Å; F546-D550 PolarHBondContact O-N 3.1Å; D550-L553 PolarHBondContact O-N 3.39Å; D550-K554 WeakPolarHBondContact O-CB 3.4Å; D550-K554 PolarHBondContact O-N 3.39Å
551	R	82.1	Confident	82	Confident	141 Å²	141	67.2 Å²	67.2	53%	0.532	32%	0.317	S	S	.	.	H	α-helix	trans	-61.7	-48.7	174.9	177.5	-179.9	62.6	167.2	1.4	111.7	A547 D548 E549 L553 K554 E555	A547-R551 WeakPolarHBondContact O-CB 3.49Å; A547-R551 PolarHBondContact O-N 3.19Å; D548-R551 PolarHBondContact O-N 3.49Å; D548-R551 IonicContact OD1-CZ 2.7Å; D548-R551 IonicContact OD1-NE 3.89Å; D548-R551 IonicContact OD1-NH2 3.63Å; D548-R551 PolarHBondContact OD1-NH2 3.06Å; E549-R551 VanDerWaalsContact C-N 3.33Å; E549-R551 PolarHBondContact O-N 2.91Å; R551-L553 VanDerWaalsContact C-N 3.3Å; R551-L553 PolarHBondContact O-N 3.05Å; R551-K554 WeakPolarHBondContact O-CB 3.29Å; R551-K554 PolarHBondContact O-N 3.06Å; R551-E555 HydrophobicContact CG-CG 4.44Å; R551-E555 WeakPolarHBondContact CG-OE1 3.49Å; R551-E555 WeakPolarHBondContact O-CG 3.37Å; R551-E555 PolarHBondContact O-N 3.18Å
552	K	83.4	Confident	81.9	Confident	114 Å²	114	68.1 Å²	68.1	50%	0.496	32%	0.319	S	S	.	.	H	α-helix	trans	-61.3	-41.1	178.6	-75.9	167	174.2	163.4	0	111.6	D548 E549 K554 E555 R556	D548-K552 WeakPolarHBondContact O-CG 3.41Å; D548-K552 PolarHBondContact O-N 3.27Å; D548-K552 VanDerWaalsContact OD2-CE 3.25Å; D548-K552 WeakPolarHBondContact OD2-CE 3.49Å; D548-K552 IonicContact OD2-NZ 2.58Å; D548-K552 PolarHBondContact OD2-NZ 2.67Å; E549-K552 PolarHBondContact O-N 2.91Å; K552-K554 VanDerWaalsContact C-N 3.35Å; K552-E555 PolarHBondContact O-N 3.2Å; K552-R556 WeakPolarHBondContact O-CB 3.28Å; K552-R556 PolarHBondContact O-N 2.84Å
553	L	79	Confident	82.2	Confident	36 Å²	36	66.6 Å²	66.6	19%	0.188	31%	0.311	C	S	.	.	H	α-helix	trans	-61.7	-44.3	175	177.3	60.2	0	0	0	111.3	E71 E549 D550 R551 R556 I557	E71-L553 HydrophobicContact CG-CD2 3.66Å; E71-L553 WeakPolarHBondContact OE1-CD2 3.31Å; E549-L553 WeakPolarHBondContact O-CB 3.39Å; E549-L553 PolarHBondContact O-N 3.5Å; D550-L553 PolarHBondContact O-N 3.39Å; R551-L553 VanDerWaalsContact C-N 3.3Å; R551-L553 PolarHBondContact O-N 3.05Å; L553-R556 VanDerWaalsContact CD1-NH2 3.34Å; L553-R556 WeakPolarHBondContact O-CB 3.33Å; L553-R556 PolarHBondContact O-N 3.06Å; L553-I557 HydrophobicContact CD1-CD1 3.96Å; L553-I557 HydrophobicContact CD1-CG1 4.28Å; L553-I557 HydrophobicContact CG-CD1 3.98Å; L553-I557 WeakPolarHBondContact O-CG1 3.31Å; L553-I557 PolarHBondContact O-N 3.05Å
554	K	78.2	Confident	82.6	Confident	129 Å²	129	69.2 Å²	69.2	56%	0.561	32%	0.319	S	S	*	.	H	α-helix	trans	-60.7	-50.8	175.7	-177.6	-179.4	177.3	-178.5	0	111.9	D550 R551 K552 R556 I557 D558	D550-K554 WeakPolarHBondContact O-CB 3.4Å; D550-K554 PolarHBondContact O-N 3.39Å; R551-K554 WeakPolarHBondContact O-CB 3.29Å; R551-K554 PolarHBondContact O-N 3.06Å; K552-K554 VanDerWaalsContact C-N 3.35Å; K554-R556 PolarHBondContact O-N 3.07Å; K554-I557 PolarHBondContact O-N 2.8Å; K554-I557 VanDerWaalsContact O-N 3.11Å; K554-D558 WeakPolarHBondContact O-CB 3.46Å; K554-D558 PolarHBondContact O-N 3.42Å
555	E	83.4	Confident	82.7	Confident	84 Å²	84	67.1 Å²	67.1	39%	0.393	32%	0.319	S	S	.	.	H	α-helix	trans	-56.1	-41.2	178.6	-73	170.5	179.5	0	0	111.5	R551 K552 D558 A559 L611	R551-E555 HydrophobicContact CG-CG 4.44Å; R551-E555 WeakPolarHBondContact CG-OE1 3.49Å; R551-E555 WeakPolarHBondContact O-CG 3.37Å; R551-E555 PolarHBondContact O-N 3.18Å; K552-E555 PolarHBondContact O-N 3.2Å; E555-D558 PolarHBondContact O-N 3.43Å; E555-A559 WeakPolarHBondContact O-CB 3.41Å; E555-A559 PolarHBondContact O-N 3Å; E555-L611 HydrophobicContact CB-CD1 4.47Å; E555-L611 HydrophobicContact CB-CD2 4.29Å; E555-L611 WeakPolarHBondContact O-CD1 3.39Å
556	R	85.6	Confident	82.8	Confident	66 Å²	66	64.3 Å²	64.3	25%	0.249	31%	0.308	C	S	.	.	H	α-helix	trans	-63.7	-46.1	175.3	-173.9	-173.7	83.3	132.5	-7.3	112.6	K552 L553 K554 A559 R560 D608 A609 F614	K552-R556 WeakPolarHBondContact O-CB 3.28Å; K552-R556 PolarHBondContact O-N 2.84Å; L553-R556 VanDerWaalsContact CD1-NH2 3.34Å; L553-R556 WeakPolarHBondContact O-CB 3.33Å; L553-R556 PolarHBondContact O-N 3.06Å; K554-R556 PolarHBondContact O-N 3.07Å; R556-A559 PolarHBondContact O-N 3.08Å; R556-R560 PolarHBondContact O-N 3.5Å; R556-D608 VanDerWaalsContact NH1-C 3.29Å; R556-D608 PolarHBondContact NH1-O 3.26Å; R556-A609 VanDerWaalsContact CD-O 3.23Å; R556-A609 WeakPolarHBondContact CD-O 3.34Å; R556-A609 PolarHBondContact NH1-O 2.77Å; R556-F614 HydrophobicContact CG-CD2 4.05Å; R556-F614 HydrophobicContact CG-CE2 3.94Å
557	I	78.5	Confident	83.3	Confident	58 Å²	58	63.8 Å²	63.8	30%	0.297	31%	0.306	S	S	.	.	H	α-helix	trans	-64.2	-42.4	177.5	-70.5	170.1	0	0	0	110.6	L553 K554 R560 N561	L553-I557 HydrophobicContact CD1-CD1 3.96Å; L553-I557 HydrophobicContact CD1-CG1 4.28Å; L553-I557 HydrophobicContact CG-CD1 3.98Å; L553-I557 WeakPolarHBondContact O-CG1 3.31Å; L553-I557 PolarHBondContact O-N 3.05Å; K554-I557 PolarHBondContact O-N 2.8Å; K554-I557 VanDerWaalsContact O-N 3.11Å; I557-R560 PolarHBondContact O-N 2.95Å; I557-N561 WeakPolarHBondContact CG2-ND2 3.44Å; I557-N561 WeakPolarHBondContact O-CB 3.46Å; I557-N561 PolarHBondContact O-N 2.73Å; I557-N561 PolarHBondContact O-ND2 2.98Å; I557-N561 PolarHBondContact O-OD1 2.93Å
558	D	80.8	Confident	83.7	Confident	72 Å²	72	66.4 Å²	66.4	39%	0.385	31%	0.308	S	S	.	.	H	α-helix	trans	-61.5	-45.9	177.2	-72.7	-19.3	0	0	0	110.6	K554 E555 R560 N561 E562	K554-D558 WeakPolarHBondContact O-CB 3.46Å; K554-D558 PolarHBondContact O-N 3.42Å; E555-D558 PolarHBondContact O-N 3.43Å; D558-R560 PolarHBondContact O-N 3.25Å; D558-N561 PolarHBondContact O-N 3.05Å; D558-E562 WeakPolarHBondContact O-CB 3.26Å; D558-E562 WeakPolarHBondContact O-CG 3.43Å; D558-E562 PolarHBondContact O-N 3.14Å
559	A	85	Confident	84	Confident	7 Å²	7	66.6 Å²	66.6	6%	0.058	31%	0.313	C	S	.	.	H	α-helix	trans	-62	-39.7	175.8	0	0	0	0	0	113.3	E555 R556 E562 L563 L611 F614 Q615	E555-A559 WeakPolarHBondContact O-CB 3.41Å; E555-A559 PolarHBondContact O-N 3Å; R556-A559 PolarHBondContact O-N 3.08Å; A559-E562 PolarHBondContact O-N 3.04Å; A559-L563 PolarHBondContact O-N 2.96Å; A559-L611 HydrophobicContact CB-CD1 3.43Å; A559-L611 VanDerWaalsContact CB-CD1 3.43Å; A559-F614 HydrophobicContact CB-CB 4.01Å; A559-Q615 HydrophobicContact CB-CG 4.39Å
560	R	86.2	Confident	84.4	Confident	64 Å²	64	63 Å²	63	24%	0.242	30%	0.297	C	S	.	.	H	α-helix	trans	-61.6	-49.7	172.9	-174.5	-165.5	77.7	-177.7	3.4	111	R556 I557 D558 E562 L563 E564 F614	R556-R560 PolarHBondContact O-N 3.5Å; I557-R560 PolarHBondContact O-N 2.95Å; D558-R560 PolarHBondContact O-N 3.25Å; R560-E562 VanDerWaalsContact C-N 3.27Å; R560-E562 PolarHBondContact O-N 3.1Å; R560-L563 PolarHBondContact O-N 2.82Å; R560-E564 WeakPolarHBondContact O-CB 3.48Å; R560-E564 PolarHBondContact O-N 3.21Å; R560-F614 HydrophobicContact CB-CD1 3.99Å; R560-F614 HydrophobicContact CB-CD2 4.05Å; R560-F614 HydrophobicContact CB-CE1 3.91Å; R560-F614 HydrophobicContact CB-CE2 3.93Å; R560-F614 HydrophobicContact CB-CG 4.1Å; R560-F614 HydrophobicContact CB-CZ 3.88Å; R560-F614 HydrophobicContact CG-CD1 4.06Å; R560-F614 HydrophobicContact CG-CE1 3.6Å; R560-F614 HydrophobicContact CG-CE2 4.32Å; R560-F614 HydrophobicContact CG-CZ 3.74Å
561	N	82.4	Confident	84.9	Confident	55 Å²	55	65.5 Å²	65.5	29%	0.294	31%	0.306	S	S	.	.	H	α-helix	trans	-64.1	-34.2	-178.7	-67.2	-17	0	0	0	111.6	I557 D558 S565	I557-N561 WeakPolarHBondContact CG2-ND2 3.44Å; I557-N561 WeakPolarHBondContact O-CB 3.46Å; I557-N561 PolarHBondContact O-N 2.73Å; I557-N561 PolarHBondContact O-ND2 2.98Å; I557-N561 PolarHBondContact O-OD1 2.93Å; D558-N561 PolarHBondContact O-N 3.05Å; N561-S565 WeakPolarHBondContact O-CB 3.31Å; N561-S565 PolarHBondContact O-N 3.01Å; N561-S565 PolarHBondContact O-OG 2.77Å
