A0A0D9SBT6_CHLSB Loading...

Leucine rich repeat neuronal 1

AlphaFold DB , UniProt , Accession A0A0D9SBT6, Species CHLSB (Chlorocebus sabaeus, Green monkey), Gene LRRN1, Length 716 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	38	Very low	30.5	Very low	242 Å²	242	146.7 Å²	146.7	100%	1.192	84%	0.842	S	S	*	*				0	149.7	0	-159.5	-177.6	-68.8	0	0	106.9
2	A	30.2	Very low	30.5	Very low	89 Å²	89	150.6 Å²	150.6	74%	0.736	85%	0.847	S	S	*	*			trans	63.1	120.4	-146.5	0	0	0	0	0	111
3	R	25.6	Very low	31	Very low	229 Å²	229	151.4 Å²	151.4	86%	0.864	85%	0.846	S	S	*	*			cis	76.3	127.4	1.7	-130.8	-172.1	-161.2	-160.3	5.8	116.2
4	M	29.8	Very low	31.5	Very low	167 Å²	167	150.4 Å²	150.4	82%	0.823	85%	0.845	S	S	*	*			trans	70.3	138.6	172.2	-63.8	158.5	61.1	0	0	115.1
5	S	29.4	Very low	31.7	Very low	93 Å²	93	152 Å²	152	65%	0.65	85%	0.85	S	S	*	*			cis	-162.2	-178.1	-5.3	-104.4	0	0	0	0	111.1
6	F	28.1	Very low	31.8	Very low	206 Å²	206	147.3 Å²	147.3	90%	0.904	85%	0.846	S	S	*	*			trans	89.8	130.7	177.6	-59	-75.7	0	0	0	116.9
7	V	28.4	Very low	32	Very low	121 Å²	121	147.5 Å²	147.5	73%	0.733	84%	0.843	S	S	*	*			cis	-165	137.4	-35.7	116.8	0	0	0	0	107.5
8	V	32.3	Very low	32.3	Very low	142 Å²	142	148.6 Å²	148.6	86%	0.861	85%	0.845	S	S	*	*			trans	51.6	99.9	169.9	179.5	0	0	0	0	117.6
9	A	32.4	Very low	32.6	Very low	105 Å²	105	149.5 Å²	149.5	87%	0.868	84%	0.843	S	S	*	*			trans	-174.9	54.9	150.4	0	0	0	0	0	113.6
10	A	30.4	Very low	32.8	Very low	93 Å²	93	148.8 Å²	148.8	77%	0.769	84%	0.843	S	S	*	*	S	Bend	trans	-157	149.7	174.5	0	0	0	0	0	114.2
11	C	30.7	Very low	33	Very low	127 Å²	127	146.2 Å²	146.2	86%	0.858	83%	0.834	S	S	*	*	S	Bend	trans	62.3	51.6	162.2	-63.4	0	0	0	0	119.4
12	Q	31.2	Very low	33	Very low	193 Å²	193	141 Å²	141	90%	0.902	81%	0.81	S	S	*	*			trans	-139.1	72	150	-78.5	-161.6	-23.5	0	0	110.9
13	L	36	Very low	33.1	Very low	161 Å²	161	143.6 Å²	143.6	84%	0.843	82%	0.817	S	S	*	*			trans	-150	51	-174.4	-115.7	168.1	0	0	0	112.6
14	V	38.9	Very low	33.5	Very low	137 Å²	137	140.7 Å²	140.7	83%	0.83	81%	0.813	S	S	*	*	S	Bend	trans	-131.4	-20.9	-178.8	-175	0	0	0	0	113.8
15	L	33.7	Very low	33.6	Very low	175 Å²	175	137.6 Å²	137.6	92%	0.916	81%	0.808	S	S	*	*	S	Bend	trans	-130.6	106.3	170.6	-79.9	89.5	0	0	0	109.7
16	G	34.4	Very low	33.8	Very low	77 Å²	77	138.7 Å²	138.7	79%	0.794	82%	0.816	S	S	*	*			trans	151.4	46.9	176	0	0	0	0	0	116.3
17	L	33.9	Very low	34.2	Very low	150 Å²	150	135.8 Å²	135.8	79%	0.785	81%	0.808	S	S	*	*			trans	-152	55.7	167.6	-111.7	168.9	0	0	0	111.5
18	L	37.8	Very low	34.6	Very low	168 Å²	168	138.7 Å²	138.7	88%	0.88	81%	0.813	S	S	*	*			trans	-108.8	146.2	158.9	-87.3	162.2	0	0	0	107.3
19	M	38.3	Very low	35	Very low	166 Å²	166	139 Å²	139	82%	0.818	81%	0.811	S	S	*	*			trans	74	69	-179.5	-52.7	-62.4	-71.3	0	0	117.3
20	T	37.4	Very low	36.1	Very low	135 Å²	135	137.2 Å²	137.2	83%	0.828	79%	0.792	S	S	*	*			trans	-139.2	92.6	135.8	30.3	0	0	0	0	109.4
21	S	36.7	Very low	38	Very low	94 Å²	94	139.5 Å²	139.5	66%	0.657	79%	0.786	S	S	*	*			trans	-93.6	160.8	170.5	50.2	0	0	0	0	111.1
22	L	37.6	Very low	40.6	Very low	133 Å²	133	135.8 Å²	135.8	70%	0.696	76%	0.761	S	S	*	*			trans	66.7	87.7	169.3	-53.2	176.2	0	0	0	117.1	E24	L22-E24 HydrophobicContact CD2-CG 4.07Å
23	T	31.3	Very low	43.3	Very low	143 Å²	143	127.3 Å²	127.3	88%	0.877	72%	0.723	S	S	*	*				-123.2	100.3	124.9	50.8	0	0	0	0	108	S25	T23-S25 PolarHBondContact O-N 2.74Å
24	E	35.2	Very low	45.5	Very low	169 Å²	169	128.9 Å²	128.9	79%	0.79	73%	0.726	S	S	*	*			trans	-75.4	107.5	174.8	-68.1	172	116.2	0	0	109.8	L22	L22-E24 HydrophobicContact CD2-CG 4.07Å
25	S	30.6	Very low	47.8	Very low	102 Å²	102	128.3 Å²	128.3	71%	0.713	72%	0.718	S	S	*	*			trans	-94.2	93.8	154.8	57.5	0	0	0	0	107.4	T23 I27	T23-S25 PolarHBondContact O-N 2.74Å; S25-I27 PolarHBondContact O-N 2.88Å
26	S	35.5	Very low	50.6	Low	115 Å²	115	120.7 Å²	120.7	80%	0.804	68%	0.679	S	S	*	*			trans	-69.1	86.5	-176.4	58.3	0	0	0	0	112
27	I	35.7	Very low	53.5	Low	145 Å²	145	120.7 Å²	120.7	74%	0.744	66%	0.663	S	S	*	*			trans	-87.5	122	161.3	-57.7	177.6	0	0	0	106.2	S25 N29	S25-I27 PolarHBondContact O-N 2.88Å; I27-N29 PolarHBondContact O-N 2.75Å
28	Q	36.7	Very low	56.3	Low	182 Å²	182	116.1 Å²	116.1	85%	0.85	64%	0.643	S	S	*	*			trans	-69.8	120.3	177.1	-69.8	174.6	-100.8	0	0	108.9	S30	Q28-S30 VanDerWaalsContact C-N 3.29Å; Q28-S30 PolarHBondContact O-N 3.28Å
29	N	40.4	Very low	59	Low	150 Å²	150	112.6 Å²	112.6	80%	0.802	62%	0.622	S	S	*	*			trans	-66.7	92	164.6	-81.7	-2	0	0	0	108.6	I27 E31	I27-N29 PolarHBondContact O-N 2.75Å; N29-E31 VanDerWaalsContact C-N 3.29Å; N29-E31 PolarHBondContact O-N 2.98Å
30	S	56.5	Low	61.6	Low	67 Å²	67	110.1 Å²	110.1	47%	0.469	61%	0.611	S	S	.	*			trans	-66.1	93.8	156.9	55.6	0	0	0	0	107.3	Q28 C32	Q28-S30 VanDerWaalsContact C-N 3.29Å; Q28-S30 PolarHBondContact O-N 3.28Å; S30-C32 PolarHBondContact O-N 3.14Å; S30-C32 VanDerWaalsContact O-N 3.17Å
31	E	69.4	Low	64.2	Low	140 Å²	140	106.9 Å²	106.9	65%	0.654	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-58.2	119.8	-178.6	-65.6	-172.4	147	0	0	110.3	N29	N29-E31 VanDerWaalsContact C-N 3.29Å; N29-E31 PolarHBondContact O-N 2.98Å
32	C	85.3	Confident	66.7	Low	49 Å²	49	106.4 Å²	106.4	33%	0.331	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-52	134.5	173.9	-173.6	0	0	0	0	109.9	S30 Q34 C36 C38	S30-C32 PolarHBondContact O-N 3.14Å; S30-C32 VanDerWaalsContact O-N 3.17Å; C32-Q34 PolarHBondContact O-N 3.16Å; C32-C36 PolarHBondContact SG-O 3.5Å; C32-C38 VanDerWaalsContact CA-SG 3.57Å; C32-C38 HydrophobicContact CB-CB 3.72Å; C32-C38 WeakPolarHBondContact CB-SG 3.44Å; C32-C38 WeakPolarHBondContact SG-CB 3.42Å; C32-C38 PolarHBondContact SG-N 2.94Å; C32-C38 CovalentContact SG-SG 2.03Å; C32-C38 PolarHBondContact SG-SG 2.83Å
33	P	88.7	Confident	69.2	Low	15 Å²	15	101.1 Å²	101.1	10%	0.097	55%	0.549	C	S	.	.	P	Polyproline II helix	trans	-54	129.9	178.3	-26	34	0	0	0	111.4	L35 C36 P67 L70	P33-L35 PolarHBondContact O-N 2.87Å; P33-C36 HydrophobicContact CB-CB 4.25Å; P33-C36 PolarHBondContact O-N 3.47Å; P33-P67 HydrophobicContact CB-CB 3.64Å; P33-P67 HydrophobicContact CB-CG 4.04Å; P33-P67 HydrophobicContact CG-CB 3.65Å; P33-P67 HydrophobicContact CG-CG 4.24Å; P33-L70 HydrophobicContact CG-CD2 3.93Å
34	Q	81.8	Confident	71.9	Confident	194 Å²	194	99.9 Å²	99.9	91%	0.907	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-11.3	-165.4	-69.9	-168.5	-18.1	0	0	117.2	C32	C32-Q34 PolarHBondContact O-N 3.16Å
35	L	87.1	Confident	74.2	Confident	126 Å²	126	92.5 Å²	92.5	66%	0.66	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	-12	177	-60.5	177.8	0	0	0	113.2	P33 L61	P33-L35 PolarHBondContact O-N 2.87Å; L35-L61 HydrophobicContact CB-CD1 3.82Å; L35-L61 HydrophobicContact CB-CD2 4.2Å; L35-L61 VanDerWaalsContact O-CD1 3.29Å; L35-L61 WeakPolarHBondContact O-CD1 3.29Å; L35-L61 WeakPolarHBondContact O-CD2 3.2Å
36	C	93.3	Very high	76.8	Confident	15 Å²	15	88 Å²	88	10%	0.101	47%	0.467	C	S	.	.	S	Bend	trans	-101.8	162.7	-176.4	-56	0	0	0	0	111.5	C32 P33 V56 D57 C58	C32-C36 PolarHBondContact SG-O 3.5Å; P33-C36 HydrophobicContact CB-CB 4.25Å; P33-C36 PolarHBondContact O-N 3.47Å; C36-V56 HydrophobicContact CB-CG1 4.14Å; C36-D57 CarbonylContact C-O 3.55Å; C36-D57 WeakPolarHBondContact CA-O 3.49Å; C36-D57 WeakPolarHBondContact CB-O 2.93Å; C36-C58 HydrophobicContact CB-CB 4.12Å; C36-C58 WeakPolarHBondContact CB-SG 3.44Å; C36-C58 WeakPolarHBondContact SG-CB 3.43Å; C36-C58 CovalentContact SG-SG 2.04Å; C36-C58 PolarHBondContact SG-SG 3.14Å
37	V	94.1	Very high	79.2	Confident	76 Å²	76	87.3 Å²	87.3	46%	0.461	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	125.4	173.3	-178.9	0	0	0	0	109	D57	V37-D57 HydrophobicContact CB-CB 4.37Å; V37-D57 PolarHBondContact N-O 3Å; V37-D57 PolarHBondContact O-N 3.07Å
38	C	93.8	Very high	81.6	Confident	54 Å²	54	85.2 Å²	85.2	37%	0.365	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	115.7	176.9	-52.2	0	0	0	0	109.5	C32 T55 V56	C32-C38 VanDerWaalsContact CA-SG 3.57Å; C32-C38 HydrophobicContact CB-CB 3.72Å; C32-C38 WeakPolarHBondContact CB-SG 3.44Å; C32-C38 WeakPolarHBondContact SG-CB 3.42Å; C32-C38 PolarHBondContact SG-N 2.94Å; C32-C38 CovalentContact SG-SG 2.03Å; C32-C38 PolarHBondContact SG-SG 2.83Å; C38-T55 WeakPolarHBondContact CA-O 3.35Å; C38-V56 HydrophobicContact CB-CG2 4.31Å
39	E	93.3	Very high	84.1	Confident	94 Å²	94	80 Å²	80	44%	0.439	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	167.1	-178.4	70	-170	149.9	0	0	111.6	R41 T55	E39-R41 HydrophobicContact CG-CG 3.71Å; E39-R41 IonicContact OE1-CZ 3.66Å; E39-R41 IonicContact OE1-NE 2.85Å; E39-R41 PolarHBondContact OE1-NE 2.86Å; E39-R41 IonicContact OE1-NH2 2.73Å; E39-R41 PolarHBondContact OE1-NH2 3.19Å; E39-T55 PolarHBondContact N-O 3.21Å; E39-T55 PolarHBondContact O-N 3.04Å
40	I	93.1	Very high	86.5	Confident	115 Å²	115	78.6 Å²	78.6	59%	0.59	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	113.2	173.3	-61.3	175.3	0	0	0	107.7	E52 A53 T54	I40-E52 HydrophobicContact CG2-CB 3.84Å; I40-E52 HydrophobicContact CG2-CG 4.43Å; I40-A53 CarbonylContact C-O 3.14Å; I40-A53 WeakPolarHBondContact CA-O 3.4Å; I40-T54 HydrophobicContact CG1-CG2 4.33Å
41	R	91.8	Very high	88.1	Confident	66 Å²	66	82.3 Å²	82.3	25%	0.249	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	152.1	179.5	-63.5	-169.1	175	160.2	2.2	111.7	E39 W43 E52 A53 D57	E39-R41 HydrophobicContact CG-CG 3.71Å; E39-R41 IonicContact OE1-CZ 3.66Å; E39-R41 IonicContact OE1-NE 2.85Å; E39-R41 PolarHBondContact OE1-NE 2.86Å; E39-R41 IonicContact OE1-NH2 2.73Å; E39-R41 PolarHBondContact OE1-NH2 3.19Å; R41-W43 PolarHBondContact O-N 3.35Å; R41-E52 WeakPolarHBondContact O-CA 3.4Å; R41-A53 PolarHBondContact N-O 3.12Å; R41-A53 PolarHBondContact O-N 3.07Å; R41-D57 IonicContact CZ-OD2 2.76Å; R41-D57 VanDerWaalsContact CZ-OD2 3.24Å; R41-D57 IonicContact NH1-OD2 2.86Å; R41-D57 PolarHBondContact NH1-OD2 3.04Å; R41-D57 IonicContact NH2-OD2 2.69Å; R41-D57 PolarHBondContact NH2-OD2 3.32Å
42	P	89.3	Confident	89.1	Confident	84 Å²	84	81.6 Å²	81.6	55%	0.545	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	127.1	157.9	-26.1	36.9	0	0	0	110.7	Y50	P42-Y50 HydrophobicContact CB-CE2 3.86Å; P42-Y50 HydrophobicContact CG-CE2 4.43Å
43	W	90.1	Very high	89.5	Confident	22 Å²	22	79.3 Å²	79.3	8%	0.083	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	149.9	175.7	178.8	68.8	0	0	0	109.4	R41 T45 R51 A53 V76 E99	R41-W43 PolarHBondContact O-N 3.35Å; W43-T45 HydrophobicContact CE3-CG2 4.5Å; W43-T45 HydrophobicContact CH2-CG2 4.07Å; W43-T45 HydrophobicContact CZ3-CG2 3.81Å; W43-R51 HydrophobicContact CE3-CB 4.16Å; W43-R51 PolarHBondContact N-O 3.44Å; W43-R51 PolarHBondContact O-N 3.36Å; W43-A53 HydrophobicContact CB-CB 3.71Å; W43-A53 HydrophobicContact CG-CB 4.19Å; W43-V76 HydrophobicContact CG-CG2 4.34Å; W43-E99 VanDerWaalsContact NE1-CD 3.32Å; W43-E99 PolarHBondContact NE1-OE1 2.88Å; W43-E99 PolarHBondContact NE1-OE2 2.84Å
44	F	87.3	Confident	89.7	Confident	117 Å²	117	80.7 Å²	80.7	51%	0.513	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	130.1	177.6	-68.7	-92	0	0	0	109	T49 Y50	F44-T49 WeakPolarHBondContact CA-O 3.49Å; F44-Y50 HydrophobicContact CE1-CD2 4.15Å; F44-Y50 AromaticContact CZ-CD2 3.96Å; F44-Y50 HydrophobicContact CZ-CD2 3.96Å
45	T	85.1	Confident	90.4	Very high	14 Å²	14	71.8 Å²	71.8	9%	0.086	37%	0.366	C	S	.	.			trans	-64.8	163.3	173	78.1	0	0	0	0	110.7	W43 Q47 S48 T49 R51	W43-T45 HydrophobicContact CE3-CG2 4.5Å; W43-T45 HydrophobicContact CH2-CG2 4.07Å; W43-T45 HydrophobicContact CZ3-CG2 3.81Å; T45-Q47 PolarHBondContact O-N 3.04Å; T45-Q47 PolarHBondContact OG1-N 3.15Å; T45-Q47 PolarHBondContact OG1-OE1 2.67Å; T45-S48 WeakPolarHBondContact O-CA 3.1Å; T45-S48 PolarHBondContact O-N 3.25Å; T45-T49 PolarHBondContact N-O 2.96Å; T45-R51 HydrophobicContact CG2-CG 4.42Å