562	E	84.8	Confident	85.2	Confident	105 Å²	105	64.3 Å²	64.3	49%	0.491	31%	0.31	S	S	.	.	H	α-helix	trans	-64	-47.3	172	-78.3	-174.3	-169.1	0	0	112.1	D558 A559 R560 Y566 K618	D558-E562 WeakPolarHBondContact O-CB 3.26Å; D558-E562 WeakPolarHBondContact O-CG 3.43Å; D558-E562 PolarHBondContact O-N 3.14Å; A559-E562 PolarHBondContact O-N 3.04Å; R560-E562 VanDerWaalsContact C-N 3.27Å; R560-E562 PolarHBondContact O-N 3.1Å; E562-Y566 WeakPolarHBondContact O-CB 3.48Å; E562-Y566 PolarHBondContact O-N 3.18Å; E562-K618 IonicContact OE2-NZ 3.29Å; E562-K618 PolarHBondContact OE2-NZ 2.84Å
563	L	89.6	Confident	85.4	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-60.7	-45.8	175.6	173.7	60.2	0	0	0	111	A559 R560 Y566 A567 W602 M603 F614 K617 K618 L621	A559-L563 PolarHBondContact O-N 2.96Å; R560-L563 PolarHBondContact O-N 2.82Å; L563-Y566 PolarHBondContact O-N 2.94Å; L563-A567 WeakPolarHBondContact O-CB 3.37Å; L563-A567 PolarHBondContact O-N 3.4Å; L563-W602 HydrophobicContact CD2-CZ3 4.32Å; L563-M603 HydrophobicContact CB-SD 4.1Å; L563-M603 HydrophobicContact CD2-CG 3.75Å; L563-M603 HydrophobicContact CD2-SD 3.65Å; L563-M603 HydrophobicContact CG-CE 4.3Å; L563-M603 HydrophobicContact CG-CG 4.3Å; L563-M603 HydrophobicContact CG-SD 3.53Å; L563-M603 VanDerWaalsContact CG-SD 3.53Å; L563-F614 HydrophobicContact CD2-CD1 4.15Å; L563-K617 HydrophobicContact CD2-CB 3.83Å; L563-K618 HydrophobicContact CB-CB 4.43Å; L563-K618 HydrophobicContact CD1-CB 3.91Å; L563-K618 HydrophobicContact CD1-CG 4.43Å; L563-L621 HydrophobicContact CD1-CD2 4.4Å
564	E	85.6	Confident	85.9	Confident	75 Å²	75	61.2 Å²	61.2	35%	0.35	30%	0.296	S	S	.	.	H	α-helix	trans	-60.6	-52.3	178.7	-175	175.2	-164.7	0	0	111.2	R560 Y566 A567 Y568 M603	R560-E564 WeakPolarHBondContact O-CB 3.48Å; R560-E564 PolarHBondContact O-N 3.21Å; E564-Y566 VanDerWaalsContact C-N 3.27Å; E564-Y566 PolarHBondContact O-N 2.75Å; E564-A567 PolarHBondContact O-N 2.85Å; E564-Y568 HydrophobicContact CG-CD2 3.73Å; E564-Y568 HydrophobicContact CG-CE2 3.8Å; E564-Y568 WeakPolarHBondContact O-CD2 3.3Å; E564-Y568 PolarHBondContact O-N 2.92Å; E564-M603 HydrophobicContact CB-CE 4.26Å; E564-M603 HydrophobicContact CB-SD 3.93Å
565	S	86	Confident	86.2	Confident	79 Å²	79	57.3 Å²	57.3	55%	0.552	29%	0.293	S	S	*	.	H	α-helix	trans	-59.2	-40.6	178	-62.1	0	0	0	0	111.6	N561 S569	N561-S565 WeakPolarHBondContact O-CB 3.31Å; N561-S565 PolarHBondContact O-N 3.01Å; N561-S565 PolarHBondContact O-OG 2.77Å; S565-S569 WeakPolarHBondContact O-CB 3.45Å; S565-S569 PolarHBondContact O-N 3.35Å
566	Y	88.8	Confident	86.3	Confident	57 Å²	57	55.5 Å²	55.5	22%	0.224	29%	0.286	C	S	.	.	H	α-helix	trans	-66.3	-47.9	177.8	-176.2	-122.8	0	0	0	111.9	E562 L563 E564 Y568 S569 L570 K618 L621 E622	E562-Y566 WeakPolarHBondContact O-CB 3.48Å; E562-Y566 PolarHBondContact O-N 3.18Å; L563-Y566 PolarHBondContact O-N 2.94Å; E564-Y566 VanDerWaalsContact C-N 3.27Å; E564-Y566 PolarHBondContact O-N 2.75Å; Y566-Y568 PolarHBondContact O-N 2.96Å; Y566-S569 PolarHBondContact O-N 3.09Å; Y566-L570 HydrophobicContact CD1-CD1 4.07Å; Y566-L570 HydrophobicContact CD2-CD1 4.38Å; Y566-L570 HydrophobicContact CD2-CG 4.42Å; Y566-L570 HydrophobicContact CE1-CD1 3.63Å; Y566-L570 HydrophobicContact CE2-CD1 3.97Å; Y566-L570 HydrophobicContact CE2-CD2 4.35Å; Y566-L570 HydrophobicContact CE2-CG 4.11Å; Y566-L570 HydrophobicContact CG-CD1 4.42Å; Y566-L570 WeakPolarHBondContact O-CG 3.28Å; Y566-L570 PolarHBondContact O-N 3.43Å; Y566-K618 HydrophobicContact CD1-CG 4.4Å; Y566-L621 HydrophobicContact CD1-CD2 3.79Å; Y566-L621 HydrophobicContact CD1-CG 4.25Å; Y566-L621 HydrophobicContact CE1-CB 4.4Å; Y566-L621 HydrophobicContact CE1-CD2 3.97Å; Y566-L621 HydrophobicContact CE1-CG 3.91Å; Y566-E622 HydrophobicContact CD1-CG 4.49Å; Y566-E622 HydrophobicContact CE1-CG 3.59Å
567	A	90.1	Very high	86.3	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-60.2	-47.3	178.2	0	0	0	0	0	112	L563 E564 L570 K571 V596 I600 M603 L621	L563-A567 WeakPolarHBondContact O-CB 3.37Å; L563-A567 PolarHBondContact O-N 3.4Å; E564-A567 PolarHBondContact O-N 2.85Å; A567-L570 PolarHBondContact O-N 2.95Å; A567-K571 PolarHBondContact O-N 3.36Å; A567-V596 HydrophobicContact CB-CG1 4.38Å; A567-V596 WeakPolarHBondContact O-CG1 3.42Å; A567-I600 HydrophobicContact CB-CG1 4.15Å; A567-M603 HydrophobicContact CB-CE 4.28Å; A567-L621 HydrophobicContact CB-CD2 4.13Å
568	Y	86.9	Confident	86.5	Confident	94 Å²	94	66.4 Å²	66.4	37%	0.369	34%	0.336	S	S	.	.	H	α-helix	trans	-69	-35.8	177.5	-82.7	-75.8	0	0	0	113.1	E564 Y566 K571 N572 I600	E564-Y568 HydrophobicContact CG-CD2 3.73Å; E564-Y568 HydrophobicContact CG-CE2 3.8Å; E564-Y568 WeakPolarHBondContact O-CD2 3.3Å; E564-Y568 PolarHBondContact O-N 2.92Å; Y566-Y568 PolarHBondContact O-N 2.96Å; Y568-K571 WeakPolarHBondContact O-CB 3.2Å; Y568-K571 PolarHBondContact O-N 2.94Å; Y568-N572 PolarHBondContact O-N 3.35Å; Y568-N572 PolarHBondContact O-ND2 2.77Å; Y568-I600 HydrophobicContact CE1-CD1 4.3Å; Y568-I600 HydrophobicContact CE2-CD1 4.48Å
569	S	88.8	Confident	86.7	Confident	50 Å²	50	69.4 Å²	69.4	35%	0.35	35%	0.345	S	S	.	.	H	α-helix	trans	-60.3	-46.2	173	-178.5	0	0	0	0	111	S565 Y566 N572 Q573	S565-S569 WeakPolarHBondContact O-CB 3.45Å; S565-S569 PolarHBondContact O-N 3.35Å; Y566-S569 PolarHBondContact O-N 3.09Å; S569-N572 PolarHBondContact O-N 2.85Å; S569-Q573 VanDerWaalsContact O-CG 3.29Å; S569-Q573 WeakPolarHBondContact O-CG 3.49Å; S569-Q573 PolarHBondContact O-N 3.34Å; S569-Q573 PolarHBondContact OG-NE2 2.99Å; S569-Q573 VanDerWaalsContact OG-NE2 3.16Å
570	L	89.6	Confident	86.5	Confident	4 Å²	4	70 Å²	70	2%	0.021	35%	0.347	C	S	.	.	H	α-helix	trans	-61.8	-44.9	175.1	-71.9	172.7	0	0	0	111.9	Y566 A567 N572 Q573 I574 V596 L621 V625	Y566-L570 HydrophobicContact CD1-CD1 4.07Å; Y566-L570 HydrophobicContact CD2-CD1 4.38Å; Y566-L570 HydrophobicContact CD2-CG 4.42Å; Y566-L570 HydrophobicContact CE1-CD1 3.63Å; Y566-L570 HydrophobicContact CE2-CD1 3.97Å; Y566-L570 HydrophobicContact CE2-CD2 4.35Å; Y566-L570 HydrophobicContact CE2-CG 4.11Å; Y566-L570 HydrophobicContact CG-CD1 4.42Å; Y566-L570 WeakPolarHBondContact O-CG 3.28Å; Y566-L570 PolarHBondContact O-N 3.43Å; A567-L570 PolarHBondContact O-N 2.95Å; L570-N572 PolarHBondContact O-N 2.83Å; L570-Q573 PolarHBondContact O-N 3.44Å; L570-Q573 VanDerWaalsContact O-N 3.12Å; L570-I574 VanDerWaalsContact O-CG1 3.31Å; L570-I574 WeakPolarHBondContact O-CG1 3.19Å; L570-I574 WeakPolarHBondContact O-CG2 3.46Å; L570-I574 PolarHBondContact O-N 2.97Å; L570-V596 HydrophobicContact CB-CG2 3.83Å; L570-V596 HydrophobicContact CD1-CG2 4.23Å; L570-L621 HydrophobicContact CD1-CD1 4.36Å; L570-L621 HydrophobicContact CD1-CD2 4.01Å; L570-L621 HydrophobicContact CD1-CG 4.06Å; L570-V625 HydrophobicContact CD1-CB 4.47Å; L570-V625 HydrophobicContact CD1-CG1 4.21Å; L570-V625 HydrophobicContact CD1-CG2 3.78Å; L570-V625 HydrophobicContact CD2-CG1 3.72Å
571	K	89.3	Confident	86.3	Confident	86 Å²	86	67.3 Å²	67.3	37%	0.374	34%	0.34	S	S	.	.	H	α-helix	trans	-54	-41.9	175.2	-163.8	170	-175.8	165	0	112.4	A567 Y568 I574 G575 V596 I600	A567-K571 PolarHBondContact O-N 3.36Å; Y568-K571 WeakPolarHBondContact O-CB 3.2Å; Y568-K571 PolarHBondContact O-N 2.94Å; K571-I574 WeakPolarHBondContact O-CG1 3.45Å; K571-G575 PolarHBondContact O-N 3.48Å; K571-V596 HydrophobicContact CB-CG1 3.99Å; K571-V596 HydrophobicContact CG-CG1 4.45Å; K571-I600 HydrophobicContact CD-CD1 4.15Å
572	N	88.2	Confident	86.4	Confident	116 Å²	116	67.1 Å²	67.1	62%	0.62	35%	0.351	S	S	*	.	H	α-helix	trans	-71.8	-42	177.3	-70.4	-25.1	0	0	0	112.1	Y568 S569 L570 G575 D576	Y568-N572 PolarHBondContact O-N 3.35Å; Y568-N572 PolarHBondContact O-ND2 2.77Å; S569-N572 PolarHBondContact O-N 2.85Å; L570-N572 PolarHBondContact O-N 2.83Å; N572-G575 PolarHBondContact O-N 3.02Å; N572-D576 PolarHBondContact O-N 3.33Å; N572-D576 VanDerWaalsContact O-N 3.12Å