46	P	84.4	Confident	90.8	Very high	8 Å²	8	66.1 Å²	66.1	5%	0.052	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-8.5	169.3	-32.5	40	0	0	0	116.3	Q146 E147 R171	P46-Q146 HydrophobicContact CB-CB 4.09Å; P46-Q146 HydrophobicContact CG-CB 4.04Å; P46-E147 HydrophobicContact CB-CG 3.94Å; P46-E147 WeakPolarHBondContact CB-OE1 3.27Å; P46-E147 HydrophobicContact CG-CG 3.96Å; P46-R171 PolarHBondContact O-NH1 2.96Å
47	Q	85.1	Confident	90.9	Very high	101 Å²	101	67 Å²	67	47%	0.472	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	23.8	171.6	-52.6	76.5	23.9	0	0	112.3	T45 T49	T45-Q47 PolarHBondContact O-N 3.04Å; T45-Q47 PolarHBondContact OG1-N 3.15Å; T45-Q47 PolarHBondContact OG1-OE1 2.67Å; Q47-T49 PolarHBondContact O-N 2.92Å; Q47-T49 VanDerWaalsContact O-N 3.11Å; Q47-T49 PolarHBondContact O-OG1 2.95Å
48	S	87.6	Confident	91	Very high	100 Å²	100	63.3 Å²	63.3	70%	0.699	32%	0.318	S	S	*	.			trans	54.5	27.5	-179.6	-50.2	0	0	0	0	114.8	T45	T45-S48 WeakPolarHBondContact O-CA 3.1Å; T45-S48 PolarHBondContact O-N 3.25Å
49	T	88.8	Confident	91.1	Very high	74 Å²	74	62.9 Å²	62.9	45%	0.454	31%	0.312	S	S	.	.			trans	-91.3	119.5	-178.9	-60.9	0	0	0	0	110.5	F44 T45 Q47	F44-T49 WeakPolarHBondContact CA-O 3.49Å; T45-T49 PolarHBondContact N-O 2.96Å; Q47-T49 PolarHBondContact O-N 2.92Å; Q47-T49 VanDerWaalsContact O-N 3.11Å; Q47-T49 PolarHBondContact O-OG1 2.95Å
50	Y	90.8	Very high	91.2	Very high	120 Å²	120	63.7 Å²	63.7	47%	0.471	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	135.4	176.4	178	-83.6	0	0	0	111.9	P42 F44 E52	P42-Y50 HydrophobicContact CB-CE2 3.86Å; P42-Y50 HydrophobicContact CG-CE2 4.43Å; F44-Y50 HydrophobicContact CE1-CD2 4.15Å; F44-Y50 AromaticContact CZ-CD2 3.96Å; F44-Y50 HydrophobicContact CZ-CD2 3.96Å; Y50-E52 HydrophobicContact CE1-CG 4.12Å; Y50-E52 WeakPolarHBondContact OH-CG 3.5Å; Y50-E52 PolarHBondContact OH-OE1 3.28Å
51	R	90.3	Very high	91.4	Very high	145 Å²	145	60.7 Å²	60.7	55%	0.547	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	171.5	167.8	-65.8	-171.8	177	-165.7	0.5	109.3	W43 T45	W43-R51 HydrophobicContact CE3-CB 4.16Å; W43-R51 PolarHBondContact N-O 3.44Å; W43-R51 PolarHBondContact O-N 3.36Å; T45-R51 HydrophobicContact CG2-CG 4.42Å
52	E	91.1	Very high	91.5	Very high	124 Å²	124	66.5 Å²	66.5	58%	0.579	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.5	136.1	164.7	-79.4	157.2	-151.8	0	0	107.6	I40 R41 Y50	I40-E52 HydrophobicContact CG2-CB 3.84Å; I40-E52 HydrophobicContact CG2-CG 4.43Å; R41-E52 WeakPolarHBondContact O-CA 3.4Å; Y50-E52 HydrophobicContact CE1-CG 4.12Å; Y50-E52 WeakPolarHBondContact OH-CG 3.5Å; Y50-E52 PolarHBondContact OH-OE1 3.28Å
53	A	92.2	Very high	91.7	Very high	2 Å²	2	63.8 Å²	63.8	2%	0.017	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	147.3	-175.4	0	0	0	0	0	111.8	I40 R41 W43 T55 Q75 V76	I40-A53 CarbonylContact C-O 3.14Å; I40-A53 WeakPolarHBondContact CA-O 3.4Å; R41-A53 PolarHBondContact N-O 3.12Å; R41-A53 PolarHBondContact O-N 3.07Å; W43-A53 HydrophobicContact CB-CB 3.71Å; W43-A53 HydrophobicContact CG-CB 4.19Å; A53-T55 PolarHBondContact O-N 3.23Å; A53-Q75 VanDerWaalsContact CA-OE1 3.29Å; A53-Q75 HydrophobicContact CB-CB 4.25Å; A53-V76 HydrophobicContact CB-CG2 3.85Å
54	T	94	Very high	91.9	Very high	44 Å²	44	67.7 Å²	67.7	27%	0.27	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	100.6	173.9	41	0	0	0	0	110.3	I40 D73 Q75 V76	I40-T54 HydrophobicContact CG1-CG2 4.33Å; T54-D73 WeakPolarHBondContact CB-O 3.41Å; T54-D73 PolarHBondContact OG1-O 2.82Å; T54-Q75 PolarHBondContact O-N 2.8Å; T54-Q75 WeakPolarHBondContact OG1-CB 3.37Å; T54-Q75 WeakPolarHBondContact OG1-CG 3.45Å; T54-Q75 PolarHBondContact OG1-N 2.79Å; T54-Q75 VanDerWaalsContact OG1-N 3.09Å; T54-Q75 PolarHBondContact OG1-OE1 3.17Å; T54-V76 PolarHBondContact O-N 3.04Å
55	T	95.4	Very high	92.2	Very high	7 Å²	7	67.8 Å²	67.8	4%	0.043	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	135	-179.2	-52.8	0	0	0	0	111.4	C38 E39 A53 V76 L78	C38-T55 WeakPolarHBondContact CA-O 3.35Å; E39-T55 PolarHBondContact N-O 3.21Å; E39-T55 PolarHBondContact O-N 3.04Å; A53-T55 PolarHBondContact O-N 3.23Å; T55-V76 CarbonylContact C-O 3.5Å; T55-V76 WeakPolarHBondContact CA-O 3.42Å; T55-V76 HydrophobicContact CG2-CB 4.12Å; T55-V76 HydrophobicContact CG2-CG1 4.02Å; T55-L78 HydrophobicContact CG2-CD1 4.03Å; T55-L78 HydrophobicContact CG2-CG 4.27Å
56	V	95.6	Very high	92.5	Very high	6 Å²	6	67.1 Å²	67.1	4%	0.036	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	119.8	161.8	-176.9	0	0	0	0	108.6	C36 C38 L70 T74 V76 L77 L78	C36-V56 HydrophobicContact CB-CG1 4.14Å; C38-V56 HydrophobicContact CB-CG2 4.31Å; V56-L70 HydrophobicContact CB-CD2 4.25Å; V56-L70 HydrophobicContact CG1-CD2 3.69Å; V56-L70 HydrophobicContact CG2-CD2 4.28Å; V56-T74 HydrophobicContact CB-CG2 4.23Å; V56-T74 HydrophobicContact CG2-CG2 3.76Å; V56-T74 WeakPolarHBondContact CG2-OG1 3.45Å; V56-V76 PolarHBondContact N-O 3.22Å; V56-L77 HydrophobicContact CB-CD1 4.06Å; V56-L77 HydrophobicContact CG1-CD1 4.25Å; V56-L78 PolarHBondContact O-N 3.12Å
57	D	96.1	Very high	92.8	Very high	33 Å²	33	67.8 Å²	67.8	18%	0.176	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	113.6	-174.8	-173	-14.8	0	0	0	109.9	C36 V37 R41 N59 L78	C36-D57 CarbonylContact C-O 3.55Å; C36-D57 WeakPolarHBondContact CA-O 3.49Å; C36-D57 WeakPolarHBondContact CB-O 2.93Å; V37-D57 HydrophobicContact CB-CB 4.37Å; V37-D57 PolarHBondContact N-O 3Å; V37-D57 PolarHBondContact O-N 3.07Å; R41-D57 IonicContact CZ-OD2 2.76Å; R41-D57 VanDerWaalsContact CZ-OD2 3.24Å; R41-D57 IonicContact NH1-OD2 2.86Å; R41-D57 PolarHBondContact NH1-OD2 3.04Å; R41-D57 IonicContact NH2-OD2 2.69Å; R41-D57 PolarHBondContact NH2-OD2 3.32Å; D57-N59 PolarHBondContact OD1-N 3.1Å; D57-N59 PolarHBondContact OD1-ND2 3.12Å; D57-L78 HydrophobicContact CB-CD1 4.43Å
58	C	95.9	Very high	92.6	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.337	C	S	.	.			trans	-127	30	-175.5	-66.1	0	0	0	0	111.7	C36 L61 L63 L78 L79 N82	C36-C58 HydrophobicContact CB-CB 4.12Å; C36-C58 WeakPolarHBondContact CB-SG 3.44Å; C36-C58 WeakPolarHBondContact SG-CB 3.43Å; C36-C58 CovalentContact SG-SG 2.04Å; C36-C58 PolarHBondContact SG-SG 3.14Å; C58-L61 HydrophobicContact CB-CD1 3.91Å; C58-L61 WeakPolarHBondContact O-CG 3.28Å; C58-L63 HydrophobicContact CB-CD1 3.96Å; C58-L78 WeakPolarHBondContact CA-O 3.21Å; C58-L78 WeakPolarHBondContact CB-O 3.33Å; C58-L78 PolarHBondContact N-O 3.08Å; C58-L79 HydrophobicContact CB-CD2 3.44Å; C58-L79 VanDerWaalsContact CB-CD2 3.44Å; C58-L79 HydrophobicContact CB-CG 4.27Å; C58-N82 PolarHBondContact O-ND2 3.06Å
59	N	96.4	Very high	92.3	Very high	44 Å²	44	66.6 Å²	66.6	24%	0.235	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	146.6	-173.4	-65.3	-13.8	0	0	0	113.6	D57 L61 L78 L79 Q80	D57-N59 PolarHBondContact OD1-N 3.1Å; D57-N59 PolarHBondContact OD1-ND2 3.12Å; N59-L61 VanDerWaalsContact C-N 3.26Å; N59-L61 PolarHBondContact O-N 2.84Å; N59-L78 WeakPolarHBondContact OD1-CB 3.31Å; N59-L78 PolarHBondContact OD1-O 3.25Å; N59-L79 PolarHBondContact OD1-N 2.93Å; N59-Q80 WeakPolarHBondContact CA-O 3.45Å; N59-Q80 HydrophobicContact CB-CB 4.45Å; N59-Q80 WeakPolarHBondContact OD1-CB 3.26Å; N59-Q80 PolarHBondContact OD1-N 3.26Å
60	D	95.8	Very high	92.3	Very high	111 Å²	111	64.3 Å²	64.3	59%	0.594	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	36.2	-177.7	-168.3	28	0	0	0	115	Q80	D60-Q80 PolarHBondContact N-O 3.19Å
61	L	95.6	Very high	92.2	Very high	53 Å²	53	60 Å²	60	28%	0.277	30%	0.299	S	S	.	.	S	Bend	trans	-97.4	0.2	179.4	-66.5	-176.7	0	0	0	113.8	L35 C58 N59 L63 N82	L35-L61 HydrophobicContact CB-CD1 3.82Å; L35-L61 HydrophobicContact CB-CD2 4.2Å; L35-L61 VanDerWaalsContact O-CD1 3.29Å; L35-L61 WeakPolarHBondContact O-CD1 3.29Å; L35-L61 WeakPolarHBondContact O-CD2 3.2Å; C58-L61 HydrophobicContact CB-CD1 3.91Å; C58-L61 WeakPolarHBondContact O-CG 3.28Å; N59-L61 VanDerWaalsContact C-N 3.26Å; N59-L61 PolarHBondContact O-N 2.84Å; L61-L63 HydrophobicContact CB-CD1 3.98Å; L61-L63 HydrophobicContact CB-CD2 4.33Å; L61-L63 HydrophobicContact CB-CG 3.71Å; L61-L63 HydrophobicContact CD1-CD1 4.16Å; L61-L63 PolarHBondContact O-N 3.15Å; L61-N82 PolarHBondContact N-OD1 2.88Å
62	R	95.1	Very high	92	Very high	188 Å²	188	55.4 Å²	55.4	71%	0.709	29%	0.289	S	S	*	.			trans	54.1	31.5	-176.4	-53.4	-179.5	-172.8	178.1	1.7	113.4	N82 N83	R62-N82 PolarHBondContact N-OD1 3.39Å; R62-N83 WeakPolarHBondContact CA-OD1 3.46Å
63	L	94.1	Very high	91.9	Very high	27 Å²	27	54.1 Å²	54.1	14%	0.141	29%	0.286	C	S	.	.			trans	-65.5	133.3	-179.7	-65.6	170.5	0	0	0	110.3	C58 L61 P67 L79 N82 N83 I84	C58-L63 HydrophobicContact CB-CD1 3.96Å; L61-L63 HydrophobicContact CB-CD1 3.98Å; L61-L63 HydrophobicContact CB-CD2 4.33Å; L61-L63 HydrophobicContact CB-CG 3.71Å; L61-L63 HydrophobicContact CD1-CD1 4.16Å; L61-L63 PolarHBondContact O-N 3.15Å; L63-P67 HydrophobicContact CD1-CG 4.35Å; L63-L79 HydrophobicContact CD1-CD2 3.71Å; L63-N82 HydrophobicContact CB-CB 4.32Å; L63-N82 WeakPolarHBondContact CB-OD1 3.36Å; L63-N82 PolarHBondContact N-OD1 2.82Å; L63-N83 CarbonylContact O-C 3.47Å; L63-N83 VanDerWaalsContact O-CA 3.29Å; L63-N83 WeakPolarHBondContact O-CA 3.44Å; L63-N83 PolarHBondContact O-N 2.76Å; L63-I84 HydrophobicContact CB-CG1 4.43Å; L63-I84 VanDerWaalsContact O-CG1 3.3Å; L63-I84 WeakPolarHBondContact O-CG1 3.44Å; L63-I84 PolarHBondContact O-N 2.71Å; L63-I84 VanDerWaalsContact O-N 3.16Å
64	T	93.9	Very high	92	Very high	104 Å²	104	54.2 Å²	54.2	64%	0.638	29%	0.287	S	S	*	.	S	Bend	trans	-96.2	-7.9	172.2	52.3	0	0	0	0	113.1	N83	T64-N83 HydrophobicContact CG2-CB 4.14Å
65	R	92.4	Very high	92	Very high	118 Å²	118	55.4 Å²	55.4	45%	0.445	29%	0.289	S	S	.	.	S	Bend	trans	-156.7	162.1	175.9	62.7	175.3	-65.7	-99.6	-2.3	110.5	E90	R65-E90 IonicContact CZ-OE1 3.34Å; R65-E90 IonicContact NE-OE1 3.12Å; R65-E90 PolarHBondContact NE-OE1 3.05Å; R65-E90 VanDerWaalsContact NE-OE1 3.12Å; R65-E90 IonicContact NH2-OE1 3.94Å; R65-E90 PolarHBondContact NH2-OE1 3.28Å
66	I	92.2	Very high	92	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.288	C	S	.	.			trans	-66.8	141.9	175.8	-47.1	-174	0	0	0	110.4	L70 L79 I84 T87 E90 L91 F102	I66-L70 HydrophobicContact CG2-CD1 3.48Å; I66-L70 VanDerWaalsContact CG2-CD1 3.48Å; I66-L79 HydrophobicContact CD1-CD1 4.36Å; I66-L79 HydrophobicContact CG1-CD1 4.14Å; I66-L79 HydrophobicContact CG2-CD1 4.27Å; I66-I84 HydrophobicContact CG1-CD1 4.46Å; I66-T87 HydrophobicContact CD1-CG2 3.78Å; I66-T87 HydrophobicContact CG1-CG2 4.25Å; I66-E90 HydrophobicContact CB-CB 3.83Å; I66-E90 HydrophobicContact CB-CG 4.16Å; I66-E90 HydrophobicContact CD1-CB 4.04Å; I66-E90 HydrophobicContact CG1-CB 4.3Å; I66-E90 HydrophobicContact CG2-CB 4.28Å; I66-L91 HydrophobicContact CD1-CD1 4.43Å; I66-L91 HydrophobicContact CD1-CD2 3.48Å; I66-L91 VanDerWaalsContact CD1-CD2 3.48Å; I66-L91 HydrophobicContact CD1-CG 3.7Å; I66-F102 HydrophobicContact CD1-CE1 4.4Å; I66-F102 HydrophobicContact CD1-CZ 3.89Å; I66-F102 HydrophobicContact CG1-CZ 4.49Å
67	P	89.6	Confident	92.1	Very high	23 Å²	23	54.9 Å²	54.9	15%	0.149	29%	0.286	C	S	.	.			trans	-60.5	141.3	169.8	-22.6	33.9	0	0	0	112.7	P33 L63 N69	P33-P67 HydrophobicContact CB-CB 3.64Å; P33-P67 HydrophobicContact CB-CG 4.04Å; P33-P67 HydrophobicContact CG-CB 3.65Å; P33-P67 HydrophobicContact CG-CG 4.24Å; L63-P67 HydrophobicContact CD1-CG 4.35Å; P67-N69 VanDerWaalsContact C-N 3.3Å; P67-N69 PolarHBondContact O-N 3.17Å
68	S	81	Confident	92.1	Very high	86 Å²	86	54.6 Å²	54.6	60%	0.601	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-3.9	-175.4	48.7	0	0	0	0	115.7
69	N	82.8	Confident	92.1	Very high	89 Å²	89	54.6 Å²	54.6	48%	0.476	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	33.1	-167.2	-62.3	30.8	0	0	0	111.8	P67	P67-N69 VanDerWaalsContact C-N 3.3Å; P67-N69 PolarHBondContact O-N 3.17Å
70	L	88.2	Confident	92.2	Very high	27 Å²	27	55.7 Å²	55.7	14%	0.141	29%	0.288	C	S	.	.			trans	-75.6	149.7	175.5	-64.1	176.5	0	0	0	110.9	P33 V56 I66 L77 L94	P33-L70 HydrophobicContact CG-CD2 3.93Å; V56-L70 HydrophobicContact CB-CD2 4.25Å; V56-L70 HydrophobicContact CG1-CD2 3.69Å; V56-L70 HydrophobicContact CG2-CD2 4.28Å; I66-L70 HydrophobicContact CG2-CD1 3.48Å; I66-L70 VanDerWaalsContact CG2-CD1 3.48Å; L70-L77 HydrophobicContact CD1-CD1 4.02Å; L70-L77 HydrophobicContact CD1-CD2 3.87Å; L70-L77 HydrophobicContact CD2-CD1 4.24Å; L70-L94 HydrophobicContact CB-CD2 4Å; L70-L94 HydrophobicContact CD1-CD1 3.83Å
71	S	87.8	Confident	92.3	Very high	28 Å²	28	52.3 Å²	52.3	20%	0.196	27%	0.273	C	S	.	.			trans	-81.4	142.8	175.8	-176.7	0	0	0	0	110.9	D73 T74 L94	S71-D73 PolarHBondContact O-N 2.78Å; S71-D73 VanDerWaalsContact O-N 3.15Å; S71-D73 PolarHBondContact OG-N 3Å; S71-T74 WeakPolarHBondContact O-CB 3.3Å; S71-T74 PolarHBondContact O-N 3.22Å; S71-T74 VanDerWaalsContact O-N 3.13Å; S71-T74 PolarHBondContact O-OG1 3.22Å; S71-T74 VanDerWaalsContact O-OG1 3.09Å; S71-L94 VanDerWaalsContact O-CD2 3.26Å; S71-L94 WeakPolarHBondContact O-CD2 3.46Å
72	S	87	Confident	92.3	Very high	50 Å²	50	50 Å²	50	35%	0.35	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-19.4	169.3	53.5	0	0	0	0	113.2	T74 N96	S72-T74 VanDerWaalsContact C-N 3.33Å; S72-N96 PolarHBondContact O-ND2 3.17Å
73	D	89.7	Confident	92.4	Very high	96 Å²	96	45.1 Å²	45.1	51%	0.513	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	3.9	-179.2	-58.7	-16.5	0	0	0	112.3	T54 S71 Q75	T54-D73 WeakPolarHBondContact CB-O 3.41Å; T54-D73 PolarHBondContact OG1-O 2.82Å; S71-D73 PolarHBondContact O-N 2.78Å; S71-D73 VanDerWaalsContact O-N 3.15Å; S71-D73 PolarHBondContact OG-N 3Å; D73-Q75 PolarHBondContact O-N 3.43Å
74	T	93	Very high	92.5	Very high	4 Å²	4	43.9 Å²	43.9	3%	0.025	24%	0.242	C	C	.	.			trans	-66.8	124.8	174.1	-63.8	0	0	0	0	111.2	V56 S71 S72 V76 L77 L97	V56-T74 HydrophobicContact CB-CG2 4.23Å; V56-T74 HydrophobicContact CG2-CG2 3.76Å; V56-T74 WeakPolarHBondContact CG2-OG1 3.45Å; S71-T74 WeakPolarHBondContact O-CB 3.3Å; S71-T74 PolarHBondContact O-N 3.22Å; S71-T74 VanDerWaalsContact O-N 3.13Å; S71-T74 PolarHBondContact O-OG1 3.22Å; S71-T74 VanDerWaalsContact O-OG1 3.09Å; S72-T74 VanDerWaalsContact C-N 3.33Å; T74-V76 WeakPolarHBondContact CG2-O 3.19Å; T74-L77 HydrophobicContact CG2-CB 4.36Å; T74-L97 HydrophobicContact CG2-CD1 4.12Å
75	Q	94.5	Very high	92.6	Very high	69 Å²	69	40.9 Å²	40.9	32%	0.322	23%	0.229	S	C	.	.			trans	-104	-33.1	179.5	-72.3	170.4	-32.2	0	0	112.7	A53 T54 D73 L97 T98 E99	A53-Q75 VanDerWaalsContact CA-OE1 3.29Å; A53-Q75 HydrophobicContact CB-CB 4.25Å; T54-Q75 PolarHBondContact O-N 2.8Å; T54-Q75 WeakPolarHBondContact OG1-CB 3.37Å; T54-Q75 WeakPolarHBondContact OG1-CG 3.45Å; T54-Q75 PolarHBondContact OG1-N 2.79Å; T54-Q75 VanDerWaalsContact OG1-N 3.09Å; T54-Q75 PolarHBondContact OG1-OE1 3.17Å; D73-Q75 PolarHBondContact O-N 3.43Å; Q75-L97 WeakPolarHBondContact O-CD1 3.33Å; Q75-T98 PolarHBondContact O-N 3.02Å; Q75-T98 PolarHBondContact O-OG1 2.65Å; Q75-T98 VanDerWaalsContact O-OG1 3.04Å; Q75-E99 PolarHBondContact O-N 3.21Å; Q75-E99 VanDerWaalsContact O-N 3.07Å
76	V	96.2	Very high	92.7	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.018	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	125	177.1	-176.6	0	0	0	0	108.8	W43 A53 T54 T55 V56 T74 L78 E99	W43-V76 HydrophobicContact CG-CG2 4.34Å; A53-V76 HydrophobicContact CB-CG2 3.85Å; T54-V76 PolarHBondContact O-N 3.04Å; T55-V76 CarbonylContact C-O 3.5Å; T55-V76 WeakPolarHBondContact CA-O 3.42Å; T55-V76 HydrophobicContact CG2-CB 4.12Å; T55-V76 HydrophobicContact CG2-CG1 4.02Å; V56-V76 PolarHBondContact N-O 3.22Å; T74-V76 WeakPolarHBondContact CG2-O 3.19Å; V76-L78 HydrophobicContact CG1-CD2 3.73Å; V76-L78 HydrophobicContact CG1-CG 4.12Å; V76-E99 WeakPolarHBondContact CA-O 3.23Å; V76-E99 HydrophobicContact CB-CB 4.47Å; V76-E99 HydrophobicContact CG1-CB 4.14Å; V76-E99 HydrophobicContact CG1-CG 4.22Å; V76-E99 HydrophobicContact CG2-CB 4.16Å
77	L	96	Very high	92.6	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	113.9	177.4	178.3	60.6	0	0	0	110	V56 L70 T74 L79 L91 L94 L97 E99 L100 D101	V56-L77 HydrophobicContact CB-CD1 4.06Å; V56-L77 HydrophobicContact CG1-CD1 4.25Å; L70-L77 HydrophobicContact CD1-CD1 4.02Å; L70-L77 HydrophobicContact CD1-CD2 3.87Å; L70-L77 HydrophobicContact CD2-CD1 4.24Å; T74-L77 HydrophobicContact CG2-CB 4.36Å; L77-L79 HydrophobicContact CD1-CD1 4.13Å; L77-L79 HydrophobicContact CD1-CG 4.28Å; L77-L79 HydrophobicContact CD2-CD1 3.84Å; L77-L79 HydrophobicContact CG-CD1 3.82Å; L77-L79 HydrophobicContact CG-CG 4.26Å; L77-L91 HydrophobicContact CD2-CD2 4.14Å; L77-L94 HydrophobicContact CD2-CD1 3.83Å; L77-L97 HydrophobicContact CB-CD1 3.71Å; L77-E99 PolarHBondContact N-O 2.96Å; L77-L100 HydrophobicContact CB-CD1 4.18Å; L77-L100 HydrophobicContact CD2-CD1 4.06Å; L77-L100 HydrophobicContact CG-CD1 4.2Å; L77-D101 PolarHBondContact O-N 3.4Å
78	L	97.1	Very high	92.2	Very high	26 Å²	26	45 Å²	45	14%	0.136	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	120	-179.2	-47.1	175.9	0	0	0	109.9	T55 V56 D57 C58 N59 V76 D101	T55-L78 HydrophobicContact CG2-CD1 4.03Å; T55-L78 HydrophobicContact CG2-CG 4.27Å; V56-L78 PolarHBondContact O-N 3.12Å; D57-L78 HydrophobicContact CB-CD1 4.43Å; C58-L78 WeakPolarHBondContact CA-O 3.21Å; C58-L78 WeakPolarHBondContact CB-O 3.33Å; C58-L78 PolarHBondContact N-O 3.08Å; N59-L78 WeakPolarHBondContact OD1-CB 3.31Å; N59-L78 PolarHBondContact OD1-O 3.25Å; V76-L78 HydrophobicContact CG1-CD2 3.73Å; V76-L78 HydrophobicContact CG1-CG 4.12Å; L78-D101 HydrophobicContact CD2-CB 3.85Å
79	L	96.8	Very high	92.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.251	C	S	.	.			trans	-131.8	28.2	-179.5	-73.6	160.5	0	0	0	111.5	C58 N59 L63 I66 L77 N82 I84 D101 F102 N105	C58-L79 HydrophobicContact CB-CD2 3.44Å; C58-L79 VanDerWaalsContact CB-CD2 3.44Å; C58-L79 HydrophobicContact CB-CG 4.27Å; N59-L79 PolarHBondContact OD1-N 2.93Å; L63-L79 HydrophobicContact CD1-CD2 3.71Å; I66-L79 HydrophobicContact CD1-CD1 4.36Å; I66-L79 HydrophobicContact CG1-CD1 4.14Å; I66-L79 HydrophobicContact CG2-CD1 4.27Å; L77-L79 HydrophobicContact CD1-CD1 4.13Å; L77-L79 HydrophobicContact CD1-CG 4.28Å; L77-L79 HydrophobicContact CD2-CD1 3.84Å; L77-L79 HydrophobicContact CG-CD1 3.82Å; L77-L79 HydrophobicContact CG-CG 4.26Å; L79-N82 VanDerWaalsContact C-ND2 3.29Å; L79-N82 PolarHBondContact O-ND2 2.82Å; L79-I84 HydrophobicContact CB-CD1 4.34Å; L79-I84 HydrophobicContact CD1-CD1 4.31Å; L79-I84 HydrophobicContact CD2-CD1 4.18Å; L79-D101 CarbonylContact C-O 3.18Å; L79-D101 WeakPolarHBondContact CA-O 3.46Å; L79-D101 WeakPolarHBondContact CB-O 3.44Å; L79-D101 PolarHBondContact N-O 2.95Å; L79-F102 HydrophobicContact CB-CD1 3.95Å; L79-F102 HydrophobicContact CB-CE1 4.1Å; L79-F102 HydrophobicContact CD1-CD1 4.23Å; L79-F102 HydrophobicContact CD1-CE1 3.54Å; L79-F102 HydrophobicContact CD1-CZ 4.18Å; L79-F102 HydrophobicContact CG-CE1 4.45Å; L79-N105 PolarHBondContact O-ND2 2.82Å
80	Q	96.9	Very high	92.1	Very high	67 Å²	67	43 Å²	43	31%	0.313	24%	0.237	S	C	.	.			trans	-60	148.6	179	173.6	171.9	69.8	0	0	113	N59 D60 N82 S103	N59-Q80 WeakPolarHBondContact CA-O 3.45Å; N59-Q80 HydrophobicContact CB-CB 4.45Å; N59-Q80 WeakPolarHBondContact OD1-CB 3.26Å; N59-Q80 PolarHBondContact OD1-N 3.26Å; D60-Q80 PolarHBondContact N-O 3.19Å; Q80-N82 PolarHBondContact O-N 3.11Å; Q80-N82 PolarHBondContact O-ND2 3.49Å; Q80-N82 VanDerWaalsContact O-ND2 3.09Å; Q80-S103 WeakPolarHBondContact CA-O 3.22Å; Q80-S103 WeakPolarHBondContact CG-OG 3.33Å; Q80-S103 PolarHBondContact NE2-OG 3.19Å
81	S	97.4	Very high	92.1	Very high	40 Å²	40	41.9 Å²	41.9	28%	0.28	23%	0.231	S	C	.	.	S	Bend	trans	56.9	46.4	176	-48.1	0	0	0	0	113.2	S103 Q104	S81-S103 PolarHBondContact N-O 3.25Å; S81-Q104 WeakPolarHBondContact CA-O 3.24Å; S81-Q104 PolarHBondContact OG-OE1 3.32Å
82	N	97.4	Very high	91.7	Very high	5 Å²	5	45.8 Å²	45.8	3%	0.027	25%	0.246	C	C	.	.			trans	-118.1	-176.5	179.7	-81.1	-68.7	0	0	0	111.5	C58 L61 R62 L63 L79 Q80 I84 Q104 N105	C58-N82 PolarHBondContact O-ND2 3.06Å; L61-N82 PolarHBondContact N-OD1 2.88Å; R62-N82 PolarHBondContact N-OD1 3.39Å; L63-N82 HydrophobicContact CB-CB 4.32Å; L63-N82 WeakPolarHBondContact CB-OD1 3.36Å; L63-N82 PolarHBondContact N-OD1 2.82Å; L79-N82 VanDerWaalsContact C-ND2 3.29Å; L79-N82 PolarHBondContact O-ND2 2.82Å; Q80-N82 PolarHBondContact O-N 3.11Å; Q80-N82 PolarHBondContact O-ND2 3.49Å; Q80-N82 VanDerWaalsContact O-ND2 3.09Å; N82-I84 HydrophobicContact CB-CG1 4.25Å; N82-Q104 PolarHBondContact N-O 3.12Å; N82-N105 WeakPolarHBondContact CB-OD1 3.26Å; N82-N105 PolarHBondContact O-OD1 3.3Å
83	N	97	Very high	91.5	Very high	86 Å²	86	50.4 Å²	50.4	46%	0.46	26%	0.262	S	S	.	.			trans	-113.3	28.7	-177.7	-63.5	112.1	0	0	0	112.1	R62 L63 T64 A85	R62-N83 WeakPolarHBondContact CA-OD1 3.46Å; L63-N83 CarbonylContact O-C 3.47Å; L63-N83 VanDerWaalsContact O-CA 3.29Å; L63-N83 WeakPolarHBondContact O-CA 3.44Å; L63-N83 PolarHBondContact O-N 2.76Å; T64-N83 HydrophobicContact CG2-CB 4.14Å; N83-A85 PolarHBondContact O-N 2.85Å
84	I	96.2	Very high	91.4	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.239	C	C	.	.			trans	-76.3	123	-179.6	-51.2	177.8	0	0	0	108.4	L63 I66 L79 N82 K86 F102 N105 N106 F107	L63-I84 HydrophobicContact CB-CG1 4.43Å; L63-I84 VanDerWaalsContact O-CG1 3.3Å; L63-I84 WeakPolarHBondContact O-CG1 3.44Å; L63-I84 PolarHBondContact O-N 2.71Å; L63-I84 VanDerWaalsContact O-N 3.16Å; I66-I84 HydrophobicContact CG1-CD1 4.46Å; L79-I84 HydrophobicContact CB-CD1 4.34Å; L79-I84 HydrophobicContact CD1-CD1 4.31Å; L79-I84 HydrophobicContact CD2-CD1 4.18Å; N82-I84 HydrophobicContact CB-CG1 4.25Å; I84-K86 WeakPolarHBondContact CG2-O 3.39Å; I84-F102 HydrophobicContact CD1-CD1 4.46Å; I84-F102 HydrophobicContact CD1-CE1 3.99Å; I84-N105 VanDerWaalsContact CB-OD1 3.32Å; I84-N105 WeakPolarHBondContact CB-OD1 3.44Å; I84-N105 WeakPolarHBondContact CG1-OD1 3.42Å; I84-N105 PolarHBondContact N-OD1 2.84Å; I84-N106 CarbonylContact O-C 3.58Å; I84-N106 WeakPolarHBondContact O-CA 3.44Å; I84-N106 PolarHBondContact O-N 2.99Å; I84-F107 HydrophobicContact CB-CE2 4.28Å; I84-F107 HydrophobicContact CB-CZ 4.14Å; I84-F107 HydrophobicContact CG2-CE1 4.04Å; I84-F107 HydrophobicContact CG2-CE2 4.16Å; I84-F107 HydrophobicContact CG2-CZ 3.52Å
85	A	95.4	Very high	91.1	Very high	42 Å²	42	51.2 Å²	51.2	35%	0.347	26%	0.261	S	S	.	.			trans	-105.3	-21.2	175.5	0	0	0	0	0	113	N83 N106 F107	N83-A85 PolarHBondContact O-N 2.85Å; A85-N106 WeakPolarHBondContact CA-O 3.35Å; A85-N106 HydrophobicContact CB-CB 4.27Å; A85-F107 WeakPolarHBondContact O-CD1 3.39Å
86	K	94.5	Very high	91	Very high	125 Å²	125	50.6 Å²	50.6	54%	0.543	26%	0.26	S	S	.	.			trans	-158.6	153.4	175.1	63.9	178.5	-177.3	174.6	0	111.3	I84 E112	I84-K86 WeakPolarHBondContact CG2-O 3.39Å; K86-E112 CarbonylContact C-O 3.5Å; K86-E112 VanDerWaalsContact CA-O 3.25Å; K86-E112 WeakPolarHBondContact CA-O 3.48Å; K86-E112 HydrophobicContact CB-CB 3.93Å