573	Q	87.3	Confident	86.5	Confident	82 Å²	82	68.8 Å²	68.8	38%	0.383	36%	0.357	S	S	.	.	H	α-helix	trans	-65	-39.7	-179.4	-71.7	177.1	28.7	0	0	112.9	S569 L570 G575 D576 L580 G581	S569-Q573 VanDerWaalsContact O-CG 3.29Å; S569-Q573 WeakPolarHBondContact O-CG 3.49Å; S569-Q573 PolarHBondContact O-N 3.34Å; S569-Q573 PolarHBondContact OG-NE2 2.99Å; S569-Q573 VanDerWaalsContact OG-NE2 3.16Å; L570-Q573 PolarHBondContact O-N 3.44Å; L570-Q573 VanDerWaalsContact O-N 3.12Å; Q573-G575 VanDerWaalsContact C-N 3.34Å; Q573-D576 PolarHBondContact O-N 3.48Å; Q573-L580 HydrophobicContact CB-CB 4.47Å; Q573-L580 HydrophobicContact CB-CD2 3.96Å; Q573-G581 PolarHBondContact O-N 3.05Å
574	I	88.6	Confident	86.4	Confident	2 Å²	2	69.5 Å²	69.5	1%	0.01	36%	0.36	C	S	.	.	H	α-helix	trans	-75	-24.5	176.4	67.8	-163.4	0	0	0	112.7	L570 K571 G581 L584 K589 I592 E593	L570-I574 VanDerWaalsContact O-CG1 3.31Å; L570-I574 WeakPolarHBondContact O-CG1 3.19Å; L570-I574 WeakPolarHBondContact O-CG2 3.46Å; L570-I574 PolarHBondContact O-N 2.97Å; K571-I574 WeakPolarHBondContact O-CG1 3.45Å; I574-G581 WeakPolarHBondContact O-CA 3.33Å; I574-L584 HydrophobicContact CG2-CD1 3.97Å; I574-K589 WeakPolarHBondContact O-CE 3.48Å; I574-K589 PolarHBondContact O-NZ 3.04Å; I574-K589 VanDerWaalsContact O-NZ 3.17Å; I574-I592 HydrophobicContact CD1-CG2 3.91Å; I574-I592 HydrophobicContact CG2-CB 4.29Å; I574-I592 HydrophobicContact CG2-CD1 4.38Å; I574-I592 HydrophobicContact CG2-CG2 3.72Å; I574-E593 HydrophobicContact CD1-CB 4.31Å; I574-E593 HydrophobicContact CD1-CG 3.42Å; I574-E593 VanDerWaalsContact CD1-CG 3.42Å; I574-E593 HydrophobicContact CG1-CG 4.08Å
575	G	85.4	Confident	86.6	Confident	47 Å²	47	68.4 Å²	68.4	49%	0.485	36%	0.361	S	S	.	.	H	α-helix	trans	-73.6	-24.1	171.8	0	0	0	0	0	113.9	K571 N572 Q573 K577	K571-G575 PolarHBondContact O-N 3.48Å; N572-G575 PolarHBondContact O-N 3.02Å; Q573-G575 VanDerWaalsContact C-N 3.34Å; G575-K577 PolarHBondContact O-N 2.94Å; G575-K577 VanDerWaalsContact O-N 3.13Å
576	D	85.8	Confident	86.7	Confident	47 Å²	47	71.6 Å²	71.6	25%	0.251	37%	0.371	S	S	.	.			trans	-76.7	96.8	-179.6	-170.3	-17.4	0	0	0	111.4	N572 Q573 E578 K579 G581 G582	N572-D576 PolarHBondContact O-N 3.33Å; N572-D576 VanDerWaalsContact O-N 3.12Å; Q573-D576 PolarHBondContact O-N 3.48Å; D576-E578 PolarHBondContact O-N 3.09Å; D576-E578 PolarHBondContact OD1-N 2.78Å; D576-K579 HydrophobicContact CB-CB 4.38Å; D576-K579 PolarHBondContact O-N 3.38Å; D576-K579 PolarHBondContact OD1-N 3.07Å; D576-K579 WeakPolarHBondContact OD2-CD 3.47Å; D576-K579 WeakPolarHBondContact OD2-CE 3.41Å; D576-K579 WeakPolarHBondContact OD2-CG 3.19Å; D576-K579 IonicContact OD2-NZ 3.19Å; D576-K579 PolarHBondContact OD2-NZ 2.9Å; D576-G581 WeakPolarHBondContact O-CA 3.32Å; D576-G581 PolarHBondContact O-N 2.92Å; D576-G581 VanDerWaalsContact O-N 3.08Å; D576-G582 PolarHBondContact O-N 2.92Å
577	K	84.3	Confident	86.7	Confident	170 Å²	170	76.5 Å²	76.5	74%	0.739	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-18.1	179.2	-65.3	-173.2	-179.7	-177.4	0	113.8	G575 G582	G575-K577 PolarHBondContact O-N 2.94Å; G575-K577 VanDerWaalsContact O-N 3.13Å; K577-G582 WeakPolarHBondContact O-CA 2.75Å
578	E	82.9	Confident	86.7	Confident	182 Å²	182	78.6 Å²	78.6	85%	0.85	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-13.2	178.9	-61.9	-174.3	171.1	0	0	112.3	D576	D576-E578 PolarHBondContact O-N 3.09Å; D576-E578 PolarHBondContact OD1-N 2.78Å
579	K	85.8	Confident	86.8	Confident	136 Å²	136	76 Å²	76	59%	0.591	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.2	-117.7	-177.5	-61.3	-175.9	-165.1	150.1	0	112.4	D576 G582 K583	D576-K579 HydrophobicContact CB-CB 4.38Å; D576-K579 PolarHBondContact O-N 3.38Å; D576-K579 PolarHBondContact OD1-N 3.07Å; D576-K579 WeakPolarHBondContact OD2-CD 3.47Å; D576-K579 WeakPolarHBondContact OD2-CE 3.41Å; D576-K579 WeakPolarHBondContact OD2-CG 3.19Å; D576-K579 IonicContact OD2-NZ 3.19Å; D576-K579 PolarHBondContact OD2-NZ 2.9Å; K579-G582 PolarHBondContact O-N 3.13Å; K579-K583 WeakPolarHBondContact O-CG 3.32Å; K579-K583 PolarHBondContact O-N 2.81Å
580	L	81.3	Confident	87	Confident	19 Å²	19	80.4 Å²	80.4	10%	0.099	41%	0.413	C	S	.	.	H	α-helix	trans	-66	-44.9	-172.7	-175.8	67.5	0	0	0	110.3	Q573 G582 K583 L584 I629 L632	Q573-L580 HydrophobicContact CB-CB 4.47Å; Q573-L580 HydrophobicContact CB-CD2 3.96Å; L580-G582 PolarHBondContact O-N 3.14Å; L580-G582 VanDerWaalsContact O-N 3.17Å; L580-K583 PolarHBondContact O-N 3.03Å; L580-L584 HydrophobicContact CD1-CG 4.44Å; L580-L584 HydrophobicContact CG-CD1 3.96Å; L580-L584 HydrophobicContact CG-CG 4.32Å; L580-L584 WeakPolarHBondContact O-CG 3.09Å; L580-L584 PolarHBondContact O-N 2.87Å; L580-L584 VanDerWaalsContact O-N 3.17Å; L580-I629 HydrophobicContact CD2-CD1 4.25Å; L580-I629 HydrophobicContact CD2-CG1 4.47Å; L580-L632 HydrophobicContact CD1-CD1 4.33Å; L580-L632 HydrophobicContact CD1-CD2 4.33Å
581	G	81.2	Confident	87.1	Confident	8 Å²	8	82.3 Å²	82.3	8%	0.082	43%	0.43	C	S	.	.	H	α-helix	trans	-60.7	-22.8	178.8	0	0	0	0	0	115.7	Q573 I574 D576	Q573-G581 PolarHBondContact O-N 3.05Å; I574-G581 WeakPolarHBondContact O-CA 3.33Å; D576-G581 WeakPolarHBondContact O-CA 3.32Å; D576-G581 PolarHBondContact O-N 2.92Å; D576-G581 VanDerWaalsContact O-N 3.08Å
582	G	84.1	Confident	87.2	Confident	51 Å²	51	78.2 Å²	78.2	53%	0.526	41%	0.412	S	S	.	.	H	α-helix	trans	-90.8	-12.4	174.8	0	0	0	0	0	114.9	D576 K577 K579 L580	D576-G582 PolarHBondContact O-N 2.92Å; K577-G582 WeakPolarHBondContact O-CA 2.75Å; K579-G582 PolarHBondContact O-N 3.13Å; L580-G582 PolarHBondContact O-N 3.14Å; L580-G582 VanDerWaalsContact O-N 3.17Å
583	K	86.4	Confident	87.4	Confident	140 Å²	140	76.2 Å²	76.2	61%	0.609	40%	0.399	S	S	*	.	H	α-helix	trans	-102.6	-16.6	-179.2	-65.3	176.1	-176.1	-177.9	0	113.2	K579 L580 L632	K579-K583 WeakPolarHBondContact O-CG 3.32Å; K579-K583 PolarHBondContact O-N 2.81Å; L580-K583 PolarHBondContact O-N 3.03Å; K583-L632 HydrophobicContact CB-CD1 3.97Å; K583-L632 HydrophobicContact CB-CD2 3.77Å; K583-L632 HydrophobicContact CB-CG 4.23Å; K583-L632 HydrophobicContact CD-CD2 3.99Å; K583-L632 WeakPolarHBondContact O-CD1 3.48Å
584	L	87.9	Confident	87.7	Confident	15 Å²	15	78.5 Å²	78.5	8%	0.079	41%	0.408	C	S	.	.	S	Bend	trans	-74.4	147.3	177	-71.9	165.7	0	0	0	110.7	I574 L580 D588 K589 I592 I628 L632	I574-L584 HydrophobicContact CG2-CD1 3.97Å; L580-L584 HydrophobicContact CD1-CG 4.44Å; L580-L584 HydrophobicContact CG-CD1 3.96Å; L580-L584 HydrophobicContact CG-CG 4.32Å; L580-L584 WeakPolarHBondContact O-CG 3.09Å; L580-L584 PolarHBondContact O-N 2.87Å; L580-L584 VanDerWaalsContact O-N 3.17Å; L584-D588 HydrophobicContact CD2-CB 4.1Å; L584-K589 HydrophobicContact CB-CB 4.19Å; L584-I592 HydrophobicContact CD1-CD1 4.12Å; L584-I592 HydrophobicContact CD2-CD1 4.27Å; L584-I628 HydrophobicContact CD2-CG2 3.45Å; L584-I628 VanDerWaalsContact CD2-CG2 3.45Å; L584-L632 HydrophobicContact CB-CD1 4.48Å; L584-L632 HydrophobicContact CD2-CD1 3.5Å; L584-L632 HydrophobicContact CG-CD1 3.86Å
585	S	89.6	Confident	88	Confident	52 Å²	52	79 Å²	79	36%	0.364	41%	0.412	S	S	.	.			trans	-69	156.2	165.8	72.1	0	0	0	0	110	E587 D588 K589	S585-E587 PolarHBondContact O-N 2.87Å; S585-D588 PolarHBondContact O-N 2.8Å; S585-D588 VanDerWaalsContact OG-CB 3.28Å; S585-D588 WeakPolarHBondContact OG-CB 3.34Å; S585-D588 PolarHBondContact OG-N 3.01Å; S585-D588 VanDerWaalsContact OG-N 3.08Å; S585-D588 PolarHBondContact OG-OD2 2.97Å; S585-K589 VanDerWaalsContact O-CB 3.28Å; S585-K589 WeakPolarHBondContact O-CB 3.48Å; S585-K589 PolarHBondContact O-N 2.88Å
586	D	87.9	Confident	88.4	Confident	145 Å²	145	76.8 Å²	76.8	78%	0.775	39%	0.389	S	S	*	.	H	α-helix	trans	-57.9	-37.4	177.6	-68	-29.7	0	0	0	111.4	K589 E590	D586-K589 PolarHBondContact O-N 2.67Å; D586-E590 WeakPolarHBondContact O-CB 3.44Å; D586-E590 PolarHBondContact O-N 3.46Å
587	E	90.1	Very high	88.8	Confident	160 Å²	160	79.3 Å²	79.3	75%	0.748	40%	0.399	S	S	*	.	H	α-helix	trans	-67.6	-46.7	177.7	-174	176.7	-170.6	0	0	112.3	S585 K589 E590 A591	S585-E587 PolarHBondContact O-N 2.87Å; E587-K589 VanDerWaalsContact C-N 3.3Å; E587-K589 PolarHBondContact O-N 2.95Å; E587-E590 PolarHBondContact O-N 2.85Å; E587-A591 WeakPolarHBondContact O-CB 3.4Å; E587-A591 PolarHBondContact O-N 2.61Å
588	D	90.1	Very high	89.3	Confident	45 Å²	45	75.7 Å²	75.7	24%	0.241	39%	0.385	C	S	.	.	H	α-helix	trans	-65.2	-36.4	177	-73.9	-44.7	0	0	0	111.7	L584 S585 I592 I628	L584-D588 HydrophobicContact CD2-CB 4.1Å; S585-D588 PolarHBondContact O-N 2.8Å; S585-D588 VanDerWaalsContact OG-CB 3.28Å; S585-D588 WeakPolarHBondContact OG-CB 3.34Å; S585-D588 PolarHBondContact OG-N 3.01Å; S585-D588 VanDerWaalsContact OG-N 3.08Å; S585-D588 PolarHBondContact OG-OD2 2.97Å; D588-I592 WeakPolarHBondContact O-CG1 3.34Å; D588-I592 PolarHBondContact O-N 3.08Å; D588-I592 VanDerWaalsContact O-N 3.15Å; D588-I628 HydrophobicContact CB-CG2 3.64Å
589	K	89.1	Confident	89.8	Confident	39 Å²	39	68 Å²	68	17%	0.17	35%	0.349	C	S	.	.	H	α-helix	trans	-66.7	-48	177.6	-177	173.2	176.4	166.3	0	111.3	I574 L584 S585 D586 E587 A591 I592 E593	I574-K589 WeakPolarHBondContact O-CE 3.48Å; I574-K589 PolarHBondContact O-NZ 3.04Å; I574-K589 VanDerWaalsContact O-NZ 3.17Å; L584-K589 HydrophobicContact CB-CB 4.19Å; S585-K589 VanDerWaalsContact O-CB 3.28Å; S585-K589 WeakPolarHBondContact O-CB 3.48Å; S585-K589 PolarHBondContact O-N 2.88Å; D586-K589 PolarHBondContact O-N 2.67Å; E587-K589 VanDerWaalsContact C-N 3.3Å; E587-K589 PolarHBondContact O-N 2.95Å; K589-A591 VanDerWaalsContact C-N 3.28Å; K589-A591 PolarHBondContact O-N 2.96Å; K589-I592 PolarHBondContact O-N 2.94Å; K589-E593 WeakPolarHBondContact CE-OE1 3.37Å; K589-E593 HydrophobicContact CG-CG 4.44Å; K589-E593 IonicContact NZ-OE1 2.74Å; K589-E593 WeakPolarHBondContact O-CG 3.29Å; K589-E593 PolarHBondContact O-N 2.86Å
590	E	91.8	Very high	90.1	Very high	142 Å²	142	62.1 Å²	62.1	66%	0.664	32%	0.324	S	S	*	.	H	α-helix	trans	-60.9	-38.4	177	-171.7	174.6	-177.7	0	0	111.4	D586 E587 E593 K594	D586-E590 WeakPolarHBondContact O-CB 3.44Å; D586-E590 PolarHBondContact O-N 3.46Å; E587-E590 PolarHBondContact O-N 2.85Å; E590-E593 PolarHBondContact O-N 3.23Å; E590-K594 VanDerWaalsContact O-CB 3.31Å; E590-K594 WeakPolarHBondContact O-CB 3.48Å; E590-K594 PolarHBondContact O-N 2.86Å
591	A	91.6	Very high	90.7	Very high	44 Å²	44	67.3 Å²	67.3	36%	0.364	35%	0.347	S	S	.	.	H	α-helix	trans	-62.5	-43.8	176.1	0	0	0	0	0	113	E587 K589 A595 I628	E587-A591 WeakPolarHBondContact O-CB 3.4Å; E587-A591 PolarHBondContact O-N 2.61Å; K589-A591 VanDerWaalsContact C-N 3.28Å; K589-A591 PolarHBondContact O-N 2.96Å; A591-A595 WeakPolarHBondContact O-CB 3.28Å; A591-A595 PolarHBondContact O-N 3.39Å; A591-A595 VanDerWaalsContact O-N 3.16Å; A591-I628 HydrophobicContact CB-CD1 4.28Å
592	I	91.4	Very high	91.3	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-69.6	-45.1	177.1	-64	171	0	0	0	110.9	I574 L584 D588 K589 K594 A595 V596 V625 I628	I574-I592 HydrophobicContact CD1-CG2 3.91Å; I574-I592 HydrophobicContact CG2-CB 4.29Å; I574-I592 HydrophobicContact CG2-CD1 4.38Å; I574-I592 HydrophobicContact CG2-CG2 3.72Å; L584-I592 HydrophobicContact CD1-CD1 4.12Å; L584-I592 HydrophobicContact CD2-CD1 4.27Å; D588-I592 WeakPolarHBondContact O-CG1 3.34Å; D588-I592 PolarHBondContact O-N 3.08Å; D588-I592 VanDerWaalsContact O-N 3.15Å; K589-I592 PolarHBondContact O-N 2.94Å; I592-K594 VanDerWaalsContact C-N 3.32Å; I592-K594 PolarHBondContact O-N 2.84Å; I592-A595 PolarHBondContact O-N 2.9Å; I592-V596 HydrophobicContact CG2-CG2 4.09Å; I592-V596 WeakPolarHBondContact O-CB 3.43Å; I592-V596 VanDerWaalsContact O-CG2 3.31Å; I592-V596 WeakPolarHBondContact O-CG2 3.18Å; I592-V596 PolarHBondContact O-N 3.15Å; I592-V625 HydrophobicContact CG1-CG2 4.32Å; I592-V625 HydrophobicContact CG2-CG2 4.15Å; I592-I628 HydrophobicContact CD1-CB 4.21Å; I592-I628 HydrophobicContact CD1-CD1 4.11Å; I592-I628 HydrophobicContact CD1-CG2 3.75Å; I592-I628 HydrophobicContact CG1-CD1 3.7Å
593	E	92.3	Very high	91.6	Very high	74 Å²	74	67 Å²	67	35%	0.346	33%	0.329	S	S	.	.	H	α-helix	trans	-56.1	-48.6	179	-77.2	178.5	171.1	0	0	110.9	I574 K589 E590 A595 V596 E597	I574-E593 HydrophobicContact CD1-CB 4.31Å; I574-E593 HydrophobicContact CD1-CG 3.42Å; I574-E593 VanDerWaalsContact CD1-CG 3.42Å; I574-E593 HydrophobicContact CG1-CG 4.08Å; K589-E593 WeakPolarHBondContact CE-OE1 3.37Å; K589-E593 HydrophobicContact CG-CG 4.44Å; K589-E593 IonicContact NZ-OE1 2.74Å; K589-E593 WeakPolarHBondContact O-CG 3.29Å; K589-E593 PolarHBondContact O-N 2.86Å; E590-E593 PolarHBondContact O-N 3.23Å; E593-A595 PolarHBondContact O-N 3.45Å; E593-V596 PolarHBondContact O-N 3.03Å; E593-E597 WeakPolarHBondContact O-CG 3.36Å; E593-E597 PolarHBondContact O-N 3.1Å
594	K	94.4	Very high	91.7	Very high	131 Å²	131	66.6 Å²	66.6	57%	0.57	33%	0.329	S	S	*	.	H	α-helix	trans	-60.9	-46.6	177.6	-173.2	-179.9	178.2	-171.3	0	112.5	E590 I592 V596 E597 E598	E590-K594 VanDerWaalsContact O-CB 3.31Å; E590-K594 WeakPolarHBondContact O-CB 3.48Å; E590-K594 PolarHBondContact O-N 2.86Å; I592-K594 VanDerWaalsContact C-N 3.32Å; I592-K594 PolarHBondContact O-N 2.84Å; K594-V596 VanDerWaalsContact C-N 3.32Å; K594-V596 PolarHBondContact O-N 3.18Å; K594-E597 PolarHBondContact O-N 3.1Å; K594-E598 WeakPolarHBondContact CE-OE1 3.5Å; K594-E598 HydrophobicContact CG-CG 4.49Å; K594-E598 WeakPolarHBondContact O-CB 3.47Å; K594-E598 VanDerWaalsContact O-CG 3.3Å; K594-E598 WeakPolarHBondContact O-CG 3.14Å; K594-E598 PolarHBondContact O-N 3.39Å
595	A	94.2	Very high	91.8	Very high	11 Å²	11	69.6 Å²	69.6	9%	0.091	35%	0.351	C	S	.	.	H	α-helix	trans	-63.6	-38.5	179.9	0	0	0	0	0	112.2	A591 I592 E593 K599 L621 V624	A591-A595 WeakPolarHBondContact O-CB 3.28Å; A591-A595 PolarHBondContact O-N 3.39Å; A591-A595 VanDerWaalsContact O-N 3.16Å; I592-A595 PolarHBondContact O-N 2.9Å; E593-A595 PolarHBondContact O-N 3.45Å; A595-K599 WeakPolarHBondContact O-CG 3.16Å; A595-K599 PolarHBondContact O-N 3.02Å; A595-K599 VanDerWaalsContact O-N 3.16Å; A595-L621 HydrophobicContact CB-CD1 3.87Å; A595-V624 HydrophobicContact CB-CB 4.42Å; A595-V624 HydrophobicContact CB-CG1 4Å
596	V	93.8	Very high	91.8	Very high	1 Å²	1	70.7 Å²	70.7	1%	0.006	35%	0.35	C	S	.	.	H	α-helix	trans	-66.3	-47.6	176.2	167.6	0	0	0	0	111	A567 L570 K571 I592 E593 K594 K599 I600 L621	A567-V596 HydrophobicContact CB-CG1 4.38Å; A567-V596 WeakPolarHBondContact O-CG1 3.42Å; L570-V596 HydrophobicContact CB-CG2 3.83Å; L570-V596 HydrophobicContact CD1-CG2 4.23Å; K571-V596 HydrophobicContact CB-CG1 3.99Å; K571-V596 HydrophobicContact CG-CG1 4.45Å; I592-V596 HydrophobicContact CG2-CG2 4.09Å; I592-V596 WeakPolarHBondContact O-CB 3.43Å; I592-V596 VanDerWaalsContact O-CG2 3.31Å; I592-V596 WeakPolarHBondContact O-CG2 3.18Å; I592-V596 PolarHBondContact O-N 3.15Å; E593-V596 PolarHBondContact O-N 3.03Å; K594-V596 VanDerWaalsContact C-N 3.32Å; K594-V596 PolarHBondContact O-N 3.18Å; V596-K599 PolarHBondContact O-N 3.09Å; V596-I600 HydrophobicContact CG1-CD1 3.8Å; V596-I600 HydrophobicContact CG1-CG1 4.48Å; V596-I600 WeakPolarHBondContact O-CG1 3.31Å; V596-I600 PolarHBondContact O-N 3.49Å; V596-L621 HydrophobicContact CG2-CD1 4.08Å
597	E	93.8	Very high	91.4	Very high	101 Å²	101	69.3 Å²	69.3	47%	0.472	34%	0.339	S	S	.	.	H	α-helix	trans	-62.2	-44.3	178.7	-73.4	-177.5	168.6	0	0	111.8	E593 K594 K599 I600 E601	E593-E597 WeakPolarHBondContact O-CG 3.36Å; E593-E597 PolarHBondContact O-N 3.1Å; K594-E597 PolarHBondContact O-N 3.1Å; E597-K599 VanDerWaalsContact C-N 3.28Å; E597-K599 PolarHBondContact O-N 2.75Å; E597-I600 PolarHBondContact O-N 3.11Å; E597-I600 VanDerWaalsContact O-N 3.14Å; E597-E601 WeakPolarHBondContact O-CG 3.49Å; E597-E601 PolarHBondContact O-N 2.71Å