87	T	91	Very high	90.9	Very high	15 Å²	15	50.5 Å²	50.5	9%	0.092	26%	0.26	C	S	.	.			trans	-100.2	171.6	162.3	71.5	0	0	0	0	109.1	I66 L91 F102 F107 E112 V113 G114	I66-T87 HydrophobicContact CD1-CG2 3.78Å; I66-T87 HydrophobicContact CG1-CG2 4.25Å; T87-L91 HydrophobicContact CG2-CD1 4.21Å; T87-F102 HydrophobicContact CG2-CE2 4.34Å; T87-F102 HydrophobicContact CG2-CZ 3.78Å; T87-F107 HydrophobicContact CG2-CE1 4.13Å; T87-F107 HydrophobicContact CG2-CZ 4.07Å; T87-E112 PolarHBondContact N-O 3.31Å; T87-E112 PolarHBondContact OG1-O 3.42Å; T87-V113 VanDerWaalsContact CG2-O 3.32Å; T87-V113 WeakPolarHBondContact CG2-O 3.32Å; T87-V113 PolarHBondContact OG1-O 3.42Å; T87-G114 WeakPolarHBondContact OG1-CA 3.25Å; T87-G114 PolarHBondContact OG1-N 3.32Å
88	V	79.5	Confident	90.8	Very high	87 Å²	87	51.7 Å²	51.7	53%	0.527	27%	0.267	S	S	.	.	S	Bend	trans	-126	-82.2	174.7	-170.9	0	0	0	0	109.9	E90	V88-E90 WeakPolarHBondContact CA-OE2 3.46Å; V88-E90 PolarHBondContact N-OE2 3.09Å
89	D	79.6	Confident	90.8	Very high	95 Å²	95	52.1 Å²	52.1	51%	0.508	27%	0.268	S	S	.	.	S	Bend	trans	-121.4	-4.8	-179.8	-57.6	-58.8	0	0	0	111.9	L91 Q92	D89-L91 VanDerWaalsContact C-N 3.25Å; D89-L91 PolarHBondContact O-N 3.13Å; D89-L91 VanDerWaalsContact O-N 3.15Å; D89-Q92 WeakPolarHBondContact O-CB 3.35Å; D89-Q92 PolarHBondContact O-N 3.03Å; D89-Q92 PolarHBondContact OD1-NE2 3.15Å
90	E	83.1	Confident	90.8	Very high	39 Å²	39	52.1 Å²	52.1	18%	0.182	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-26.2	-170.2	-64.9	95.9	154.6	0	0	114.4	R65 I66 V88	R65-E90 IonicContact CZ-OE1 3.34Å; R65-E90 IonicContact NE-OE1 3.12Å; R65-E90 PolarHBondContact NE-OE1 3.05Å; R65-E90 VanDerWaalsContact NE-OE1 3.12Å; R65-E90 IonicContact NH2-OE1 3.94Å; R65-E90 PolarHBondContact NH2-OE1 3.28Å; I66-E90 HydrophobicContact CB-CB 3.83Å; I66-E90 HydrophobicContact CB-CG 4.16Å; I66-E90 HydrophobicContact CD1-CB 4.04Å; I66-E90 HydrophobicContact CG1-CB 4.3Å; I66-E90 HydrophobicContact CG2-CB 4.28Å; V88-E90 WeakPolarHBondContact CA-OE2 3.46Å; V88-E90 PolarHBondContact N-OE2 3.09Å
91	L	87.3	Confident	90.8	Very high	3 Å²	3	49.8 Å²	49.8	2%	0.016	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-18.9	176.8	-65.3	178.9	0	0	0	113.8	I66 L77 T87 D89 Q93 L94 L100 F102 V113 L118	I66-L91 HydrophobicContact CD1-CD1 4.43Å; I66-L91 HydrophobicContact CD1-CD2 3.48Å; I66-L91 VanDerWaalsContact CD1-CD2 3.48Å; I66-L91 HydrophobicContact CD1-CG 3.7Å; L77-L91 HydrophobicContact CD2-CD2 4.14Å; T87-L91 HydrophobicContact CG2-CD1 4.21Å; D89-L91 VanDerWaalsContact C-N 3.25Å; D89-L91 PolarHBondContact O-N 3.13Å; D89-L91 VanDerWaalsContact O-N 3.15Å; L91-Q93 PolarHBondContact O-N 3.38Å; L91-L94 HydrophobicContact CD2-CD1 4.03Å; L91-L94 PolarHBondContact O-N 3.42Å; L91-L100 HydrophobicContact CD1-CD2 4.23Å; L91-F102 HydrophobicContact CD1-CE2 4.06Å; L91-F102 HydrophobicContact CD1-CZ 4.27Å; L91-V113 VanDerWaalsContact CD1-O 3.23Å; L91-V113 WeakPolarHBondContact CD1-O 3.46Å; L91-L118 HydrophobicContact CD1-CD1 4.27Å
92	Q	80.8	Confident	90.9	Very high	109 Å²	109	47.9 Å²	47.9	51%	0.509	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-16.1	-170.5	-64.3	176.2	20.8	0	0	113.7	D89	D89-Q92 WeakPolarHBondContact O-CB 3.35Å; D89-Q92 PolarHBondContact O-N 3.03Å; D89-Q92 PolarHBondContact OD1-NE2 3.15Å
93	Q	82.3	Confident	90.9	Very high	148 Å²	148	47.8 Å²	47.8	69%	0.692	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-7.7	178.9	-56.7	-176	21.5	0	0	112.9	L91 F95	L91-Q93 PolarHBondContact O-N 3.38Å; Q93-F95 VanDerWaalsContact O-CD1 3.3Å; Q93-F95 WeakPolarHBondContact O-CD1 3.32Å; Q93-F95 PolarHBondContact O-N 3.09Å
94	L	88.2	Confident	90.9	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.016	24%	0.238	C	C	.	.			trans	-97.4	52.1	-174.4	-53.7	-176.9	0	0	0	111.7	L70 S71 L77 L91 N96 L97	L70-L94 HydrophobicContact CB-CD2 4Å; L70-L94 HydrophobicContact CD1-CD1 3.83Å; S71-L94 VanDerWaalsContact O-CD2 3.26Å; S71-L94 WeakPolarHBondContact O-CD2 3.46Å; L77-L94 HydrophobicContact CD2-CD1 3.83Å; L91-L94 HydrophobicContact CD2-CD1 4.03Å; L91-L94 PolarHBondContact O-N 3.42Å; L94-N96 PolarHBondContact O-N 3.43Å; L94-L97 HydrophobicContact CB-CB 4.36Å; L94-L97 VanDerWaalsContact O-CB 3.26Å; L94-L97 WeakPolarHBondContact O-CB 3.45Å; L94-L97 PolarHBondContact O-N 3.17Å; L94-L97 VanDerWaalsContact O-N 3.17Å
95	F	86.4	Confident	91	Very high	114 Å²	114	47.5 Å²	47.5	50%	0.5	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-16.9	-174.7	56	-93.3	0	0	0	114.5	Q93 Q120	Q93-F95 VanDerWaalsContact O-CD1 3.3Å; Q93-F95 WeakPolarHBondContact O-CD1 3.32Å; Q93-F95 PolarHBondContact O-N 3.09Å; F95-Q120 VanDerWaalsContact O-CG 3.26Å; F95-Q120 WeakPolarHBondContact O-CG 3.38Å
96	N	91.1	Very high	91.1	Very high	56 Å²	56	48.2 Å²	48.2	30%	0.299	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	0.1	177	-72.2	-36.5	0	0	0	114.1	S72 L94 T98	S72-N96 PolarHBondContact O-ND2 3.17Å; L94-N96 PolarHBondContact O-N 3.43Å; N96-T98 PolarHBondContact O-N 3.14Å
97	L	94.2	Very high	91.3	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	21%	0.212	C	C	.	.			trans	-67	121.2	-172.6	-161.9	73.6	0	0	0	111.7	T74 Q75 L77 L94 L100 Q120 L121	T74-L97 HydrophobicContact CG2-CD1 4.12Å; Q75-L97 WeakPolarHBondContact O-CD1 3.33Å; L77-L97 HydrophobicContact CB-CD1 3.71Å; L94-L97 HydrophobicContact CB-CB 4.36Å; L94-L97 VanDerWaalsContact O-CB 3.26Å; L94-L97 WeakPolarHBondContact O-CB 3.45Å; L94-L97 PolarHBondContact O-N 3.17Å; L94-L97 VanDerWaalsContact O-N 3.17Å; L97-L100 HydrophobicContact CD2-CB 3.86Å; L97-L100 HydrophobicContact CD2-CD1 4.14Å; L97-L100 HydrophobicContact CD2-CD2 4Å; L97-L100 HydrophobicContact CD2-CG 4.23Å; L97-Q120 CarbonylContact O-C 3.29Å; L97-Q120 VanDerWaalsContact O-C 3.29Å; L97-L121 HydrophobicContact CD2-CD1 4.18Å; L97-L121 HydrophobicContact CG-CD1 4.14Å; L97-L121 VanDerWaalsContact O-CA 3.31Å; L97-L121 WeakPolarHBondContact O-CA 3.34Å; L97-L121 PolarHBondContact O-N 3.1Å; L97-L121 VanDerWaalsContact O-N 3.17Å
98	T	95.1	Very high	91.5	Very high	24 Å²	24	44.1 Å²	44.1	15%	0.147	22%	0.224	C	C	.	.			trans	-99.6	-30	177	52.9	0	0	0	0	112.5	Q75 N96 T122 T123	Q75-T98 PolarHBondContact O-N 3.02Å; Q75-T98 PolarHBondContact O-OG1 2.65Å; Q75-T98 VanDerWaalsContact O-OG1 3.04Å; N96-T98 PolarHBondContact O-N 3.14Å; T98-T122 PolarHBondContact O-N 3.31Å; T98-T122 PolarHBondContact O-OG1 3.17Å; T98-T122 VanDerWaalsContact O-OG1 3.11Å; T98-T123 PolarHBondContact O-N 2.87Å; T98-T123 VanDerWaalsContact O-N 3.15Å
99	E	96.6	Very high	92.2	Very high	35 Å²	35	41.2 Å²	41.2	16%	0.164	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	134.7	-179	-176.6	162.8	103.9	0	0	111.5	W43 Q75 V76 L77 T123	W43-E99 VanDerWaalsContact NE1-CD 3.32Å; W43-E99 PolarHBondContact NE1-OE1 2.88Å; W43-E99 PolarHBondContact NE1-OE2 2.84Å; Q75-E99 PolarHBondContact O-N 3.21Å; Q75-E99 VanDerWaalsContact O-N 3.07Å; V76-E99 WeakPolarHBondContact CA-O 3.23Å; V76-E99 HydrophobicContact CB-CB 4.47Å; V76-E99 HydrophobicContact CG1-CB 4.14Å; V76-E99 HydrophobicContact CG1-CG 4.22Å; V76-E99 HydrophobicContact CG2-CB 4.16Å; L77-E99 PolarHBondContact N-O 2.96Å; E99-T123 HydrophobicContact CG-CG2 4.14Å; E99-T123 PolarHBondContact OE2-OG1 3.09Å
100	L	96.9	Very high	92.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	119.1	-176.4	177.6	52.8	0	0	0	109.9	L77 L91 L97 F102 L115 L118 L121 T123 L124 H125	L77-L100 HydrophobicContact CB-CD1 4.18Å; L77-L100 HydrophobicContact CD2-CD1 4.06Å; L77-L100 HydrophobicContact CG-CD1 4.2Å; L91-L100 HydrophobicContact CD1-CD2 4.23Å; L97-L100 HydrophobicContact CD2-CB 3.86Å; L97-L100 HydrophobicContact CD2-CD1 4.14Å; L97-L100 HydrophobicContact CD2-CD2 4Å; L97-L100 HydrophobicContact CD2-CG 4.23Å; L100-F102 HydrophobicContact CD1-CD2 3.98Å; L100-F102 HydrophobicContact CD1-CE2 3.77Å; L100-F102 HydrophobicContact CD1-CZ 4.12Å; L100-F102 HydrophobicContact CD2-CD2 4.06Å; L100-F102 HydrophobicContact CD2-CE2 3.75Å; L100-F102 HydrophobicContact CG-CD2 3.88Å; L100-F102 HydrophobicContact CG-CE2 3.92Å; L100-L115 HydrophobicContact CD2-CD2 3.91Å; L100-L118 HydrophobicContact CD2-CD1 4.16Å; L100-L121 HydrophobicContact CB-CD1 3.72Å; L100-L121 HydrophobicContact CB-CD2 4.44Å; L100-T123 PolarHBondContact N-O 2.88Å; L100-L124 HydrophobicContact CB-CD1 4.14Å; L100-L124 HydrophobicContact CD2-CD1 4.15Å; L100-L124 HydrophobicContact CG-CD1 4.08Å; L100-H125 PolarHBondContact O-N 3.23Å
101	D	97.9	Very high	93.3	Very high	18 Å²	18	41.3 Å²	41.3	10%	0.096	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	112.4	177.5	-175.8	4.7	0	0	0	112.3	L77 L78 L79 S103 H125	L77-D101 PolarHBondContact O-N 3.4Å; L78-D101 HydrophobicContact CD2-CB 3.85Å; L79-D101 CarbonylContact C-O 3.18Å; L79-D101 WeakPolarHBondContact CA-O 3.46Å; L79-D101 WeakPolarHBondContact CB-O 3.44Å; L79-D101 PolarHBondContact N-O 2.95Å; D101-S103 WeakPolarHBondContact OD1-CB 3.35Å; D101-S103 PolarHBondContact OD1-N 3.3Å; D101-S103 PolarHBondContact OD1-OG 3.16Å; D101-H125 HydrophobicContact CB-CB 4.19Å; D101-H125 WeakPolarHBondContact OD1-CB 3.36Å
102	F	97.8	Very high	93.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.215	C	C	.	.			trans	-118.3	19.5	173	-81.4	-50.9	0	0	0	112	I66 L79 I84 T87 L91 L100 N105 F107 V113 H125 L126 N129	I66-F102 HydrophobicContact CD1-CE1 4.4Å; I66-F102 HydrophobicContact CD1-CZ 3.89Å; I66-F102 HydrophobicContact CG1-CZ 4.49Å; L79-F102 HydrophobicContact CB-CD1 3.95Å; L79-F102 HydrophobicContact CB-CE1 4.1Å; L79-F102 HydrophobicContact CD1-CD1 4.23Å; L79-F102 HydrophobicContact CD1-CE1 3.54Å; L79-F102 HydrophobicContact CD1-CZ 4.18Å; L79-F102 HydrophobicContact CG-CE1 4.45Å; I84-F102 HydrophobicContact CD1-CD1 4.46Å; I84-F102 HydrophobicContact CD1-CE1 3.99Å; T87-F102 HydrophobicContact CG2-CE2 4.34Å; T87-F102 HydrophobicContact CG2-CZ 3.78Å; L91-F102 HydrophobicContact CD1-CE2 4.06Å; L91-F102 HydrophobicContact CD1-CZ 4.27Å; L100-F102 HydrophobicContact CD1-CD2 3.98Å; L100-F102 HydrophobicContact CD1-CE2 3.77Å; L100-F102 HydrophobicContact CD1-CZ 4.12Å; L100-F102 HydrophobicContact CD2-CD2 4.06Å; L100-F102 HydrophobicContact CD2-CE2 3.75Å; L100-F102 HydrophobicContact CG-CD2 3.88Å; L100-F102 HydrophobicContact CG-CE2 3.92Å; F102-N105 WeakPolarHBondContact O-CB 3.31Å; F102-N105 PolarHBondContact O-ND2 2.9Å; F102-F107 HydrophobicContact CB-CD2 4.38Å; F102-F107 HydrophobicContact CB-CE2 3.82Å; F102-F107 AromaticContact CD1-CE2 3.59Å; F102-F107 HydrophobicContact CD1-CE2 3.59Å; F102-F107 AromaticContact CD1-CZ 3.91Å; F102-F107 HydrophobicContact CD1-CZ 3.91Å; F102-F107 HydrophobicContact CD2-CE2 4.13Å; F102-F107 HydrophobicContact CD2-CZ 4.25Å; F102-F107 HydrophobicContact CE1-CE2 4.07Å; F102-F107 AromaticContact CE1-CZ 3.89Å; F102-F107 HydrophobicContact CE1-CZ 3.89Å; F102-F107 HydrophobicContact CE2-CZ 4.23Å; F102-F107 AromaticContact CG-CE2 3.62Å; F102-F107 HydrophobicContact CG-CE2 3.62Å; F102-F107 HydrophobicContact CG-CZ 4.09Å; F102-F107 HydrophobicContact CZ-CZ 4.07Å; F102-V113 HydrophobicContact CD2-CG1 3.55Å; F102-V113 HydrophobicContact CE2-CG1 3.58Å; F102-H125 CarbonylContact C-O 3.52Å; F102-H125 WeakPolarHBondContact CA-O 3.26Å; F102-H125 PolarHBondContact N-O 2.98Å; F102-L126 HydrophobicContact CB-CD2 3.82Å; F102-L126 HydrophobicContact CD2-CD2 4.43Å; F102-N129 PolarHBondContact O-ND2 3.06Å
103	S	98.1	Very high	94	Very high	4 Å²	4	39.1 Å²	39.1	3%	0.028	19%	0.19	C	C	.	.			trans	-58	151.5	176.6	62.7	0	0	0	0	112	Q80 S81 D101 N105 E127	Q80-S103 WeakPolarHBondContact CA-O 3.22Å; Q80-S103 WeakPolarHBondContact CG-OG 3.33Å; Q80-S103 PolarHBondContact NE2-OG 3.19Å; S81-S103 PolarHBondContact N-O 3.25Å; D101-S103 WeakPolarHBondContact OD1-CB 3.35Å; D101-S103 PolarHBondContact OD1-N 3.3Å; D101-S103 PolarHBondContact OD1-OG 3.16Å; S103-N105 PolarHBondContact O-N 3.17Å; S103-N105 PolarHBondContact O-ND2 3.28Å; S103-E127 CarbonylContact C-O 3.09Å; S103-E127 VanDerWaalsContact CA-O 3.29Å; S103-E127 WeakPolarHBondContact CA-O 3.32Å