598	E	94.9	Very high	90.9	Very high	93 Å²	93	67.8 Å²	67.8	44%	0.435	34%	0.336	S	S	.	.	H	α-helix	trans	-57.5	-39.6	174.5	-76.3	177.6	-177.8	0	0	112.3	K594 W602	K594-E598 WeakPolarHBondContact CE-OE1 3.5Å; K594-E598 HydrophobicContact CG-CG 4.49Å; K594-E598 WeakPolarHBondContact O-CB 3.47Å; K594-E598 VanDerWaalsContact O-CG 3.3Å; K594-E598 WeakPolarHBondContact O-CG 3.14Å; K594-E598 PolarHBondContact O-N 3.39Å; E598-W602 WeakPolarHBondContact O-CB 3.37Å; E598-W602 PolarHBondContact O-N 2.78Å
599	K	94.5	Very high	90.7	Very high	21 Å²	21	66.1 Å²	66.1	9%	0.091	33%	0.329	C	S	.	.	H	α-helix	trans	-71.9	-36.9	176.9	-67.6	-30.4	-178.1	-149.6	0	112.5	A595 V596 E597 W602 M603 K617 E620 L621	A595-K599 WeakPolarHBondContact O-CG 3.16Å; A595-K599 PolarHBondContact O-N 3.02Å; A595-K599 VanDerWaalsContact O-N 3.16Å; V596-K599 PolarHBondContact O-N 3.09Å; E597-K599 VanDerWaalsContact C-N 3.28Å; E597-K599 PolarHBondContact O-N 2.75Å; K599-W602 PolarHBondContact O-N 2.96Å; K599-M603 WeakPolarHBondContact O-CG 3.5Å; K599-M603 PolarHBondContact O-N 2.85Å; K599-K617 HydrophobicContact CD-CB 4.43Å; K599-K617 HydrophobicContact CD-CD 4.1Å; K599-K617 WeakPolarHBondContact CE-O 3.36Å; K599-E620 IonicContact NZ-OE2 3.69Å; K599-E620 PolarHBondContact NZ-OE2 3.4Å; K599-L621 HydrophobicContact CB-CD2 4.48Å; K599-L621 HydrophobicContact CG-CB 4.09Å; K599-L621 HydrophobicContact CG-CD1 4.39Å; K599-L621 HydrophobicContact CG-CD2 4.14Å; K599-L621 HydrophobicContact CG-CG 4.44Å
600	I	91.4	Very high	90.7	Very high	13 Å²	13	67.9 Å²	67.9	7%	0.067	34%	0.34	C	S	.	.	H	α-helix	trans	-63.7	-50.1	175.8	-68.3	169.9	0	0	0	110.2	A567 Y568 K571 V596 E597 W602 M603 E604	A567-I600 HydrophobicContact CB-CG1 4.15Å; Y568-I600 HydrophobicContact CE1-CD1 4.3Å; Y568-I600 HydrophobicContact CE2-CD1 4.48Å; K571-I600 HydrophobicContact CD-CD1 4.15Å; V596-I600 HydrophobicContact CG1-CD1 3.8Å; V596-I600 HydrophobicContact CG1-CG1 4.48Å; V596-I600 WeakPolarHBondContact O-CG1 3.31Å; V596-I600 PolarHBondContact O-N 3.49Å; E597-I600 PolarHBondContact O-N 3.11Å; E597-I600 VanDerWaalsContact O-N 3.14Å; I600-W602 VanDerWaalsContact C-N 3.29Å; I600-W602 PolarHBondContact O-N 2.89Å; I600-M603 HydrophobicContact CB-CE 4.5Å; I600-M603 HydrophobicContact CG1-CE 4.12Å; I600-M603 PolarHBondContact O-N 2.74Å; I600-M603 VanDerWaalsContact O-N 3.17Å; I600-E604 WeakPolarHBondContact O-CG 3.44Å; I600-E604 PolarHBondContact O-N 2.75Å
601	E	93.8	Very high	90.6	Very high	127 Å²	127	62.8 Å²	62.8	59%	0.593	32%	0.317	S	S	*	.	H	α-helix	trans	-61	-38.5	176.8	-70.8	-176.8	173.3	0	0	112.1	E597 E604 S605	E597-E601 WeakPolarHBondContact O-CG 3.49Å; E597-E601 PolarHBondContact O-N 2.71Å; E601-E604 PolarHBondContact O-N 3.38Å; E601-S605 PolarHBondContact O-N 2.88Å; E601-S605 VanDerWaalsContact O-N 3.15Å; E601-S605 PolarHBondContact O-OG 2.84Å
602	W	94.8	Very high	90.7	Very high	40 Å²	40	66.3 Å²	66.3	15%	0.152	33%	0.326	C	S	.	.	H	α-helix	trans	-62.3	-46.2	174.9	-177.1	85.8	0	0	0	111.4	L563 E598 K599 I600 E604 S605 H606 A609 D613 F614 K617	L563-W602 HydrophobicContact CD2-CZ3 4.32Å; E598-W602 WeakPolarHBondContact O-CB 3.37Å; E598-W602 PolarHBondContact O-N 2.78Å; K599-W602 PolarHBondContact O-N 2.96Å; I600-W602 VanDerWaalsContact C-N 3.29Å; I600-W602 PolarHBondContact O-N 2.89Å; W602-E604 VanDerWaalsContact C-N 3.32Å; W602-E604 PolarHBondContact O-N 2.79Å; W602-S605 PolarHBondContact O-N 3.44Å; W602-S605 PolarHBondContact O-OG 2.55Å; W602-S605 VanDerWaalsContact O-OG 3.08Å; W602-H606 AromaticContact CD1-CE1 3.52Å; W602-H606 AromaticContact CD1-ND1 3.46Å; W602-H606 HydrophobicContact CD2-CB 4.21Å; W602-H606 AromaticContact CE2-CD2 3.98Å; W602-H606 AromaticContact CE2-CG 3.65Å; W602-H606 AromaticContact CE2-ND1 3.9Å; W602-H606 HydrophobicContact CE3-CB 4.49Å; W602-H606 AromaticContact CG-ND1 3.87Å; W602-H606 HydrophobicContact CH2-CB 4.14Å; W602-H606 HydrophobicContact CZ2-CB 3.83Å; W602-H606 AromaticContact CZ2-CG 3.98Å; W602-H606 HydrophobicContact CZ3-CB 4.45Å; W602-H606 AromaticContact NE1-CD2 3.61Å; W602-H606 AromaticContact NE1-CE1 3.52Å; W602-H606 AromaticContact NE1-CG 3.53Å; W602-H606 AromaticContact NE1-ND1 3.46Å; W602-H606 PolarHBondContact NE1-ND1 2.99Å; W602-H606 AromaticContact NE1-NE2 3.59Å; W602-H606 VanDerWaalsContact O-CB 3.31Å; W602-H606 WeakPolarHBondContact O-CB 3.45Å; W602-H606 PolarHBondContact O-N 3.18Å; W602-H606 PolarHBondContact O-ND1 3.13Å; W602-A609 HydrophobicContact CH2-CB 3.62Å; W602-A609 HydrophobicContact CZ2-CB 4.03Å; W602-D613 HydrophobicContact CH2-CB 4Å; W602-D613 HydrophobicContact CZ2-CB 4.18Å; W602-F614 HydrophobicContact CH2-CD1 4.02Å; W602-F614 HydrophobicContact CH2-CE1 4.02Å; W602-F614 AromaticContact CZ3-CD1 3.61Å; W602-F614 HydrophobicContact CZ3-CD1 3.61Å; W602-F614 AromaticContact CZ3-CE1 3.61Å; W602-F614 HydrophobicContact CZ3-CE1 3.61Å; W602-K617 HydrophobicContact CD2-CD 3.94Å; W602-K617 HydrophobicContact CD2-CG 3.92Å; W602-K617 HydrophobicContact CE3-CB 4.32Å; W602-K617 HydrophobicContact CE3-CD 4.26Å; W602-K617 HydrophobicContact CE3-CG 3.82Å; W602-K617 HydrophobicContact CG-CD 4.3Å; W602-K617 HydrophobicContact CH2-CG 3.78Å; W602-K617 HydrophobicContact CZ2-CD 4.41Å; W602-K617 HydrophobicContact CZ2-CG 3.88Å; W602-K617 HydrophobicContact CZ3-CB 4.2Å; W602-K617 HydrophobicContact CZ3-CG 3.75Å
603	M	90.7	Very high	90.8	Very high	14 Å²	14	69.8 Å²	69.8	7%	0.069	35%	0.345	C	S	.	.	H	α-helix	trans	-63.4	-35	177.2	-74.6	-175.6	-66.3	0	0	113.2	L563 E564 A567 K599 I600 S605	L563-M603 HydrophobicContact CB-SD 4.1Å; L563-M603 HydrophobicContact CD2-CG 3.75Å; L563-M603 HydrophobicContact CD2-SD 3.65Å; L563-M603 HydrophobicContact CG-CE 4.3Å; L563-M603 HydrophobicContact CG-CG 4.3Å; L563-M603 HydrophobicContact CG-SD 3.53Å; L563-M603 VanDerWaalsContact CG-SD 3.53Å; E564-M603 HydrophobicContact CB-CE 4.26Å; E564-M603 HydrophobicContact CB-SD 3.93Å; A567-M603 HydrophobicContact CB-CE 4.28Å; K599-M603 WeakPolarHBondContact O-CG 3.5Å; K599-M603 PolarHBondContact O-N 2.85Å; I600-M603 HydrophobicContact CB-CE 4.5Å; I600-M603 HydrophobicContact CG1-CE 4.12Å; I600-M603 PolarHBondContact O-N 2.74Å; I600-M603 VanDerWaalsContact O-N 3.17Å; M603-S605 VanDerWaalsContact C-N 3.3Å; M603-S605 PolarHBondContact O-N 2.86Å
604	E	88.6	Confident	90.7	Very high	130 Å²	130	66.4 Å²	66.4	61%	0.607	33%	0.329	S	S	*	.	H	α-helix	trans	-66.2	-34	176.1	-72.7	179.2	176.5	0	0	112.2	I600 E601 W602	I600-E604 WeakPolarHBondContact O-CG 3.44Å; I600-E604 PolarHBondContact O-N 2.75Å; E601-E604 PolarHBondContact O-N 3.38Å; W602-E604 VanDerWaalsContact C-N 3.32Å; W602-E604 PolarHBondContact O-N 2.79Å
605	S	89.4	Confident	90.6	Very high	79 Å²	79	65.3 Å²	65.3	55%	0.552	33%	0.326	S	S	*	.	H	α-helix	trans	-93.3	-12.8	-178.4	51.6	0	0	0	0	114.6	E601 W602 M603	E601-S605 PolarHBondContact O-N 2.88Å; E601-S605 VanDerWaalsContact O-N 3.15Å; E601-S605 PolarHBondContact O-OG 2.84Å; W602-S605 PolarHBondContact O-N 3.44Å; W602-S605 PolarHBondContact O-OG 2.55Å; W602-S605 VanDerWaalsContact O-OG 3.08Å; M603-S605 VanDerWaalsContact C-N 3.3Å; M603-S605 PolarHBondContact O-N 2.86Å
606	H	88.4	Confident	90.7	Very high	75 Å²	75	66.8 Å²	66.8	35%	0.347	34%	0.338	S	S	.	.			trans	-128.7	47.9	-176.2	-58.9	72.8	0	0	0	111.2	W602 D608 A609	W602-H606 AromaticContact CD1-CE1 3.52Å; W602-H606 AromaticContact CD1-ND1 3.46Å; W602-H606 HydrophobicContact CD2-CB 4.21Å; W602-H606 AromaticContact CE2-CD2 3.98Å; W602-H606 AromaticContact CE2-CG 3.65Å; W602-H606 AromaticContact CE2-ND1 3.9Å; W602-H606 HydrophobicContact CE3-CB 4.49Å; W602-H606 AromaticContact CG-ND1 3.87Å; W602-H606 HydrophobicContact CH2-CB 4.14Å; W602-H606 HydrophobicContact CZ2-CB 3.83Å; W602-H606 AromaticContact CZ2-CG 3.98Å; W602-H606 HydrophobicContact CZ3-CB 4.45Å; W602-H606 AromaticContact NE1-CD2 3.61Å; W602-H606 AromaticContact NE1-CE1 3.52Å; W602-H606 AromaticContact NE1-CG 3.53Å; W602-H606 AromaticContact NE1-ND1 3.46Å; W602-H606 PolarHBondContact NE1-ND1 2.99Å; W602-H606 AromaticContact NE1-NE2 3.59Å; W602-H606 VanDerWaalsContact O-CB 3.31Å; W602-H606 WeakPolarHBondContact O-CB 3.45Å; W602-H606 PolarHBondContact O-N 3.18Å; W602-H606 PolarHBondContact O-ND1 3.13Å; H606-D608 PolarHBondContact O-N 2.9Å; H606-D608 VanDerWaalsContact O-N 3.11Å; H606-A609 HydrophobicContact CB-CB 4.14Å; H606-A609 WeakPolarHBondContact O-CB 3.4Å; H606-A609 PolarHBondContact O-N 2.86Å
607	Q	79.7	Confident	90.8	Very high	116 Å²	116	68.8 Å²	68.8	54%	0.542	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-25.8	179	-67.4	-106.1	-54	0	0	112.9
608	D	79.7	Confident	90.8	Very high	128 Å²	128	66.2 Å²	66.2	68%	0.684	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	7.5	-175.4	61.5	-34.5	0	0	0	114.3	R556 H606	R556-D608 VanDerWaalsContact NH1-C 3.29Å; R556-D608 PolarHBondContact NH1-O 3.26Å; H606-D608 PolarHBondContact O-N 2.9Å; H606-D608 VanDerWaalsContact O-N 3.11Å
609	A	87	Confident	90.8	Very high	10 Å²	10	67.6 Å²	67.6	8%	0.083	34%	0.338	C	S	.	.			trans	-55.4	158.2	174.5	0	0	0	0	0	112.6	R556 W602 H606 D613 F614	R556-A609 VanDerWaalsContact CD-O 3.23Å; R556-A609 WeakPolarHBondContact CD-O 3.34Å; R556-A609 PolarHBondContact NH1-O 2.77Å; W602-A609 HydrophobicContact CH2-CB 3.62Å; W602-A609 HydrophobicContact CZ2-CB 4.03Å; H606-A609 HydrophobicContact CB-CB 4.14Å; H606-A609 WeakPolarHBondContact O-CB 3.4Å; H606-A609 PolarHBondContact O-N 2.86Å; A609-D613 HydrophobicContact CB-CB 3.96Å; A609-F614 HydrophobicContact CB-CE1 4.28Å; A609-F614 HydrophobicContact CB-CE2 4.01Å; A609-F614 HydrophobicContact CB-CZ 3.85Å; A609-F614 VanDerWaalsContact O-CE2 3.29Å; A609-F614 WeakPolarHBondContact O-CE2 3.37Å
610	D	88.3	Confident	90.8	Very high	76 Å²	76	70 Å²	70	41%	0.406	35%	0.35	S	S	.	.			trans	-79.4	173.8	178.9	66	20.9	0	0	0	112.5	E612 D613 F614	D610-E612 VanDerWaalsContact C-N 3.31Å; D610-E612 PolarHBondContact O-N 2.72Å; D610-E612 PolarHBondContact OD1-N 3.41Å; D610-D613 PolarHBondContact O-N 2.94Å; D610-D613 WeakPolarHBondContact OD1-CB 3.41Å; D610-D613 PolarHBondContact OD1-N 3.32Å; D610-F614 WeakPolarHBondContact O-CD2 3.31Å; D610-F614 PolarHBondContact O-N 2.98Å
611	L	89.1	Confident	91	Very high	34 Å²	34	69.4 Å²	69.4	18%	0.178	35%	0.347	C	S	.	.	H	α-helix	trans	-61.3	-44	-179	171.9	63.3	0	0	0	110.9	E555 A559 D613 F614 Q615	E555-L611 HydrophobicContact CB-CD1 4.47Å; E555-L611 HydrophobicContact CB-CD2 4.29Å; E555-L611 WeakPolarHBondContact O-CD1 3.39Å; A559-L611 HydrophobicContact CB-CD1 3.43Å; A559-L611 VanDerWaalsContact CB-CD1 3.43Å; L611-D613 VanDerWaalsContact C-N 3.33Å; L611-D613 PolarHBondContact O-N 3.27Å; L611-F614 PolarHBondContact O-N 2.73Å; L611-Q615 HydrophobicContact CD1-CG 4.27Å; L611-Q615 WeakPolarHBondContact O-CG 3.25Å; L611-Q615 PolarHBondContact O-N 2.89Å
612	E	93.9	Very high	91	Very high	119 Å²	119	66 Å²	66	56%	0.556	33%	0.331	S	S	*	.	H	α-helix	trans	-62.2	-40	-178.1	-68.2	77.8	-175.6	0	0	111.7	D610 Q615 A616	D610-E612 VanDerWaalsContact C-N 3.31Å; D610-E612 PolarHBondContact O-N 2.72Å; D610-E612 PolarHBondContact OD1-N 3.41Å; E612-Q615 PolarHBondContact O-N 2.78Å; E612-A616 WeakPolarHBondContact O-CB 3.32Å; E612-A616 PolarHBondContact O-N 3.28Å
613	D	93.6	Very high	90.9	Very high	73 Å²	73	69.6 Å²	69.6	39%	0.39	35%	0.35	S	S	.	.	H	α-helix	trans	-64.4	-47.1	176.3	-79.4	-22.7	0	0	0	111.5	W602 A609 D610 L611 Q615 A616 K617	W602-D613 HydrophobicContact CH2-CB 4Å; W602-D613 HydrophobicContact CZ2-CB 4.18Å; A609-D613 HydrophobicContact CB-CB 3.96Å; D610-D613 PolarHBondContact O-N 2.94Å; D610-D613 WeakPolarHBondContact OD1-CB 3.41Å; D610-D613 PolarHBondContact OD1-N 3.32Å; L611-D613 VanDerWaalsContact C-N 3.33Å; L611-D613 PolarHBondContact O-N 3.27Å; D613-Q615 VanDerWaalsContact C-N 3.34Å; D613-Q615 PolarHBondContact O-N 2.77Å; D613-A616 PolarHBondContact O-N 3.45Å; D613-K617 WeakPolarHBondContact O-CB 3.39Å; D613-K617 WeakPolarHBondContact O-CG 3.38Å; D613-K617 PolarHBondContact O-N 2.86Å
614	F	91.2	Very high	91	Very high	2 Å²	2	71.9 Å²	71.9	1%	0.009	36%	0.364	C	S	.	.	H	α-helix	trans	-61.8	-43	176.8	-72.5	-57.1	0	0	0	111.8	R556 A559 R560 L563 W602 A609 D610 L611 K617 K618	R556-F614 HydrophobicContact CG-CD2 4.05Å; R556-F614 HydrophobicContact CG-CE2 3.94Å; A559-F614 HydrophobicContact CB-CB 4.01Å; R560-F614 HydrophobicContact CB-CD1 3.99Å; R560-F614 HydrophobicContact CB-CD2 4.05Å; R560-F614 HydrophobicContact CB-CE1 3.91Å; R560-F614 HydrophobicContact CB-CE2 3.93Å; R560-F614 HydrophobicContact CB-CG 4.1Å; R560-F614 HydrophobicContact CB-CZ 3.88Å; R560-F614 HydrophobicContact CG-CD1 4.06Å; R560-F614 HydrophobicContact CG-CE1 3.6Å; R560-F614 HydrophobicContact CG-CE2 4.32Å; R560-F614 HydrophobicContact CG-CZ 3.74Å; L563-F614 HydrophobicContact CD2-CD1 4.15Å; W602-F614 HydrophobicContact CH2-CD1 4.02Å; W602-F614 HydrophobicContact CH2-CE1 4.02Å; W602-F614 AromaticContact CZ3-CD1 3.61Å; W602-F614 HydrophobicContact CZ3-CD1 3.61Å; W602-F614 AromaticContact CZ3-CE1 3.61Å; W602-F614 HydrophobicContact CZ3-CE1 3.61Å; A609-F614 HydrophobicContact CB-CE1 4.28Å; A609-F614 HydrophobicContact CB-CE2 4.01Å; A609-F614 HydrophobicContact CB-CZ 3.85Å; A609-F614 VanDerWaalsContact O-CE2 3.29Å; A609-F614 WeakPolarHBondContact O-CE2 3.37Å; D610-F614 WeakPolarHBondContact O-CD2 3.31Å; D610-F614 PolarHBondContact O-N 2.98Å; L611-F614 PolarHBondContact O-N 2.73Å; F614-K617 PolarHBondContact O-N 2.72Å; F614-K618 WeakPolarHBondContact O-CB 3.09Å; F614-K618 PolarHBondContact O-N 2.86Å
615	Q	92.6	Very high	91.1	Very high	108 Å²	108	65.7 Å²	65.7	51%	0.505	34%	0.335	S	S	.	.	H	α-helix	trans	-65	-42	176.3	-71.7	-179.9	-4.3	0	0	112.1	A559 L611 E612 D613 K618 K619	A559-Q615 HydrophobicContact CB-CG 4.39Å; L611-Q615 HydrophobicContact CD1-CG 4.27Å; L611-Q615 WeakPolarHBondContact O-CG 3.25Å; L611-Q615 PolarHBondContact O-N 2.89Å; E612-Q615 PolarHBondContact O-N 2.78Å; D613-Q615 VanDerWaalsContact C-N 3.34Å; D613-Q615 PolarHBondContact O-N 2.77Å; Q615-K618 PolarHBondContact O-N 2.63Å; Q615-K619 WeakPolarHBondContact O-CB 3.48Å; Q615-K619 PolarHBondContact O-N 2.66Å
616	A	95.3	Very high	91.2	Very high	43 Å²	43	67.1 Å²	67.1	36%	0.355	33%	0.333	S	S	.	.	H	α-helix	trans	-63.1	-44.9	176.5	0	0	0	0	0	111.1	E612 D613 K618 K619 E620	E612-A616 WeakPolarHBondContact O-CB 3.32Å; E612-A616 PolarHBondContact O-N 3.28Å; D613-A616 PolarHBondContact O-N 3.45Å; A616-K618 VanDerWaalsContact C-N 3.34Å; A616-K618 PolarHBondContact O-N 2.94Å; A616-K619 PolarHBondContact O-N 2.84Å; A616-E620 WeakPolarHBondContact O-CG 3.15Å; A616-E620 PolarHBondContact O-N 2.79Å
617	K	95.6	Very high	91.3	Very high	42 Å²	42	66.7 Å²	66.7	18%	0.183	34%	0.337	C	S	.	.	H	α-helix	trans	-65.5	-36	178.4	-69.3	-73.3	165.3	-129.5	0	112.7	L563 K599 W602 D613 F614 E620 L621	L563-K617 HydrophobicContact CD2-CB 3.83Å; K599-K617 HydrophobicContact CD-CB 4.43Å; K599-K617 HydrophobicContact CD-CD 4.1Å; K599-K617 WeakPolarHBondContact CE-O 3.36Å; W602-K617 HydrophobicContact CD2-CD 3.94Å; W602-K617 HydrophobicContact CD2-CG 3.92Å; W602-K617 HydrophobicContact CE3-CB 4.32Å; W602-K617 HydrophobicContact CE3-CD 4.26Å; W602-K617 HydrophobicContact CE3-CG 3.82Å; W602-K617 HydrophobicContact CG-CD 4.3Å; W602-K617 HydrophobicContact CH2-CG 3.78Å; W602-K617 HydrophobicContact CZ2-CD 4.41Å; W602-K617 HydrophobicContact CZ2-CG 3.88Å; W602-K617 HydrophobicContact CZ3-CB 4.2Å; W602-K617 HydrophobicContact CZ3-CG 3.75Å; D613-K617 WeakPolarHBondContact O-CB 3.39Å; D613-K617 WeakPolarHBondContact O-CG 3.38Å; D613-K617 PolarHBondContact O-N 2.86Å; F614-K617 PolarHBondContact O-N 2.72Å; K617-E620 VanDerWaalsContact NZ-CD 3.26Å; K617-E620 IonicContact NZ-OE1 2.71Å; K617-E620 PolarHBondContact NZ-OE1 2.93Å; K617-E620 IonicContact NZ-OE2 3.56Å; K617-E620 PolarHBondContact NZ-OE2 2.77Å; K617-L621 PolarHBondContact O-N 2.91Å; K617-L621 VanDerWaalsContact O-N 3.1Å