104	Q	97.9	Very high	94.4	Very high	71 Å²	71	33.1 Å²	33.1	33%	0.332	17%	0.169	S	C	.	.	S	Bend	trans	52.4	50.1	180	-61.9	176.4	8.8	0	0	113.3	S81 N82 E127 E128	S81-Q104 WeakPolarHBondContact CA-O 3.24Å; S81-Q104 PolarHBondContact OG-OE1 3.32Å; N82-Q104 PolarHBondContact N-O 3.12Å; Q104-E127 PolarHBondContact N-O 2.91Å; Q104-E128 HydrophobicContact CB-CB 4.43Å; Q104-E128 HydrophobicContact CG-CB 3.63Å; Q104-E128 HydrophobicContact CG-CG 4.19Å; Q104-E128 PolarHBondContact NE2-OE1 2.98Å; Q104-E128 PolarHBondContact NE2-OE2 3.27Å
105	N	98	Very high	94.5	Very high	8 Å²	8	33.7 Å²	33.7	4%	0.043	17%	0.171	C	C	.	.	S	Bend	trans	-120.5	-166.8	174.3	-86.7	-92.4	0	0	0	110.9	L79 N82 I84 F102 S103 F107 N129	L79-N105 PolarHBondContact O-ND2 2.82Å; N82-N105 WeakPolarHBondContact CB-OD1 3.26Å; N82-N105 PolarHBondContact O-OD1 3.3Å; I84-N105 VanDerWaalsContact CB-OD1 3.32Å; I84-N105 WeakPolarHBondContact CB-OD1 3.44Å; I84-N105 WeakPolarHBondContact CG1-OD1 3.42Å; I84-N105 PolarHBondContact N-OD1 2.84Å; F102-N105 WeakPolarHBondContact O-CB 3.31Å; F102-N105 PolarHBondContact O-ND2 2.9Å; S103-N105 PolarHBondContact O-N 3.17Å; S103-N105 PolarHBondContact O-ND2 3.28Å; N105-F107 HydrophobicContact CB-CD2 3.94Å; N105-F107 HydrophobicContact CB-CE2 4.05Å; N105-N129 WeakPolarHBondContact CA-OD1 3.36Å; N105-N129 VanDerWaalsContact CB-OD1 3.31Å; N105-N129 WeakPolarHBondContact CB-OD1 3.32Å; N105-N129 PolarHBondContact N-ND2 3.39Å; N105-N129 PolarHBondContact O-OD1 2.96Å
106	N	97.5	Very high	94.6	Very high	57 Å²	57	30.4 Å²	30.4	31%	0.305	17%	0.165	S	C	.	.			trans	-117.9	27.9	-174.1	-149.4	113.1	0	0	0	113	I84 A85 N129 Q130	I84-N106 CarbonylContact O-C 3.58Å; I84-N106 WeakPolarHBondContact O-CA 3.44Å; I84-N106 PolarHBondContact O-N 2.99Å; A85-N106 WeakPolarHBondContact CA-O 3.35Å; A85-N106 HydrophobicContact CB-CB 4.27Å; N106-N129 PolarHBondContact N-OD1 3.34Å; N106-Q130 VanDerWaalsContact CG-NE2 3.26Å; N106-Q130 PolarHBondContact ND2-NE2 2.98Å; N106-Q130 PolarHBondContact ND2-OE1 3.23Å; N106-Q130 PolarHBondContact OD1-NE2 2.99Å
107	F	97.4	Very high	94.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.18	C	C	.	.			trans	-67.5	137.1	176.5	-67.8	-78.4	0	0	0	111.4	I84 A85 T87 F102 N105 E112 V113 N129 Q130 I131	I84-F107 HydrophobicContact CB-CE2 4.28Å; I84-F107 HydrophobicContact CB-CZ 4.14Å; I84-F107 HydrophobicContact CG2-CE1 4.04Å; I84-F107 HydrophobicContact CG2-CE2 4.16Å; I84-F107 HydrophobicContact CG2-CZ 3.52Å; A85-F107 WeakPolarHBondContact O-CD1 3.39Å; T87-F107 HydrophobicContact CG2-CE1 4.13Å; T87-F107 HydrophobicContact CG2-CZ 4.07Å; F102-F107 HydrophobicContact CB-CD2 4.38Å; F102-F107 HydrophobicContact CB-CE2 3.82Å; F102-F107 AromaticContact CD1-CE2 3.59Å; F102-F107 HydrophobicContact CD1-CE2 3.59Å; F102-F107 AromaticContact CD1-CZ 3.91Å; F102-F107 HydrophobicContact CD1-CZ 3.91Å; F102-F107 HydrophobicContact CD2-CE2 4.13Å; F102-F107 HydrophobicContact CD2-CZ 4.25Å; F102-F107 HydrophobicContact CE1-CE2 4.07Å; F102-F107 AromaticContact CE1-CZ 3.89Å; F102-F107 HydrophobicContact CE1-CZ 3.89Å; F102-F107 HydrophobicContact CE2-CZ 4.23Å; F102-F107 AromaticContact CG-CE2 3.62Å; F102-F107 HydrophobicContact CG-CE2 3.62Å; F102-F107 HydrophobicContact CG-CZ 4.09Å; F102-F107 HydrophobicContact CZ-CZ 4.07Å; N105-F107 HydrophobicContact CB-CD2 3.94Å; N105-F107 HydrophobicContact CB-CE2 4.05Å; F107-E112 HydrophobicContact CD1-CB 4.21Å; F107-E112 WeakPolarHBondContact CE1-O 3.45Å; F107-V113 HydrophobicContact CB-CG2 4.3Å; F107-V113 HydrophobicContact CD1-CB 4.43Å; F107-V113 HydrophobicContact CD1-CG2 3.75Å; F107-V113 HydrophobicContact CD2-CG2 4.43Å; F107-V113 HydrophobicContact CE1-CB 4.32Å; F107-V113 HydrophobicContact CE1-CG2 4.1Å; F107-V113 HydrophobicContact CG-CG2 3.92Å; F107-N129 WeakPolarHBondContact CD2-OD1 3.5Å; F107-N129 PolarHBondContact N-OD1 3.42Å; F107-Q130 CarbonylContact O-C 3.48Å; F107-Q130 WeakPolarHBondContact O-CA 3.25Å; F107-Q130 PolarHBondContact O-N 3.09Å; F107-I131 HydrophobicContact CB-CG1 4.4Å; F107-I131 PolarHBondContact O-N 3.03Å
108	T	95.9	Very high	94.1	Very high	54 Å²	54	33.3 Å²	33.3	33%	0.331	18%	0.181	S	C	.	.			trans	-111.1	-21.6	-177.9	77.7	0	0	0	0	113.9	E112 Q130 I131 T132	T108-E112 WeakPolarHBondContact CA-OE2 3.47Å; T108-E112 WeakPolarHBondContact CB-OE2 3.44Å; T108-E112 PolarHBondContact N-OE2 3.32Å; T108-E112 PolarHBondContact OG1-OE2 3.46Å; T108-Q130 HydrophobicContact CG2-CB 4.45Å; T108-I131 WeakPolarHBondContact O-CA 3.32Å; T108-T132 PolarHBondContact O-N 3.19Å; T108-T132 PolarHBondContact O-OG1 2.89Å
109	N	94.8	Very high	93.9	Very high	26 Å²	26	35 Å²	35	14%	0.139	19%	0.191	C	C	.	.	S	Bend	trans	-142.1	143.9	173.3	-165	-72.2	0	0	0	110.5	K111 E112 E133	N109-K111 PolarHBondContact O-N 3.31Å; N109-K111 VanDerWaalsContact O-N 3.11Å; N109-K111 WeakPolarHBondContact OD1-CB 3.26Å; N109-K111 PolarHBondContact OD1-N 2.82Å; N109-K111 VanDerWaalsContact OD1-N 3.08Å; N109-E112 HydrophobicContact CB-CG 4.23Å; N109-E112 PolarHBondContact N-OE2 3.42Å; N109-E112 WeakPolarHBondContact O-CB 3.34Å; N109-E112 PolarHBondContact O-N 3.03Å; N109-E133 PolarHBondContact ND2-OE1 3.3Å; N109-E133 VanDerWaalsContact ND2-OE1 3.16Å
110	I	93.9	Very high	93.7	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-56.4	-31	178.8	-68.5	175.3	0	0	0	112.3	E112 V113 L115 I131 M134 C138 L139 I150	I110-E112 PolarHBondContact O-N 2.98Å; I110-V113 WeakPolarHBondContact O-CB 3.4Å; I110-V113 WeakPolarHBondContact O-CG2 3.34Å; I110-V113 PolarHBondContact O-N 3.15Å; I110-L115 HydrophobicContact CG2-CD1 4.11Å; I110-I131 HydrophobicContact CG1-CD1 4.19Å; I110-I131 HydrophobicContact CG1-CG2 4.11Å; I110-M134 HydrophobicContact CD1-CB 4.42Å; I110-M134 HydrophobicContact CD1-CE 3.63Å; I110-M134 HydrophobicContact CD1-CG 3.75Å; I110-M134 HydrophobicContact CD1-SD 4.17Å; I110-C138 HydrophobicContact CB-CB 4.3Å; I110-C138 HydrophobicContact CG2-CB 4.03Å; I110-C138 WeakPolarHBondContact CG2-O 3.47Å; I110-L139 HydrophobicContact CD1-CD1 4.46Å; I110-L139 HydrophobicContact CG2-CD2 3.54Å; I110-L139 HydrophobicContact CG2-CG 4.14Å; I110-I150 HydrophobicContact CD1-CD1 3.76Å; I110-I150 HydrophobicContact CG1-CD1 4.15Å
111	K	90.5	Very high	93.7	Very high	135 Å²	135	37.8 Å²	37.8	59%	0.587	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-64.4	-24.1	177	-67.5	173	-175.8	162.2	0	113.4	N109 V113 T135	N109-K111 PolarHBondContact O-N 3.31Å; N109-K111 VanDerWaalsContact O-N 3.11Å; N109-K111 WeakPolarHBondContact OD1-CB 3.26Å; N109-K111 PolarHBondContact OD1-N 2.82Å; N109-K111 VanDerWaalsContact OD1-N 3.08Å; K111-V113 VanDerWaalsContact C-N 3.26Å; K111-V113 PolarHBondContact O-N 3.29Å; K111-T135 WeakPolarHBondContact CE-OG1 3.32Å; K111-T135 PolarHBondContact NZ-OG1 3.47Å
112	E	91.1	Very high	93.6	Very high	65 Å²	65	37.8 Å²	37.8	30%	0.304	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-76.5	-14.3	176.1	-59	179.7	125.8	0	0	112.4	K86 T87 F107 T108 N109 I110 G114	K86-E112 CarbonylContact C-O 3.5Å; K86-E112 VanDerWaalsContact CA-O 3.25Å; K86-E112 WeakPolarHBondContact CA-O 3.48Å; K86-E112 HydrophobicContact CB-CB 3.93Å; T87-E112 PolarHBondContact N-O 3.31Å; T87-E112 PolarHBondContact OG1-O 3.42Å; F107-E112 HydrophobicContact CD1-CB 4.21Å; F107-E112 WeakPolarHBondContact CE1-O 3.45Å; T108-E112 WeakPolarHBondContact CA-OE2 3.47Å; T108-E112 WeakPolarHBondContact CB-OE2 3.44Å; T108-E112 PolarHBondContact N-OE2 3.32Å; T108-E112 PolarHBondContact OG1-OE2 3.46Å; N109-E112 HydrophobicContact CB-CG 4.23Å; N109-E112 PolarHBondContact N-OE2 3.42Å; N109-E112 WeakPolarHBondContact O-CB 3.34Å; N109-E112 PolarHBondContact O-N 3.03Å; I110-E112 PolarHBondContact O-N 2.98Å; E112-G114 VanDerWaalsContact C-N 3.35Å
113	V	92.5	Very high	93.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-77.1	-22.1	178.2	-169.7	0	0	0	0	111.7	T87 L91 F102 F107 I110 K111 L115 L126	T87-V113 VanDerWaalsContact CG2-O 3.32Å; T87-V113 WeakPolarHBondContact CG2-O 3.32Å; T87-V113 PolarHBondContact OG1-O 3.42Å; L91-V113 VanDerWaalsContact CD1-O 3.23Å; L91-V113 WeakPolarHBondContact CD1-O 3.46Å; F102-V113 HydrophobicContact CD2-CG1 3.55Å; F102-V113 HydrophobicContact CE2-CG1 3.58Å; F107-V113 HydrophobicContact CB-CG2 4.3Å; F107-V113 HydrophobicContact CD1-CB 4.43Å; F107-V113 HydrophobicContact CD1-CG2 3.75Å; F107-V113 HydrophobicContact CD2-CG2 4.43Å; F107-V113 HydrophobicContact CE1-CB 4.32Å; F107-V113 HydrophobicContact CE1-CG2 4.1Å; F107-V113 HydrophobicContact CG-CG2 3.92Å; I110-V113 WeakPolarHBondContact O-CB 3.4Å; I110-V113 WeakPolarHBondContact O-CG2 3.34Å; I110-V113 PolarHBondContact O-N 3.15Å; K111-V113 VanDerWaalsContact C-N 3.26Å; K111-V113 PolarHBondContact O-N 3.29Å; V113-L115 HydrophobicContact CB-CD1 3.98Å; V113-L115 HydrophobicContact CB-CG 3.91Å; V113-L115 HydrophobicContact CG1-CD1 3.93Å; V113-L115 HydrophobicContact CG1-CD2 3.74Å; V113-L115 HydrophobicContact CG1-CG 3.67Å; V113-L126 HydrophobicContact CG1-CD2 4.09Å; V113-L126 HydrophobicContact CG2-CD2 3.92Å
114	G	89.9	Confident	93.6	Very high	23 Å²	23	37.7 Å²	37.7	24%	0.237	20%	0.204	C	C	.	.			trans	72.2	33.3	172.9	0	0	0	0	0	115.1	T87 E112 A116	T87-G114 WeakPolarHBondContact OG1-CA 3.25Å; T87-G114 PolarHBondContact OG1-N 3.32Å; E112-G114 VanDerWaalsContact C-N 3.35Å; G114-A116 PolarHBondContact O-N 3.5Å
115	L	91.2	Very high	93.6	Very high	14 Å²	14	36.1 Å²	36.1	7%	0.073	20%	0.197	C	C	.	.			trans	-71.8	14.9	-172	-62.6	163.4	0	0	0	115.5	L100 I110 V113 L118 L124 L139 L142	L100-L115 HydrophobicContact CD2-CD2 3.91Å; I110-L115 HydrophobicContact CG2-CD1 4.11Å; V113-L115 HydrophobicContact CB-CD1 3.98Å; V113-L115 HydrophobicContact CB-CG 3.91Å; V113-L115 HydrophobicContact CG1-CD1 3.93Å; V113-L115 HydrophobicContact CG1-CD2 3.74Å; V113-L115 HydrophobicContact CG1-CG 3.67Å; L115-L118 HydrophobicContact CD2-CD1 4.03Å; L115-L124 HydrophobicContact CD1-CD2 3.74Å; L115-L124 HydrophobicContact CD2-CD1 4.13Å; L115-L124 HydrophobicContact CD2-CD2 3.98Å; L115-L139 HydrophobicContact CD1-CD2 3.69Å; L115-L142 HydrophobicContact CB-CD1 4.36Å; L115-L142 HydrophobicContact CB-CD2 4.36Å; L115-L142 HydrophobicContact CD1-CD1 4.24Å
116	A	87.5	Confident	93.6	Very high	45 Å²	45	35.7 Å²	35.7	37%	0.372	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	141.4	-174.5	0	0	0	0	0	112.1	G114 L118 D141	G114-A116 PolarHBondContact O-N 3.5Å; A116-L118 PolarHBondContact O-N 2.99Å; A116-D141 WeakPolarHBondContact CA-OD2 3.44Å
117	N	84.4	Confident	93.6	Very high	114 Å²	114	34.4 Å²	34.4	61%	0.61	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	6.3	-178.9	-58.2	-54.4	0	0	0	117.2	T119 D141	N117-T119 PolarHBondContact O-N 3.44Å; N117-D141 PolarHBondContact N-OD2 2.98Å
118	L	91.2	Very high	93.6	Very high	5 Å²	5	39 Å²	39	3%	0.026	21%	0.208	C	C	.	.			trans	-75.2	56.5	178.8	-62.3	-177.1	0	0	0	112.7	L91 L100 L115 A116 Q120 L121 L142	L91-L118 HydrophobicContact CD1-CD1 4.27Å; L100-L118 HydrophobicContact CD2-CD1 4.16Å; L115-L118 HydrophobicContact CD2-CD1 4.03Å; A116-L118 PolarHBondContact O-N 2.99Å; L118-Q120 VanDerWaalsContact C-N 3.27Å; L118-Q120 PolarHBondContact O-N 3.26Å; L118-L121 HydrophobicContact CB-CB 4.41Å; L118-L121 WeakPolarHBondContact O-CB 3.32Å; L118-L121 PolarHBondContact O-N 3.38Å; L118-L142 HydrophobicContact CB-CD2 3.79Å; L118-L142 WeakPolarHBondContact O-CD2 3.43Å