618	K	93.7	Very high	91.7	Very high	47 Å²	47	61.9 Å²	61.9	20%	0.204	32%	0.315	C	S	.	.	H	α-helix	trans	-62.7	-48	170.8	-173.6	-176.3	177	-171.8	0	111.2	E562 L563 Y566 F614 Q615 A616 E620 L621 E622	E562-K618 IonicContact OE2-NZ 3.29Å; E562-K618 PolarHBondContact OE2-NZ 2.84Å; L563-K618 HydrophobicContact CB-CB 4.43Å; L563-K618 HydrophobicContact CD1-CB 3.91Å; L563-K618 HydrophobicContact CD1-CG 4.43Å; Y566-K618 HydrophobicContact CD1-CG 4.4Å; F614-K618 WeakPolarHBondContact O-CB 3.09Å; F614-K618 PolarHBondContact O-N 2.86Å; Q615-K618 PolarHBondContact O-N 2.63Å; A616-K618 VanDerWaalsContact C-N 3.34Å; A616-K618 PolarHBondContact O-N 2.94Å; K618-E620 PolarHBondContact O-N 3.33Å; K618-L621 WeakPolarHBondContact O-CB 3.26Å; K618-L621 PolarHBondContact O-N 3.07Å; K618-L621 VanDerWaalsContact O-N 3.15Å; K618-E622 WeakPolarHBondContact CE-OE1 2.85Å; K618-E622 WeakPolarHBondContact O-CG 3.29Å; K618-E622 PolarHBondContact O-N 3.21Å
619	K	95.1	Very high	91.9	Very high	122 Å²	122	57.7 Å²	57.7	53%	0.53	29%	0.292	S	S	.	.	H	α-helix	trans	-62.6	-42.2	178.2	-168.7	-178.4	178.9	-169.1	0	112.3	Q615 A616 L621 E622 E623	Q615-K619 WeakPolarHBondContact O-CB 3.48Å; Q615-K619 PolarHBondContact O-N 2.66Å; A616-K619 PolarHBondContact O-N 2.84Å; K619-L621 VanDerWaalsContact C-N 3.28Å; K619-L621 PolarHBondContact O-N 2.88Å; K619-E622 PolarHBondContact O-N 3.4Å; K619-E623 VanDerWaalsContact CE-OE1 3.25Å; K619-E623 WeakPolarHBondContact CE-OE1 3.34Å; K619-E623 HydrophobicContact CG-CG 4.47Å; K619-E623 IonicContact NZ-OE1 3.78Å; K619-E623 WeakPolarHBondContact O-CB 3.5Å; K619-E623 VanDerWaalsContact O-CG 3.3Å; K619-E623 WeakPolarHBondContact O-CG 3.05Å; K619-E623 PolarHBondContact O-N 2.99Å
620	E	95.1	Very high	91.8	Very high	72 Å²	72	60.7 Å²	60.7	34%	0.336	31%	0.313	S	S	.	.	H	α-helix	trans	-56.8	-42.9	173.3	-75	172.9	-156.4	0	0	111.4	K599 A616 K617 K618 E623 V624	K599-E620 IonicContact NZ-OE2 3.69Å; K599-E620 PolarHBondContact NZ-OE2 3.4Å; A616-E620 WeakPolarHBondContact O-CG 3.15Å; A616-E620 PolarHBondContact O-N 2.79Å; K617-E620 VanDerWaalsContact NZ-CD 3.26Å; K617-E620 IonicContact NZ-OE1 2.71Å; K617-E620 PolarHBondContact NZ-OE1 2.93Å; K617-E620 IonicContact NZ-OE2 3.56Å; K617-E620 PolarHBondContact NZ-OE2 2.77Å; K618-E620 PolarHBondContact O-N 3.33Å; E620-E623 PolarHBondContact O-N 2.79Å; E620-V624 WeakPolarHBondContact O-CG2 3.21Å; E620-V624 PolarHBondContact O-N 2.92Å
621	L	94.7	Very high	91.4	Very high	1 Å²	1	63.5 Å²	63.5	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-67.5	-42.1	176.8	-177.4	58	0	0	0	111.7	L563 Y566 A567 L570 A595 V596 K599 K617 K618 K619 E623 V624 V625	L563-L621 HydrophobicContact CD1-CD2 4.4Å; Y566-L621 HydrophobicContact CD1-CD2 3.79Å; Y566-L621 HydrophobicContact CD1-CG 4.25Å; Y566-L621 HydrophobicContact CE1-CB 4.4Å; Y566-L621 HydrophobicContact CE1-CD2 3.97Å; Y566-L621 HydrophobicContact CE1-CG 3.91Å; A567-L621 HydrophobicContact CB-CD2 4.13Å; L570-L621 HydrophobicContact CD1-CD1 4.36Å; L570-L621 HydrophobicContact CD1-CD2 4.01Å; L570-L621 HydrophobicContact CD1-CG 4.06Å; A595-L621 HydrophobicContact CB-CD1 3.87Å; V596-L621 HydrophobicContact CG2-CD1 4.08Å; K599-L621 HydrophobicContact CB-CD2 4.48Å; K599-L621 HydrophobicContact CG-CB 4.09Å; K599-L621 HydrophobicContact CG-CD1 4.39Å; K599-L621 HydrophobicContact CG-CD2 4.14Å; K599-L621 HydrophobicContact CG-CG 4.44Å; K617-L621 PolarHBondContact O-N 2.91Å; K617-L621 VanDerWaalsContact O-N 3.1Å; K618-L621 WeakPolarHBondContact O-CB 3.26Å; K618-L621 PolarHBondContact O-N 3.07Å; K618-L621 VanDerWaalsContact O-N 3.15Å; K619-L621 VanDerWaalsContact C-N 3.28Å; K619-L621 PolarHBondContact O-N 2.88Å; L621-E623 VanDerWaalsContact C-N 3.34Å; L621-E623 PolarHBondContact O-N 2.88Å; L621-V624 PolarHBondContact O-N 3.25Å; L621-V625 HydrophobicContact CD1-CG2 3.98Å; L621-V625 HydrophobicContact CG-CG2 4.38Å; L621-V625 WeakPolarHBondContact O-CB 3.36Å; L621-V625 WeakPolarHBondContact O-CG2 3.44Å; L621-V625 PolarHBondContact O-N 3.19Å
622	E	93.9	Very high	90.6	Very high	54 Å²	54	63.5 Å²	63.5	25%	0.252	32%	0.321	S	S	.	.	H	α-helix	trans	-60.5	-41.4	174.4	-71.8	173.6	167.9	0	0	112.2	Y566 K618 K619 V624 V625 Q626	Y566-E622 HydrophobicContact CD1-CG 4.49Å; Y566-E622 HydrophobicContact CE1-CG 3.59Å; K618-E622 WeakPolarHBondContact CE-OE1 2.85Å; K618-E622 WeakPolarHBondContact O-CG 3.29Å; K618-E622 PolarHBondContact O-N 3.21Å; K619-E622 PolarHBondContact O-N 3.4Å; E622-V624 VanDerWaalsContact C-N 3.28Å; E622-V624 PolarHBondContact O-N 2.87Å; E622-V625 PolarHBondContact O-N 3Å; E622-Q626 VanDerWaalsContact O-CB 3.26Å; E622-Q626 WeakPolarHBondContact O-CB 3.19Å; E622-Q626 VanDerWaalsContact O-CG 3.31Å; E622-Q626 WeakPolarHBondContact O-CG 3.29Å; E622-Q626 PolarHBondContact O-N 3.48Å
623	E	94.1	Very high	89.4	Confident	117 Å²	117	65.4 Å²	65.4	55%	0.547	32%	0.324	S	S	.	.	H	α-helix	trans	-64.5	-30.1	179.4	-76.5	175.5	-177.1	0	0	112.9	K619 E620 L621 P627	K619-E623 VanDerWaalsContact CE-OE1 3.25Å; K619-E623 WeakPolarHBondContact CE-OE1 3.34Å; K619-E623 HydrophobicContact CG-CG 4.47Å; K619-E623 IonicContact NZ-OE1 3.78Å; K619-E623 WeakPolarHBondContact O-CB 3.5Å; K619-E623 VanDerWaalsContact O-CG 3.3Å; K619-E623 WeakPolarHBondContact O-CG 3.05Å; K619-E623 PolarHBondContact O-N 2.99Å; E620-E623 PolarHBondContact O-N 2.79Å; L621-E623 VanDerWaalsContact C-N 3.34Å; L621-E623 PolarHBondContact O-N 2.88Å; E623-P627 WeakPolarHBondContact O-CD 3.44Å; E623-P627 VanDerWaalsContact O-CG 3.31Å; E623-P627 WeakPolarHBondContact O-CG 3.38Å
624	V	92.4	Very high	87.8	Confident	61 Å²	61	65 Å²	65	37%	0.37	34%	0.337	S	S	.	.	H	α-helix	trans	-77.2	-44.3	172.9	176.1	0	0	0	0	111.2	A595 E620 L621 E622 I628	A595-V624 HydrophobicContact CB-CB 4.42Å; A595-V624 HydrophobicContact CB-CG1 4Å; E620-V624 WeakPolarHBondContact O-CG2 3.21Å; E620-V624 PolarHBondContact O-N 2.92Å; L621-V624 PolarHBondContact O-N 3.25Å; E622-V624 VanDerWaalsContact C-N 3.28Å; E622-V624 PolarHBondContact O-N 2.87Å; V624-I628 WeakPolarHBondContact O-CD1 3.33Å
625	V	91.2	Very high	85.9	Confident	1 Å²	1	70 Å²	70	1%	0.006	37%	0.372	C	S	.	.	H	α-helix	trans	-80.7	-41.4	-168.9	172.6	0	0	0	0	112.5	L570 I592 L621 E622 I628 I629	L570-V625 HydrophobicContact CD1-CB 4.47Å; L570-V625 HydrophobicContact CD1-CG1 4.21Å; L570-V625 HydrophobicContact CD1-CG2 3.78Å; L570-V625 HydrophobicContact CD2-CG1 3.72Å; I592-V625 HydrophobicContact CG1-CG2 4.32Å; I592-V625 HydrophobicContact CG2-CG2 4.15Å; L621-V625 HydrophobicContact CD1-CG2 3.98Å; L621-V625 HydrophobicContact CG-CG2 4.38Å; L621-V625 WeakPolarHBondContact O-CB 3.36Å; L621-V625 WeakPolarHBondContact O-CG2 3.44Å; L621-V625 PolarHBondContact O-N 3.19Å; E622-V625 PolarHBondContact O-N 3Å; V625-I628 PolarHBondContact O-N 3.27Å; V625-I629 HydrophobicContact CG1-CD1 3.37Å; V625-I629 HydrophobicContact CG1-CG1 3.94Å; V625-I629 WeakPolarHBondContact O-CG1 3.42Å; V625-I629 PolarHBondContact O-N 3.25Å
626	Q	90.8	Very high	83.6	Confident	109 Å²	109	68.5 Å²	68.5	51%	0.509	38%	0.378	S	S	.	.	H	α-helix	trans	-59	-45.9	-174.5	-77.2	-175.1	3.1	0	0	113.4	E622 I628 I629 S630	E622-Q626 VanDerWaalsContact O-CB 3.26Å; E622-Q626 WeakPolarHBondContact O-CB 3.19Å; E622-Q626 VanDerWaalsContact O-CG 3.31Å; E622-Q626 WeakPolarHBondContact O-CG 3.29Å; E622-Q626 PolarHBondContact O-N 3.48Å; Q626-I628 VanDerWaalsContact C-N 3.27Å; Q626-I628 PolarHBondContact O-N 3.42Å; Q626-I629 PolarHBondContact O-N 2.61Å; Q626-S630 WeakPolarHBondContact O-CB 3.4Å; Q626-S630 PolarHBondContact O-N 3.17Å; Q626-S630 PolarHBondContact O-OG 3.24Å
627	P	91.1	Very high	80.9	Confident	66 Å²	66	70 Å²	70	43%	0.429	40%	0.398	S	S	.	.	H	α-helix	trans	-61.5	-35.7	178.8	-24.1	35.2	0	0	0	113	E623 K631	E623-P627 WeakPolarHBondContact O-CD 3.44Å; E623-P627 VanDerWaalsContact O-CG 3.31Å; E623-P627 WeakPolarHBondContact O-CG 3.38Å; P627-K631 VanDerWaalsContact O-CG 3.29Å; P627-K631 WeakPolarHBondContact O-CG 3.36Å; P627-K631 PolarHBondContact O-N 2.83Å