119	T	90.8	Very high	93.7	Very high	58 Å²	58	36.8 Å²	36.8	36%	0.356	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-18.5	-169.8	62.4	0	0	0	0	114.8	N117 N144	N117-T119 PolarHBondContact O-N 3.44Å; T119-N144 WeakPolarHBondContact O-CB 3.46Å; T119-N144 PolarHBondContact O-ND2 3.04Å
120	Q	93.3	Very high	93.9	Very high	95 Å²	95	38.9 Å²	38.9	44%	0.444	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-8.3	178.5	-59.2	-51.8	-70.8	0	0	113.6	F95 L97 L118 T122	F95-Q120 VanDerWaalsContact O-CG 3.26Å; F95-Q120 WeakPolarHBondContact O-CG 3.38Å; L97-Q120 CarbonylContact O-C 3.29Å; L97-Q120 VanDerWaalsContact O-C 3.29Å; L118-Q120 VanDerWaalsContact C-N 3.27Å; L118-Q120 PolarHBondContact O-N 3.26Å; Q120-T122 PolarHBondContact O-N 2.93Å
121	L	95.6	Very high	94.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.203	C	C	.	.			trans	-65.8	121	-174.3	-162.6	73.7	0	0	0	110.8	L97 L100 L118 L124 L142 N144 L145	L97-L121 HydrophobicContact CD2-CD1 4.18Å; L97-L121 HydrophobicContact CG-CD1 4.14Å; L97-L121 VanDerWaalsContact O-CA 3.31Å; L97-L121 WeakPolarHBondContact O-CA 3.34Å; L97-L121 PolarHBondContact O-N 3.1Å; L97-L121 VanDerWaalsContact O-N 3.17Å; L100-L121 HydrophobicContact CB-CD1 3.72Å; L100-L121 HydrophobicContact CB-CD2 4.44Å; L118-L121 HydrophobicContact CB-CB 4.41Å; L118-L121 WeakPolarHBondContact O-CB 3.32Å; L118-L121 PolarHBondContact O-N 3.38Å; L121-L124 HydrophobicContact CD2-CB 4.02Å; L121-L124 HydrophobicContact CD2-CD1 4.32Å; L121-L124 HydrophobicContact CD2-CD2 4.35Å; L121-L124 HydrophobicContact CD2-CG 4.46Å; L121-L142 HydrophobicContact CB-CD2 4.36Å; L121-L142 HydrophobicContact CD2-CD1 4.36Å; L121-L142 HydrophobicContact CD2-CD2 4.08Å; L121-N144 CarbonylContact O-C 3.33Å; L121-L145 HydrophobicContact CD2-CD1 4.12Å; L121-L145 HydrophobicContact CG-CD1 4.11Å; L121-L145 VanDerWaalsContact O-CA 3.24Å; L121-L145 WeakPolarHBondContact O-CA 3.28Å; L121-L145 PolarHBondContact O-N 3.06Å; L121-L145 VanDerWaalsContact O-N 3.14Å
122	T	96.5	Very high	94.4	Very high	17 Å²	17	35.3 Å²	35.3	10%	0.104	19%	0.193	C	C	.	.			trans	-100	-29.7	176.2	61.2	0	0	0	0	112.5	T98 Q120 Q146 E147	T98-T122 PolarHBondContact O-N 3.31Å; T98-T122 PolarHBondContact O-OG1 3.17Å; T98-T122 VanDerWaalsContact O-OG1 3.11Å; Q120-T122 PolarHBondContact O-N 2.93Å; T122-Q146 PolarHBondContact O-N 2.98Å; T122-E147 PolarHBondContact O-N 3.23Å
123	T	97.4	Very high	94.7	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.012	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	129.4	-172	-45.3	0	0	0	0	109.9	T98 E99 L100 H125 E147 Y149	T98-T123 PolarHBondContact O-N 2.87Å; T98-T123 VanDerWaalsContact O-N 3.15Å; E99-T123 HydrophobicContact CG-CG2 4.14Å; E99-T123 PolarHBondContact OE2-OG1 3.09Å; L100-T123 PolarHBondContact N-O 2.88Å; T123-H125 WeakPolarHBondContact CG2-NE2 3.32Å; T123-E147 HydrophobicContact CG2-CB 4.28Å; T123-Y149 HydrophobicContact CG2-CE2 4.38Å
124	L	97.8	Very high	94.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	120	177.5	177	57.4	0	0	0	111.4	L100 L115 L121 L126 L142 L145 E147 L148 Y149	L100-L124 HydrophobicContact CB-CD1 4.14Å; L100-L124 HydrophobicContact CD2-CD1 4.15Å; L100-L124 HydrophobicContact CG-CD1 4.08Å; L115-L124 HydrophobicContact CD1-CD2 3.74Å; L115-L124 HydrophobicContact CD2-CD1 4.13Å; L115-L124 HydrophobicContact CD2-CD2 3.98Å; L121-L124 HydrophobicContact CD2-CB 4.02Å; L121-L124 HydrophobicContact CD2-CD1 4.32Å; L121-L124 HydrophobicContact CD2-CD2 4.35Å; L121-L124 HydrophobicContact CD2-CG 4.46Å; L124-L126 HydrophobicContact CD1-CD1 4.41Å; L124-L126 HydrophobicContact CD1-CG 4.17Å; L124-L126 HydrophobicContact CD2-CD1 3.97Å; L124-L126 HydrophobicContact CG-CD1 4.09Å; L124-L126 HydrophobicContact CG-CG 4.17Å; L124-L142 HydrophobicContact CD2-CD1 3.93Å; L124-L145 HydrophobicContact CB-CD1 3.85Å; L124-E147 PolarHBondContact N-O 2.92Å; L124-E147 VanDerWaalsContact N-O 3.12Å; L124-L148 HydrophobicContact CB-CD1 4.22Å; L124-L148 HydrophobicContact CD2-CD1 3.97Å; L124-L148 HydrophobicContact CG-CD1 4.12Å; L124-Y149 PolarHBondContact O-N 2.85Å
125	H	98.4	Very high	95.2	Very high	38 Å²	38	35.8 Å²	35.8	18%	0.176	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	123.8	175.5	-65.4	-87.9	0	0	0	111.3	L100 D101 F102 T123 E127 Y149	L100-H125 PolarHBondContact O-N 3.23Å; D101-H125 HydrophobicContact CB-CB 4.19Å; D101-H125 WeakPolarHBondContact OD1-CB 3.36Å; F102-H125 CarbonylContact C-O 3.52Å; F102-H125 WeakPolarHBondContact CA-O 3.26Å; F102-H125 PolarHBondContact N-O 2.98Å; T123-H125 WeakPolarHBondContact CG2-NE2 3.32Å; H125-E127 VanDerWaalsContact C-OE2 3.31Å; H125-E127 WeakPolarHBondContact CA-OE2 3.44Å; H125-E127 WeakPolarHBondContact CB-OE2 3.37Å; H125-E127 IonicContact CE1-OE1 2.65Å; H125-E127 IonicContact CG-OE1 3.85Å; H125-E127 IonicContact CG-OE2 3.24Å; H125-E127 IonicContact ND1-OE1 2.83Å; H125-E127 PolarHBondContact ND1-OE1 3.03Å; H125-E127 IonicContact ND1-OE2 2.76Å; H125-E127 PolarHBondContact ND1-OE2 2.94Å; H125-Y149 AromaticContact CE1-CD2 3.24Å; H125-Y149 WeakPolarHBondContact CE1-CD2 3.48Å; H125-Y149 AromaticContact CE1-CE2 3.39Å; H125-Y149 WeakPolarHBondContact CE1-CE2 3.42Å; H125-Y149 AromaticContact CE1-CG 3.87Å; H125-Y149 AromaticContact ND1-CD2 3.38Å; H125-Y149 WeakPolarHBondContact ND1-CD2 3.25Å; H125-Y149 AromaticContact ND1-CG 3.68Å; H125-Y149 AromaticContact NE2-CD2 3.87Å; H125-Y149 AromaticContact NE2-CE2 3.9Å
126	L	98.1	Very high	95.4	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.			trans	-137.2	18.7	179.6	-72.2	170.3	0	0	0	111.5	F102 V113 L124 N129 I131 Y149 I150 N153	F102-L126 HydrophobicContact CB-CD2 3.82Å; F102-L126 HydrophobicContact CD2-CD2 4.43Å; V113-L126 HydrophobicContact CG1-CD2 4.09Å; V113-L126 HydrophobicContact CG2-CD2 3.92Å; L124-L126 HydrophobicContact CD1-CD1 4.41Å; L124-L126 HydrophobicContact CD1-CG 4.17Å; L124-L126 HydrophobicContact CD2-CD1 3.97Å; L124-L126 HydrophobicContact CG-CD1 4.09Å; L124-L126 HydrophobicContact CG-CG 4.17Å; L126-N129 PolarHBondContact O-ND2 2.89Å; L126-I131 HydrophobicContact CB-CD1 4.34Å; L126-I131 HydrophobicContact CD1-CD1 4.35Å; L126-Y149 WeakPolarHBondContact CA-O 3.33Å; L126-Y149 WeakPolarHBondContact CB-O 3.48Å; L126-Y149 PolarHBondContact N-O 2.79Å; L126-I150 HydrophobicContact CB-CB 4.46Å; L126-I150 HydrophobicContact CB-CG1 4.03Å; L126-I150 HydrophobicContact CD1-CD1 4.28Å; L126-N153 PolarHBondContact O-ND2 3.19Å
127	E	97.9	Very high	95.8	Very high	29 Å²	29	41.5 Å²	41.5	14%	0.136	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	154.3	178.6	-61.2	92.3	127	0	0	112.2	S103 Q104 H125 N129 Y149 N151	S103-E127 CarbonylContact C-O 3.09Å; S103-E127 VanDerWaalsContact CA-O 3.29Å; S103-E127 WeakPolarHBondContact CA-O 3.32Å; Q104-E127 PolarHBondContact N-O 2.91Å; H125-E127 VanDerWaalsContact C-OE2 3.31Å; H125-E127 WeakPolarHBondContact CA-OE2 3.44Å; H125-E127 WeakPolarHBondContact CB-OE2 3.37Å; H125-E127 IonicContact CE1-OE1 2.65Å; H125-E127 IonicContact CG-OE1 3.85Å; H125-E127 IonicContact CG-OE2 3.24Å; H125-E127 IonicContact ND1-OE1 2.83Å; H125-E127 PolarHBondContact ND1-OE1 3.03Å; H125-E127 IonicContact ND1-OE2 2.76Å; H125-E127 PolarHBondContact ND1-OE2 2.94Å; E127-N129 PolarHBondContact O-N 3Å; E127-N129 PolarHBondContact O-ND2 2.95Å; E127-Y149 VanDerWaalsContact OE1-CB 3.27Å; E127-Y149 WeakPolarHBondContact OE1-CB 3.39Å; E127-Y149 VanDerWaalsContact OE2-CB 3.27Å; E127-Y149 WeakPolarHBondContact OE2-CB 2.91Å; E127-N151 WeakPolarHBondContact CA-O 3.47Å; E127-N151 WeakPolarHBondContact CG-ND2 3.21Å; E127-N151 WeakPolarHBondContact CG-OD1 3.43Å
128	E	97.9	Very high	96.3	Very high	98 Å²	98	37 Å²	37	46%	0.458	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	32.4	171.2	-63.4	-176.8	-111.8	0	0	114.1	Q104 N151 H152	Q104-E128 HydrophobicContact CB-CB 4.43Å; Q104-E128 HydrophobicContact CG-CB 3.63Å; Q104-E128 HydrophobicContact CG-CG 4.19Å; Q104-E128 PolarHBondContact NE2-OE1 2.98Å; Q104-E128 PolarHBondContact NE2-OE2 3.27Å; E128-N151 PolarHBondContact N-O 3.28Å; E128-H152 WeakPolarHBondContact CA-O 3.46Å; E128-H152 HydrophobicContact CB-CB 4.45Å; E128-H152 HydrophobicContact CG-CB 3.68Å
129	N	98.1	Very high	96.4	Very high	6 Å²	6	36.9 Å²	36.9	3%	0.032	18%	0.183	C	C	.	.	S	Bend	trans	-101	-172.5	173.7	-87.6	-94.9	0	0	0	111.2	F102 N105 N106 F107 L126 E127 I131 N153	F102-N129 PolarHBondContact O-ND2 3.06Å; N105-N129 WeakPolarHBondContact CA-OD1 3.36Å; N105-N129 VanDerWaalsContact CB-OD1 3.31Å; N105-N129 WeakPolarHBondContact CB-OD1 3.32Å; N105-N129 PolarHBondContact N-ND2 3.39Å; N105-N129 PolarHBondContact O-OD1 2.96Å; N106-N129 PolarHBondContact N-OD1 3.34Å; F107-N129 WeakPolarHBondContact CD2-OD1 3.5Å; F107-N129 PolarHBondContact N-OD1 3.42Å; L126-N129 PolarHBondContact O-ND2 2.89Å; E127-N129 PolarHBondContact O-N 3Å; E127-N129 PolarHBondContact O-ND2 2.95Å; N129-I131 HydrophobicContact CB-CD1 4.46Å; N129-I131 HydrophobicContact CB-CG1 4.27Å; N129-N153 WeakPolarHBondContact CA-OD1 3.29Å; N129-N153 WeakPolarHBondContact CB-OD1 3.39Å; N129-N153 PolarHBondContact O-OD1 2.71Å
130	Q	97.6	Very high	96.5	Very high	71 Å²	71	39.1 Å²	39.1	33%	0.332	19%	0.19	S	C	.	.			trans	-110.9	24.8	-175.5	-63.6	170.4	26.7	0	0	112.1	N106 F107 T108 T132 N153	N106-Q130 VanDerWaalsContact CG-NE2 3.26Å; N106-Q130 PolarHBondContact ND2-NE2 2.98Å; N106-Q130 PolarHBondContact ND2-OE1 3.23Å; N106-Q130 PolarHBondContact OD1-NE2 2.99Å; F107-Q130 CarbonylContact O-C 3.48Å; F107-Q130 WeakPolarHBondContact O-CA 3.25Å; F107-Q130 PolarHBondContact O-N 3.09Å; T108-Q130 HydrophobicContact CG2-CB 4.45Å; Q130-T132 PolarHBondContact O-N 2.91Å; Q130-N153 PolarHBondContact N-OD1 3.28Å
131	I	98.1	Very high	96.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.186	C	C	.	.			trans	-67.3	127.3	-175	-57.2	172.2	0	0	0	109.9	F107 T108 I110 L126 N129 I150 N153 Q154 I155	F107-I131 HydrophobicContact CB-CG1 4.4Å; F107-I131 PolarHBondContact O-N 3.03Å; T108-I131 WeakPolarHBondContact O-CA 3.32Å; I110-I131 HydrophobicContact CG1-CD1 4.19Å; I110-I131 HydrophobicContact CG1-CG2 4.11Å; L126-I131 HydrophobicContact CB-CD1 4.34Å; L126-I131 HydrophobicContact CD1-CD1 4.35Å; N129-I131 HydrophobicContact CB-CD1 4.46Å; N129-I131 HydrophobicContact CB-CG1 4.27Å; I131-I150 HydrophobicContact CD1-CD1 3.84Å; I131-I150 HydrophobicContact CD1-CG1 4.11Å; I131-N153 HydrophobicContact CB-CB 4.42Å; I131-N153 VanDerWaalsContact CB-OD1 3.25Å; I131-N153 WeakPolarHBondContact CB-OD1 3.28Å; I131-N153 WeakPolarHBondContact CG1-OD1 3.22Å; I131-N153 PolarHBondContact N-OD1 3.02Å; I131-Q154 CarbonylContact O-C 3.57Å; I131-Q154 VanDerWaalsContact O-CA 3.28Å; I131-Q154 WeakPolarHBondContact O-CA 3.46Å; I131-Q154 PolarHBondContact O-N 3.17Å; I131-I155 HydrophobicContact CB-CG1 4.32Å; I131-I155 HydrophobicContact CG2-CD1 4.29Å; I131-I155 HydrophobicContact CG2-CG1 4.07Å; I131-I155 WeakPolarHBondContact O-CG1 3.26Å; I131-I155 PolarHBondContact O-N 2.78Å
132	T	97.2	Very high	96.3	Very high	62 Å²	62	37.9 Å²	37.9	38%	0.38	19%	0.186	S	C	.	.			trans	-105.6	-24.1	-169.8	51.1	0	0	0	0	115.1	T108 Q130 Q154 I155 S156	T108-T132 PolarHBondContact O-N 3.19Å; T108-T132 PolarHBondContact O-OG1 2.89Å; Q130-T132 PolarHBondContact O-N 2.91Å; T132-Q154 HydrophobicContact CG2-CB 4.26Å; T132-I155 WeakPolarHBondContact O-CA 3.28Å; T132-S156 PolarHBondContact O-N 3.33Å; T132-S156 PolarHBondContact O-OG 3.48Å; T132-S156 VanDerWaalsContact O-OG 3.1Å
133	E	96.8	Very high	96.1	Very high	74 Å²	74	39.4 Å²	39.4	35%	0.346	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	158.2	-178.4	58.7	166	-151.3	0	0	111.6	N109 T135 T157	N109-E133 PolarHBondContact ND2-OE1 3.3Å; N109-E133 VanDerWaalsContact ND2-OE1 3.16Å; E133-T135 VanDerWaalsContact OE1-CG2 3.27Å; E133-T135 WeakPolarHBondContact OE1-CG2 3.42Å; E133-T157 WeakPolarHBondContact CA-O 3.48Å; E133-T157 WeakPolarHBondContact CB-OG1 3.38Å
134	M	97.1	Very high	96	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	111.8	165	-58.1	-174.3	58.9	0	0	109.7	I110 L139 I150 I155 T157 I158 S159 A162 F163 L174	I110-M134 HydrophobicContact CD1-CB 4.42Å; I110-M134 HydrophobicContact CD1-CE 3.63Å; I110-M134 HydrophobicContact CD1-CG 3.75Å; I110-M134 HydrophobicContact CD1-SD 4.17Å; M134-L139 HydrophobicContact CE-CD1 3.84Å; M134-I150 HydrophobicContact SD-CD1 4.45Å; M134-I155 HydrophobicContact CG-CD1 4.15Å; M134-I155 HydrophobicContact CG-CG2 4.26Å; M134-I155 HydrophobicContact SD-CD1 4.15Å; M134-T157 PolarHBondContact N-O 3.49Å; M134-I158 HydrophobicContact CB-CB 4.39Å; M134-I158 HydrophobicContact CB-CG1 4.16Å; M134-I158 HydrophobicContact CB-CG2 4.18Å; M134-I158 HydrophobicContact CG-CG1 4.13Å; M134-I158 HydrophobicContact SD-CD1 4.14Å; M134-I158 HydrophobicContact SD-CG1 4.06Å; M134-S159 WeakPolarHBondContact O-CB 3.45Å; M134-S159 PolarHBondContact O-N 3.42Å; M134-S159 PolarHBondContact O-OG 3.45Å; M134-A162 HydrophobicContact CB-CB 3.89Å; M134-A162 HydrophobicContact CE-CB 4.4Å; M134-F163 HydrophobicContact CE-CD1 4Å; M134-F163 HydrophobicContact CE-CE1 3.39Å; M134-F163 HydrophobicContact CE-CZ 3.8Å; M134-F163 HydrophobicContact SD-CE1 4.09Å; M134-F163 HydrophobicContact SD-CZ 3.95Å; M134-L174 HydrophobicContact SD-CD2 4.47Å
135	T	96.2	Very high	95.9	Very high	23 Å²	23	42.2 Å²	42.2	14%	0.141	21%	0.212	C	C	.	.			trans	-80.5	159	177.8	74.3	0	0	0	0	111.4	K111 E133 Y137 C138 S159 A162	K111-T135 WeakPolarHBondContact CE-OG1 3.32Å; K111-T135 PolarHBondContact NZ-OG1 3.47Å; E133-T135 VanDerWaalsContact OE1-CG2 3.27Å; E133-T135 WeakPolarHBondContact OE1-CG2 3.42Å; T135-Y137 PolarHBondContact O-N 2.85Å; T135-C138 WeakPolarHBondContact O-CB 3.26Å; T135-C138 PolarHBondContact O-N 3.11Å; T135-C138 PolarHBondContact O-SG 2.81Å; T135-S159 WeakPolarHBondContact CA-OG 3.35Å; T135-A162 WeakPolarHBondContact O-CA 3.48Å
136	D	96.1	Very high	95.9	Very high	61 Å²	61	41.8 Å²	41.8	33%	0.326	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	139.6	170.4	-81.5	-4.1	0	0	0	111.9	C138 S159 A160 N161	D136-C138 PolarHBondContact O-N 3.31Å; D136-C138 VanDerWaalsContact O-N 3.14Å; D136-S159 WeakPolarHBondContact OD1-CB 3.46Å; D136-A160 PolarHBondContact OD1-N 3.03Å; D136-N161 HydrophobicContact CB-CB 4.08Å; D136-N161 WeakPolarHBondContact OD1-CA 3.15Å; D136-N161 WeakPolarHBondContact OD1-CB 3.37Å; D136-N161 PolarHBondContact OD1-N 3.03Å; D136-N161 PolarHBondContact OD2-ND2 2.98Å
137	Y	94.6	Very high	95.9	Very high	118 Å²	118	42.8 Å²	42.8	46%	0.463	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	13.8	176.6	-48.4	-68.8	0	0	0	116.8	T135 L139 Q140 N161 A164	T135-Y137 PolarHBondContact O-N 2.85Å; Y137-L139 PolarHBondContact O-N 3.07Å; Y137-Q140 WeakPolarHBondContact O-CB 3.42Å; Y137-Q140 PolarHBondContact O-N 3.15Å; Y137-N161 HydrophobicContact CD1-CB 4.41Å; Y137-N161 HydrophobicContact CE1-CB 3.87Å; Y137-N161 HydrophobicContact CE2-CB 4.31Å; Y137-N161 PolarHBondContact N-O 3.12Å; Y137-A164 HydrophobicContact CD1-CB 3.81Å; Y137-A164 HydrophobicContact CE1-CB 3.75Å
138	C	94.9	Very high	95.9	Very high	19 Å²	19	41.4 Å²	41.4	13%	0.128	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-11.5	-175.4	63.5	0	0	0	0	115.6	I110 T135 D136	I110-C138 HydrophobicContact CB-CB 4.3Å; I110-C138 HydrophobicContact CG2-CB 4.03Å; I110-C138 WeakPolarHBondContact CG2-O 3.47Å; T135-C138 WeakPolarHBondContact O-CB 3.26Å; T135-C138 PolarHBondContact O-N 3.11Å; T135-C138 PolarHBondContact O-SG 2.81Å; D136-C138 PolarHBondContact O-N 3.31Å; D136-C138 VanDerWaalsContact O-N 3.14Å
139	L	94.7	Very high	95.9	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.016	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.8	19.7	179	-61.2	168.7	0	0	0	112.6	I110 L115 M134 Y137 D141 L142 L148 L166	I110-L139 HydrophobicContact CD1-CD1 4.46Å; I110-L139 HydrophobicContact CG2-CD2 3.54Å; I110-L139 HydrophobicContact CG2-CG 4.14Å; L115-L139 HydrophobicContact CD1-CD2 3.69Å; M134-L139 HydrophobicContact CE-CD1 3.84Å; Y137-L139 PolarHBondContact O-N 3.07Å; L139-D141 VanDerWaalsContact C-N 3.33Å; L139-D141 PolarHBondContact O-N 3.03Å; L139-L142 HydrophobicContact CB-CD1 4.4Å; L139-L142 HydrophobicContact CD2-CD1 3.86Å; L139-L142 PolarHBondContact O-N 2.8Å; L139-L148 HydrophobicContact CD1-CD2 3.6Å; L139-L166 HydrophobicContact CB-CD1 4.18Å; L139-L166 HydrophobicContact CB-CD2 4.05Å; L139-L166 HydrophobicContact CB-CG 4.35Å; L139-L166 HydrophobicContact CD1-CD1 3.96Å; L139-L166 WeakPolarHBondContact O-CD2 3.26Å
140	Q	93	Very high	95.9	Very high	106 Å²	106	38.3 Å²	38.3	50%	0.495	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-33.8	-165.5	-177.4	174	-3.3	0	0	115.2	Y137 L142 A164	Y137-Q140 WeakPolarHBondContact O-CB 3.42Å; Y137-Q140 PolarHBondContact O-N 3.15Å; Q140-L142 VanDerWaalsContact C-N 3.32Å; Q140-L142 PolarHBondContact O-N 3.04Å; Q140-A164 WeakPolarHBondContact CA-O 3.37Å
141	D	90.8	Very high	95.9	Very high	67 Å²	67	35.6 Å²	35.6	36%	0.358	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-18.6	-176.1	-65.7	-12.7	0	0	0	113.6	A116 N117 L139 S143	A116-D141 WeakPolarHBondContact CA-OD2 3.44Å; N117-D141 PolarHBondContact N-OD2 2.98Å; L139-D141 VanDerWaalsContact C-N 3.33Å; L139-D141 PolarHBondContact O-N 3.03Å; D141-S143 PolarHBondContact O-N 2.58Å
142	L	93.9	Very high	95.9	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	20%	0.2	C	C	.	.			trans	-79.6	50.6	-172.8	-54.8	-176.2	0	0	0	112.3	L115 L118 L121 L124 L139 Q140 N144 L145 L166	L115-L142 HydrophobicContact CB-CD1 4.36Å; L115-L142 HydrophobicContact CB-CD2 4.36Å; L115-L142 HydrophobicContact CD1-CD1 4.24Å; L118-L142 HydrophobicContact CB-CD2 3.79Å; L118-L142 WeakPolarHBondContact O-CD2 3.43Å; L121-L142 HydrophobicContact CB-CD2 4.36Å; L121-L142 HydrophobicContact CD2-CD1 4.36Å; L121-L142 HydrophobicContact CD2-CD2 4.08Å; L124-L142 HydrophobicContact CD2-CD1 3.93Å; L139-L142 HydrophobicContact CB-CD1 4.4Å; L139-L142 HydrophobicContact CD2-CD1 3.86Å; L139-L142 PolarHBondContact O-N 2.8Å; Q140-L142 VanDerWaalsContact C-N 3.32Å; Q140-L142 PolarHBondContact O-N 3.04Å; L142-N144 VanDerWaalsContact C-N 3.26Å; L142-N144 PolarHBondContact O-N 3.45Å; L142-L145 HydrophobicContact CB-CB 4.04Å; L142-L145 HydrophobicContact CB-CD2 4.39Å; L142-L145 HydrophobicContact CD1-CD2 4.16Å; L142-L145 WeakPolarHBondContact O-CB 3.41Å; L142-L145 PolarHBondContact O-N 3.09Å; L142-L166 HydrophobicContact CB-CD2 3.82Å; L142-L166 WeakPolarHBondContact O-CD2 3.32Å
143	S	92.1	Very high	96	Very high	49 Å²	49	37.1 Å²	37.1	34%	0.343	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.9	-169.5	57.1	0	0	0	0	115.4	D141 N168	D141-S143 PolarHBondContact O-N 2.58Å; S143-N168 PolarHBondContact O-ND2 3.32Å
144	N	94.8	Very high	96	Very high	61 Å²	61	38.3 Å²	38.3	33%	0.326	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	3.4	175.5	-68	-56.3	0	0	0	114.3	T119 L121 L142 Q146	T119-N144 WeakPolarHBondContact O-CB 3.46Å; T119-N144 PolarHBondContact O-ND2 3.04Å; L121-N144 CarbonylContact O-C 3.33Å; L142-N144 VanDerWaalsContact C-N 3.26Å; L142-N144 PolarHBondContact O-N 3.45Å; N144-Q146 PolarHBondContact O-N 3.15Å; N144-Q146 PolarHBondContact O-NE2 3.34Å
145	L	96.7	Very high	96.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.189	C	C	.	.			trans	-62.6	130.3	-179.7	-162.7	75.6	0	0	0	110.7	L121 L124 L142 L148 L166 N168 L169	L121-L145 HydrophobicContact CD2-CD1 4.12Å; L121-L145 HydrophobicContact CG-CD1 4.11Å; L121-L145 VanDerWaalsContact O-CA 3.24Å; L121-L145 WeakPolarHBondContact O-CA 3.28Å; L121-L145 PolarHBondContact O-N 3.06Å; L121-L145 VanDerWaalsContact O-N 3.14Å; L124-L145 HydrophobicContact CB-CD1 3.85Å; L142-L145 HydrophobicContact CB-CB 4.04Å; L142-L145 HydrophobicContact CB-CD2 4.39Å; L142-L145 HydrophobicContact CD1-CD2 4.16Å; L142-L145 WeakPolarHBondContact O-CB 3.41Å; L142-L145 PolarHBondContact O-N 3.09Å; L145-L148 HydrophobicContact CD2-CB 4.03Å; L145-L148 HydrophobicContact CD2-CD1 4.36Å; L145-L166 HydrophobicContact CB-CD2 4.17Å; L145-L166 HydrophobicContact CD2-CD1 4.45Å; L145-L166 HydrophobicContact CD2-CD2 4.02Å; L145-N168 CarbonylContact O-C 3.09Å; L145-L169 HydrophobicContact CD2-CD1 4.22Å; L145-L169 HydrophobicContact CG-CD1 4.29Å; L145-L169 WeakPolarHBondContact O-CA 3.4Å; L145-L169 PolarHBondContact O-N 3.28Å; L145-L169 VanDerWaalsContact O-N 3.12Å
146	Q	97.1	Very high	96.1	Very high	29 Å²	29	40.1 Å²	40.1	14%	0.136	20%	0.203	C	C	.	.			trans	-116.6	-30.1	-176.9	-73.8	147.7	57	0	0	111.3	P46 T122 N144 N168 L170 R171	P46-Q146 HydrophobicContact CB-CB 4.09Å; P46-Q146 HydrophobicContact CG-CB 4.04Å; T122-Q146 PolarHBondContact O-N 2.98Å; N144-Q146 PolarHBondContact O-N 3.15Å; N144-Q146 PolarHBondContact O-NE2 3.34Å; Q146-N168 HydrophobicContact CG-CB 4.43Å; Q146-N168 WeakPolarHBondContact CG-O 3.3Å; Q146-L170 HydrophobicContact CB-CD1 4.36Å; Q146-L170 HydrophobicContact CB-CG 4.33Å; Q146-L170 HydrophobicContact CG-CD1 4.33Å; Q146-L170 HydrophobicContact CG-CG 4.39Å; Q146-L170 WeakPolarHBondContact O-CA 3.31Å; Q146-L170 PolarHBondContact O-N 3.3Å; Q146-R171 PolarHBondContact O-N 3.15Å
147	E	98.1	Very high	96.2	Very high	22 Å²	22	40.7 Å²	40.7	10%	0.103	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	128.6	177.9	-52.1	-170	161.2	0	0	110.6	P46 T122 T123 L124 Y149 R171	P46-E147 HydrophobicContact CB-CG 3.94Å; P46-E147 WeakPolarHBondContact CB-OE1 3.27Å; P46-E147 HydrophobicContact CG-CG 3.96Å; T122-E147 PolarHBondContact O-N 3.23Å; T123-E147 HydrophobicContact CG2-CB 4.28Å; L124-E147 PolarHBondContact N-O 2.92Å; L124-E147 VanDerWaalsContact N-O 3.12Å; E147-Y149 HydrophobicContact CB-CD2 4.38Å; E147-Y149 HydrophobicContact CB-CE2 3.66Å; E147-Y149 PolarHBondContact OE2-OH 3.01Å; E147-Y149 VanDerWaalsContact OE2-OH 3.09Å; E147-R171 HydrophobicContact CB-CB 4.42Å; E147-R171 HydrophobicContact CG-CB 4.15Å; E147-R171 HydrophobicContact CG-CG 4.28Å; E147-R171 WeakPolarHBondContact OE1-CD 3.41Å; E147-R171 IonicContact OE1-CZ 2.65Å; E147-R171 IonicContact OE1-NE 2.91Å; E147-R171 IonicContact OE1-NH1 3.28Å; E147-R171 PolarHBondContact OE1-NH1 3.42Å
148	L	98.1	Very high	96.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	115.7	174.7	177.7	59.3	0	0	0	109.9	L124 L139 L145 F163 L166 L169 R171 L172 H173	L124-L148 HydrophobicContact CB-CD1 4.22Å; L124-L148 HydrophobicContact CD2-CD1 3.97Å; L124-L148 HydrophobicContact CG-CD1 4.12Å; L139-L148 HydrophobicContact CD1-CD2 3.6Å; L145-L148 HydrophobicContact CD2-CB 4.03Å; L145-L148 HydrophobicContact CD2-CD1 4.36Å; L148-F163 HydrophobicContact CD2-CD1 4.42Å; L148-F163 HydrophobicContact CD2-CE1 4.14Å; L148-L166 HydrophobicContact CD2-CD1 4.27Å; L148-L169 HydrophobicContact CB-CD1 3.89Å; L148-R171 PolarHBondContact N-O 3.41Å; L148-L172 HydrophobicContact CB-CD1 4.17Å; L148-L172 HydrophobicContact CD2-CD1 3.94Å; L148-L172 HydrophobicContact CG-CD1 4.14Å; L148-H173 PolarHBondContact O-N 2.93Å