628	I	87.3	Confident	78.1	Confident	15 Å²	15	70.7 Å²	70.7	8%	0.077	42%	0.418	C	S	.	.	H	α-helix	trans	-69.4	-51.1	-179.5	-63.6	173	0	0	0	110.2	L584 D588 A591 I592 V624 V625 Q626 S630 K631 L632	L584-I628 HydrophobicContact CD2-CG2 3.45Å; L584-I628 VanDerWaalsContact CD2-CG2 3.45Å; D588-I628 HydrophobicContact CB-CG2 3.64Å; A591-I628 HydrophobicContact CB-CD1 4.28Å; I592-I628 HydrophobicContact CD1-CB 4.21Å; I592-I628 HydrophobicContact CD1-CD1 4.11Å; I592-I628 HydrophobicContact CD1-CG2 3.75Å; I592-I628 HydrophobicContact CG1-CD1 3.7Å; V624-I628 WeakPolarHBondContact O-CD1 3.33Å; V625-I628 PolarHBondContact O-N 3.27Å; Q626-I628 VanDerWaalsContact C-N 3.27Å; Q626-I628 PolarHBondContact O-N 3.42Å; I628-S630 VanDerWaalsContact C-N 3.31Å; I628-S630 PolarHBondContact O-N 2.93Å; I628-K631 PolarHBondContact O-N 3.39Å; I628-L632 PolarHBondContact O-N 2.92Å
629	I	84.5	Confident	75.3	Confident	39 Å²	39	74.4 Å²	74.4	20%	0.2	45%	0.446	C	S	.	.	H	α-helix	trans	-63.1	-40.4	178.2	-62.5	-177.5	0	0	0	110.6	L580 V625 Q626 K631 L632 Y633	L580-I629 HydrophobicContact CD2-CD1 4.25Å; L580-I629 HydrophobicContact CD2-CG1 4.47Å; V625-I629 HydrophobicContact CG1-CD1 3.37Å; V625-I629 HydrophobicContact CG1-CG1 3.94Å; V625-I629 WeakPolarHBondContact O-CG1 3.42Å; V625-I629 PolarHBondContact O-N 3.25Å; Q626-I629 PolarHBondContact O-N 2.61Å; I629-K631 PolarHBondContact O-N 2.73Å; I629-L632 WeakPolarHBondContact O-CB 3.25Å; I629-L632 PolarHBondContact O-N 3.3Å; I629-L632 VanDerWaalsContact O-N 3.15Å; I629-Y633 HydrophobicContact CG2-CD2 3.8Å; I629-Y633 HydrophobicContact CG2-CE2 3.77Å; I629-Y633 WeakPolarHBondContact O-CD2 3.5Å; I629-Y633 PolarHBondContact O-N 3.19Å; I629-Y633 VanDerWaalsContact O-N 3.15Å
630	S	85.1	Confident	72.5	Confident	74 Å²	74	74 Å²	74	52%	0.517	46%	0.456	S	S	.	.	H	α-helix	trans	-64.9	-39.4	180	-58.1	0	0	0	0	112.8	Q626 I628 L632 Y633 G634	Q626-S630 WeakPolarHBondContact O-CB 3.4Å; Q626-S630 PolarHBondContact O-N 3.17Å; Q626-S630 PolarHBondContact O-OG 3.24Å; I628-S630 VanDerWaalsContact C-N 3.31Å; I628-S630 PolarHBondContact O-N 2.93Å; S630-L632 PolarHBondContact O-N 3.41Å; S630-Y633 PolarHBondContact O-N 3.1Å; S630-G634 PolarHBondContact O-N 2.79Å
631	K	80.1	Confident	69.6	Low	135 Å²	135	76.8 Å²	76.8	59%	0.587	48%	0.48	S	S	*	.	H	α-helix	trans	-59.4	-39.1	172.9	-79.1	172.9	-177.2	176.4	0	111.5	P627 I628 I629 G634 S635	P627-K631 VanDerWaalsContact O-CG 3.29Å; P627-K631 WeakPolarHBondContact O-CG 3.36Å; P627-K631 PolarHBondContact O-N 2.83Å; I628-K631 PolarHBondContact O-N 3.39Å; I629-K631 PolarHBondContact O-N 2.73Å; K631-G634 PolarHBondContact O-N 2.86Å; K631-S635 VanDerWaalsContact O-CB 3.29Å; K631-S635 WeakPolarHBondContact O-CB 3.36Å; K631-S635 PolarHBondContact O-N 3.47Å; K631-S635 PolarHBondContact O-OG 3.17Å
632	L	72.1	Confident	66.9	Low	33 Å²	33	86.2 Å²	86.2	17%	0.173	53%	0.525	C	S	.	.	H	α-helix	trans	-69.8	-38.4	-175.8	-156.9	143.3	0	0	0	112	L580 K583 L584 I628 I629 S630	L580-L632 HydrophobicContact CD1-CD1 4.33Å; L580-L632 HydrophobicContact CD1-CD2 4.33Å; K583-L632 HydrophobicContact CB-CD1 3.97Å; K583-L632 HydrophobicContact CB-CD2 3.77Å; K583-L632 HydrophobicContact CB-CG 4.23Å; K583-L632 HydrophobicContact CD-CD2 3.99Å; K583-L632 WeakPolarHBondContact O-CD1 3.48Å; L584-L632 HydrophobicContact CB-CD1 4.48Å; L584-L632 HydrophobicContact CD2-CD1 3.5Å; L584-L632 HydrophobicContact CG-CD1 3.86Å; I628-L632 PolarHBondContact O-N 2.92Å; I629-L632 WeakPolarHBondContact O-CB 3.25Å; I629-L632 PolarHBondContact O-N 3.3Å; I629-L632 VanDerWaalsContact O-N 3.15Å; S630-L632 PolarHBondContact O-N 3.41Å
633	Y	68.1	Low	64	Low	160 Å²	160	87.3 Å²	87.3	63%	0.627	55%	0.55	S	S	*	.	H	α-helix	trans	-79.8	-33.4	172.4	-76.8	-78	0	0	0	113.5	I629 S630 S635 A636	I629-Y633 HydrophobicContact CG2-CD2 3.8Å; I629-Y633 HydrophobicContact CG2-CE2 3.77Å; I629-Y633 WeakPolarHBondContact O-CD2 3.5Å; I629-Y633 PolarHBondContact O-N 3.19Å; I629-Y633 VanDerWaalsContact O-N 3.15Å; S630-Y633 PolarHBondContact O-N 3.1Å; Y633-S635 PolarHBondContact O-N 3Å; Y633-A636 PolarHBondContact O-N 3.13Å
634	G	59.2	Low	60.9	Low	64 Å²	64	86.3 Å²	86.3	66%	0.66	56%	0.562	S	S	*	*	H	α-helix	trans	-66.6	-25.7	173.6	0	0	0	0	0	113.5	S630 K631 A636	S630-G634 PolarHBondContact O-N 2.79Å; K631-G634 PolarHBondContact O-N 2.86Å; G634-A636 VanDerWaalsContact C-N 3.34Å
635	S	51.8	Low	57.9	Low	107 Å²	107	92.6 Å²	92.6	75%	0.748	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-7.9	175	-54.2	0	0	0	0	113.4	K631 Y633	K631-S635 VanDerWaalsContact O-CB 3.29Å; K631-S635 WeakPolarHBondContact O-CB 3.36Å; K631-S635 PolarHBondContact O-N 3.47Å; K631-S635 PolarHBondContact O-OG 3.17Å; Y633-S635 PolarHBondContact O-N 3Å
636	A	45.4	Very low	55.2	Low	76 Å²	76	101.9 Å²	101.9	63%	0.628	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	9.5	179.7	0	0	0	0	0	113.7	Y633 G634 G638	Y633-A636 PolarHBondContact O-N 3.13Å; G634-A636 VanDerWaalsContact C-N 3.34Å; A636-G638 PolarHBondContact O-N 3.45Å
637	G	38.1	Very low	52.3	Low	74 Å²	74	105.9 Å²	105.9	76%	0.763	65%	0.649	S	S	*	*			trans	-72.6	80.9	178.8	0	0	0	0	0	114
638	G	37.2	Very low	49.5	Very low	58 Å²	58	111.6 Å²	111.6	60%	0.598	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-89.5	150	153.4	0	0	0	0	0	110.4	A636	A636-G638 PolarHBondContact O-N 3.45Å
639	P	35	Very low	47.2	Very low	124 Å²	124	119.8 Å²	119.8	81%	0.805	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-63.4	153.2	-174.5	27.5	-33.1	0	0	0	111.9
640	P	35.3	Very low	44.8	Very low	115 Å²	115	126 Å²	126	75%	0.747	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-67.7	143.2	-179.1	28.1	-31.1	0	0	0	110.5	E642	P640-E642 PolarHBondContact O-N 3.07Å
641	P	34.3	Very low	42.6	Very low	129 Å²	129	130.8 Å²	130.8	84%	0.838	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-71.3	124.9	171.9	24.1	-21.6	0	0	0	109.4	G643	P641-G643 PolarHBondContact O-N 3.38Å
642	E	37.5	Very low	40.6	Very low	200 Å²	200	136.3 Å²	136.3	94%	0.935	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-63.7	125.5	167.5	-77.4	179.8	144.1	0	0	110.5	P640	P640-E642 PolarHBondContact O-N 3.07Å
643	G	32.8	Very low	39	Very low	76 Å²	76	141.5 Å²	141.5	78%	0.784	82%	0.818	S	S	*	*			trans	96.1	104	146.4	0	0	0	0	0	118.1	P641	P641-G643 PolarHBondContact O-N 3.38Å
644	A	29.1	Very low	37.5	Very low	96 Å²	96	140.5 Å²	140.5	79%	0.793	83%	0.828	S	S	*	*				-177	106	120.4	0	0	0	0	0	111.2
645	E	30.1	Very low	36.2	Very low	194 Å²	194	144.7 Å²	144.7	91%	0.907	84%	0.838	S	S	*	*			trans	54.2	120.3	142.5	-65.6	178.3	169.3	0	0	121.8
646	E	34.9	Very low	35.3	Very low	196 Å²	196	146.9 Å²	146.9	92%	0.916	84%	0.843	S	S	*	*			trans	-46.1	128	155.3	-67.4	170.2	136.6	0	0	111.6
647	Q	29.6	Very low	34.7	Very low	192 Å²	192	151.4 Å²	151.4	90%	0.897	86%	0.856	S	S	*	*			trans	-138.1	144.1	147.8	-109.8	179.9	11.1	0	0	110.3
648	E	32.5	Very low	34.5	Very low	187 Å²	187	156.5 Å²	156.5	87%	0.874	86%	0.862	S	S	*	*			trans	-67.1	158.1	-154.7	-73.1	163.4	126	0	0	115.3
649	K	38	Very low	34.3	Very low	186 Å²	186	163.6 Å²	163.6	81%	0.809	88%	0.881	S	S	*	*			trans	-24.3	135.6	151.8	-65.4	175.6	171.7	-173	0	113.4
650	D	35.7	Very low	34.2	Very low	169 Å²	169	166.6 Å²	166.6	90%	0.904	89%	0.887	S	S	*	*				-146.9	130.8	126.8	-102.3	-23.1	0	0	0	110.4
651	E	39.2	Very low	34.2	Very low	176 Å²	176	170.9 Å²	170.9	82%	0.822	90%	0.899	S	S	*	*			trans	-67.1	145.2	173.9	-64.3	173.1	159.2	0	0	110.2
652	L	36.4	Very low	34.1	Very low	250 Å²	250	174.7 Å²	174.7	100%	1.309	90%	0.904	S	S	*	*			trans	-167.3	0	134.3	-99.8	166.2	0	0	0	110.5

Retrieved 652 of 652 residues in 372.5 ms (Link to these results)

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