149	Y	98.5	Very high	96.4	Very high	38 Å²	38	36.7 Å²	36.7	15%	0.149	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	115.5	176.6	-56.8	-91.5	0	0	0	109.9	T123 L124 H125 L126 E127 E147 H173	T123-Y149 HydrophobicContact CG2-CE2 4.38Å; L124-Y149 PolarHBondContact O-N 2.85Å; H125-Y149 AromaticContact CE1-CD2 3.24Å; H125-Y149 WeakPolarHBondContact CE1-CD2 3.48Å; H125-Y149 AromaticContact CE1-CE2 3.39Å; H125-Y149 WeakPolarHBondContact CE1-CE2 3.42Å; H125-Y149 AromaticContact CE1-CG 3.87Å; H125-Y149 AromaticContact ND1-CD2 3.38Å; H125-Y149 WeakPolarHBondContact ND1-CD2 3.25Å; H125-Y149 AromaticContact ND1-CG 3.68Å; H125-Y149 AromaticContact NE2-CD2 3.87Å; H125-Y149 AromaticContact NE2-CE2 3.9Å; L126-Y149 WeakPolarHBondContact CA-O 3.33Å; L126-Y149 WeakPolarHBondContact CB-O 3.48Å; L126-Y149 PolarHBondContact N-O 2.79Å; E127-Y149 VanDerWaalsContact OE1-CB 3.27Å; E127-Y149 WeakPolarHBondContact OE1-CB 3.39Å; E127-Y149 VanDerWaalsContact OE2-CB 3.27Å; E127-Y149 WeakPolarHBondContact OE2-CB 2.91Å; E147-Y149 HydrophobicContact CB-CD2 4.38Å; E147-Y149 HydrophobicContact CB-CE2 3.66Å; E147-Y149 PolarHBondContact OE2-OH 3.01Å; E147-Y149 VanDerWaalsContact OE2-OH 3.09Å; Y149-H173 HydrophobicContact CD1-CB 3.84Å; Y149-H173 AromaticContact CD1-CD2 3.55Å; Y149-H173 AromaticContact CD1-CG 3.51Å; Y149-H173 AromaticContact CD1-ND1 3.9Å; Y149-H173 AromaticContact CE1-CD2 3.42Å; Y149-H173 VanDerWaalsContact CE1-CD2 3.42Å; Y149-H173 WeakPolarHBondContact CE1-CD2 3.22Å; Y149-H173 AromaticContact CE1-CE1 3.7Å; Y149-H173 AromaticContact CE1-CG 3.75Å; Y149-H173 AromaticContact CE1-ND1 3.89Å; Y149-H173 AromaticContact CE1-NE2 3.44Å; Y149-H173 WeakPolarHBondContact CE1-NE2 3.43Å
150	I	97.4	Very high	96.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.207	C	C	.	.			trans	-143.6	27.1	-178.6	-157.1	172.7	0	0	0	111.3	I110 L126 I131 M134 N153 I155 H173 L174 N177	I110-I150 HydrophobicContact CD1-CD1 3.76Å; I110-I150 HydrophobicContact CG1-CD1 4.15Å; L126-I150 HydrophobicContact CB-CB 4.46Å; L126-I150 HydrophobicContact CB-CG1 4.03Å; L126-I150 HydrophobicContact CD1-CD1 4.28Å; I131-I150 HydrophobicContact CD1-CD1 3.84Å; I131-I150 HydrophobicContact CD1-CG1 4.11Å; M134-I150 HydrophobicContact SD-CD1 4.45Å; I150-N153 PolarHBondContact O-ND2 3.09Å; I150-I155 HydrophobicContact CD1-CD1 3.76Å; I150-I155 HydrophobicContact CG1-CD1 3.86Å; I150-I155 HydrophobicContact CG2-CD1 4.19Å; I150-H173 CarbonylContact C-O 3.56Å; I150-H173 PolarHBondContact N-O 2.84Å; I150-L174 HydrophobicContact CG2-CD2 3.66Å; I150-N177 PolarHBondContact O-ND2 3.21Å
151	N	98.1	Very high	96.6	Very high	15 Å²	15	35.6 Å²	35.6	8%	0.08	20%	0.198	C	C	.	.			trans	-72	169.9	173.2	51.5	-84.4	0	0	0	112.4	E127 E128 N153 H173 N175	E127-N151 WeakPolarHBondContact CA-O 3.47Å; E127-N151 WeakPolarHBondContact CG-ND2 3.21Å; E127-N151 WeakPolarHBondContact CG-OD1 3.43Å; E128-N151 PolarHBondContact N-O 3.28Å; N151-N153 PolarHBondContact O-N 3.13Å; N151-N153 VanDerWaalsContact O-N 3.14Å; N151-N153 PolarHBondContact O-ND2 3.3Å; N151-H173 HydrophobicContact CB-CB 4.49Å; N151-H173 PolarHBondContact N-O 3.47Å; N151-H173 VanDerWaalsContact N-O 3.15Å; N151-H173 WeakPolarHBondContact OD1-CB 3.47Å; N151-N175 CarbonylContact C-O 3.25Å; N151-N175 WeakPolarHBondContact CA-O 3.43Å; N151-N175 HydrophobicContact CB-CB 4.44Å; N151-N175 WeakPolarHBondContact CB-O 3.25Å; N151-N175 WeakPolarHBondContact CB-OD1 3.46Å
152	H	97.9	Very high	97	Very high	89 Å²	89	32.4 Å²	32.4	41%	0.412	18%	0.181	S	C	.	.	S	Bend	trans	53.8	29.5	-176.6	-57.9	130.7	0	0	0	114.6	E128 N175 S176	E128-H152 WeakPolarHBondContact CA-O 3.46Å; E128-H152 HydrophobicContact CB-CB 4.45Å; E128-H152 HydrophobicContact CG-CB 3.68Å; H152-N175 PolarHBondContact N-O 3.16Å; H152-S176 WeakPolarHBondContact CD2-CB 3.11Å
153	N	98.5	Very high	97.1	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.021	18%	0.181	C	C	.	.	S	Bend	trans	-103	-169.7	175.9	-88.1	-97	0	0	0	111	L126 N129 Q130 I131 I150 N151 I155 N177	L126-N153 PolarHBondContact O-ND2 3.19Å; N129-N153 WeakPolarHBondContact CA-OD1 3.29Å; N129-N153 WeakPolarHBondContact CB-OD1 3.39Å; N129-N153 PolarHBondContact O-OD1 2.71Å; Q130-N153 PolarHBondContact N-OD1 3.28Å; I131-N153 HydrophobicContact CB-CB 4.42Å; I131-N153 VanDerWaalsContact CB-OD1 3.25Å; I131-N153 WeakPolarHBondContact CB-OD1 3.28Å; I131-N153 WeakPolarHBondContact CG1-OD1 3.22Å; I131-N153 PolarHBondContact N-OD1 3.02Å; I150-N153 PolarHBondContact O-ND2 3.09Å; N151-N153 PolarHBondContact O-N 3.13Å; N151-N153 VanDerWaalsContact O-N 3.14Å; N151-N153 PolarHBondContact O-ND2 3.3Å; N153-I155 HydrophobicContact CB-CD1 4.34Å; N153-I155 HydrophobicContact CB-CG1 4.09Å; N153-N177 VanDerWaalsContact CA-OD1 3.31Å; N153-N177 WeakPolarHBondContact CA-OD1 3.31Å; N153-N177 WeakPolarHBondContact CB-OD1 3.32Å; N153-N177 PolarHBondContact N-OD1 3.21Å; N153-N177 PolarHBondContact O-OD1 3.21Å
154	Q	97.9	Very high	97.2	Very high	99 Å²	99	30.6 Å²	30.6	46%	0.463	17%	0.169	S	C	.	.			trans	-108.2	20.6	-179.8	-60.9	-171.7	60.3	0	0	112.6	I131 T132 S156 N177	I131-Q154 CarbonylContact O-C 3.57Å; I131-Q154 VanDerWaalsContact O-CA 3.28Å; I131-Q154 WeakPolarHBondContact O-CA 3.46Å; I131-Q154 PolarHBondContact O-N 3.17Å; T132-Q154 HydrophobicContact CG2-CB 4.26Å; Q154-S156 PolarHBondContact O-N 3.33Å; Q154-N177 PolarHBondContact N-OD1 3.29Å
155	I	98.3	Very high	97	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.163	C	C	.	.			trans	-64.8	113.5	-169	-57.2	172.5	0	0	0	109.8	I131 T132 M134 I150 N153 T157 I158 N177 K178 L179	I131-I155 HydrophobicContact CB-CG1 4.32Å; I131-I155 HydrophobicContact CG2-CD1 4.29Å; I131-I155 HydrophobicContact CG2-CG1 4.07Å; I131-I155 WeakPolarHBondContact O-CG1 3.26Å; I131-I155 PolarHBondContact O-N 2.78Å; T132-I155 WeakPolarHBondContact O-CA 3.28Å; M134-I155 HydrophobicContact CG-CD1 4.15Å; M134-I155 HydrophobicContact CG-CG2 4.26Å; M134-I155 HydrophobicContact SD-CD1 4.15Å; I150-I155 HydrophobicContact CD1-CD1 3.76Å; I150-I155 HydrophobicContact CG1-CD1 3.86Å; I150-I155 HydrophobicContact CG2-CD1 4.19Å; N153-I155 HydrophobicContact CB-CD1 4.34Å; N153-I155 HydrophobicContact CB-CG1 4.09Å; I155-T157 WeakPolarHBondContact CG2-O 3.33Å; I155-I158 HydrophobicContact CG2-CD1 4.26Å; I155-I158 HydrophobicContact CG2-CG1 3.73Å; I155-N177 HydrophobicContact CB-CB 4.26Å; I155-N177 VanDerWaalsContact CB-OD1 3.28Å; I155-N177 WeakPolarHBondContact CB-OD1 3.21Å; I155-N177 WeakPolarHBondContact CG1-OD1 3.24Å; I155-N177 PolarHBondContact N-OD1 2.81Å; I155-K178 CarbonylContact O-C 3.12Å; I155-K178 VanDerWaalsContact O-C 3.25Å; I155-K178 VanDerWaalsContact O-CA 3.32Å; I155-K178 WeakPolarHBondContact O-CA 3.25Å; I155-K178 PolarHBondContact O-N 2.91Å; I155-L179 HydrophobicContact CG2-CD2 3.98Å; I155-L179 PolarHBondContact O-N 2.73Å
156	S	96.9	Very high	97	Very high	62 Å²	62	28.6 Å²	28.6	43%	0.434	16%	0.163	S	C	.	.			trans	-102.4	-24.2	-178.1	64.5	0	0	0	0	112.8	T132 Q154	T132-S156 PolarHBondContact O-N 3.33Å; T132-S156 PolarHBondContact O-OG 3.48Å; T132-S156 VanDerWaalsContact O-OG 3.1Å; Q154-S156 PolarHBondContact O-N 3.33Å
157	T	96.8	Very high	96.6	Very high	72 Å²	72	34.2 Å²	34.2	44%	0.442	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	142.9	-178.7	57.6	0	0	0	0	110.9	E133 M134 I155	E133-T157 WeakPolarHBondContact CA-O 3.48Å; E133-T157 WeakPolarHBondContact CB-OG1 3.38Å; M134-T157 PolarHBondContact N-O 3.49Å; I155-T157 WeakPolarHBondContact CG2-O 3.33Å
158	I	97.8	Very high	96.5	Very high	15 Å²	15	36.4 Å²	36.4	8%	0.077	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	129.6	171.7	-62.3	172.9	0	0	0	106.4	M134 I155 A162 F163 L174 L179 W186	M134-I158 HydrophobicContact CB-CB 4.39Å; M134-I158 HydrophobicContact CB-CG1 4.16Å; M134-I158 HydrophobicContact CB-CG2 4.18Å; M134-I158 HydrophobicContact CG-CG1 4.13Å; M134-I158 HydrophobicContact SD-CD1 4.14Å; M134-I158 HydrophobicContact SD-CG1 4.06Å; I155-I158 HydrophobicContact CG2-CD1 4.26Å; I155-I158 HydrophobicContact CG2-CG1 3.73Å; I158-A162 HydrophobicContact CG2-CB 3.76Å; I158-F163 HydrophobicContact CD1-CZ 4.39Å; I158-F163 HydrophobicContact CG2-CE2 3.78Å; I158-F163 HydrophobicContact CG2-CZ 4.27Å; I158-L174 HydrophobicContact CD1-CD1 4.32Å; I158-L174 HydrophobicContact CD1-CD2 3.9Å; I158-L179 HydrophobicContact CD1-CD1 3.95Å; I158-L179 HydrophobicContact CD1-CD2 3.85Å; I158-L179 HydrophobicContact CG1-CD2 3.91Å; I158-W186 HydrophobicContact CB-CD2 4.22Å; I158-W186 HydrophobicContact CB-CH2 4.37Å; I158-W186 HydrophobicContact CB-CZ2 3.73Å; I158-W186 HydrophobicContact CD1-CH2 4.35Å; I158-W186 HydrophobicContact CD1-CZ3 4.38Å; I158-W186 HydrophobicContact CG1-CZ2 4.49Å; I158-W186 HydrophobicContact CG2-CD2 4.05Å; I158-W186 HydrophobicContact CG2-CG 3.98Å; I158-W186 HydrophobicContact CG2-CZ2 4.46Å; I158-W186 PolarHBondContact O-NE1 3.09Å
159	S	97.1	Very high	96.4	Very high	39 Å²	39	36.4 Å²	36.4	27%	0.273	20%	0.199	S	C	.	.			trans	-81.7	155.2	-178.4	-50	0	0	0	0	111.1	M134 T135 D136 N161 A162	M134-S159 WeakPolarHBondContact O-CB 3.45Å; M134-S159 PolarHBondContact O-N 3.42Å; M134-S159 PolarHBondContact O-OG 3.45Å; T135-S159 WeakPolarHBondContact CA-OG 3.35Å; D136-S159 WeakPolarHBondContact OD1-CB 3.46Å; S159-N161 PolarHBondContact O-N 3.39Å; S159-N161 VanDerWaalsContact O-N 3.17Å; S159-A162 VanDerWaalsContact O-CB 3.29Å; S159-A162 WeakPolarHBondContact O-CB 3.45Å; S159-A162 PolarHBondContact O-N 2.73Å
160	A	96.3	Very high	96.4	Very high	28 Å²	28	36.3 Å²	36.3	23%	0.231	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-34.7	-170.6	0	0	0	0	0	113.5	D136 R185	D136-A160 PolarHBondContact OD1-N 3.03Å; A160-R185 HydrophobicContact CB-CB 4.19Å
161	N	96.5	Very high	96.4	Very high	58 Å²	58	39 Å²	39	31%	0.31	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	20.6	-179.7	-47.3	-81.8	0	0	0	112.4	D136 Y137 S159 F163 A164	D136-N161 HydrophobicContact CB-CB 4.08Å; D136-N161 WeakPolarHBondContact OD1-CA 3.15Å; D136-N161 WeakPolarHBondContact OD1-CB 3.37Å; D136-N161 PolarHBondContact OD1-N 3.03Å; D136-N161 PolarHBondContact OD2-ND2 2.98Å; Y137-N161 HydrophobicContact CD1-CB 4.41Å; Y137-N161 HydrophobicContact CE1-CB 3.87Å; Y137-N161 HydrophobicContact CE2-CB 4.31Å; Y137-N161 PolarHBondContact N-O 3.12Å; S159-N161 PolarHBondContact O-N 3.39Å; S159-N161 VanDerWaalsContact O-N 3.17Å; N161-F163 VanDerWaalsContact C-N 3.3Å; N161-F163 PolarHBondContact O-N 3.44Å; N161-A164 HydrophobicContact CB-CB 3.95Å; N161-A164 WeakPolarHBondContact O-CB 3.38Å; N161-A164 PolarHBondContact O-N 3.14Å; N161-A164 VanDerWaalsContact O-N 3.12Å
162	A	97.3	Very high	96.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-37.3	-177.7	0	0	0	0	0	113.1	M134 T135 I158 S159	M134-A162 HydrophobicContact CB-CB 3.89Å; M134-A162 HydrophobicContact CE-CB 4.4Å; T135-A162 WeakPolarHBondContact O-CA 3.48Å; I158-A162 HydrophobicContact CG2-CB 3.76Å; S159-A162 VanDerWaalsContact O-CB 3.29Å; S159-A162 WeakPolarHBondContact O-CB 3.45Å; S159-A162 PolarHBondContact O-N 2.73Å
163	F	96.7	Very high	96.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	9.8	176.8	-54.2	-70.8	0	0	0	113.5	M134 L148 I158 N161 G165 L166 L172 L174 W186 T190	M134-F163 HydrophobicContact CE-CD1 4Å; M134-F163 HydrophobicContact CE-CE1 3.39Å; M134-F163 HydrophobicContact CE-CZ 3.8Å; M134-F163 HydrophobicContact SD-CE1 4.09Å; M134-F163 HydrophobicContact SD-CZ 3.95Å; L148-F163 HydrophobicContact CD2-CD1 4.42Å; L148-F163 HydrophobicContact CD2-CE1 4.14Å; I158-F163 HydrophobicContact CD1-CZ 4.39Å; I158-F163 HydrophobicContact CG2-CE2 3.78Å; I158-F163 HydrophobicContact CG2-CZ 4.27Å; N161-F163 VanDerWaalsContact C-N 3.3Å; N161-F163 PolarHBondContact O-N 3.44Å; F163-G165 PolarHBondContact O-N 3.38Å; F163-G165 VanDerWaalsContact O-N 3.15Å; F163-L166 HydrophobicContact CB-CD1 4.17Å; F163-L166 HydrophobicContact CD1-CD1 3.9Å; F163-L166 PolarHBondContact O-N 2.75Å; F163-L172 HydrophobicContact CE1-CD1 3.95Å; F163-L172 HydrophobicContact CE1-CD2 4.07Å; F163-L172 HydrophobicContact CE2-CD2 4.41Å; F163-L172 HydrophobicContact CZ-CD1 4.35Å; F163-L172 HydrophobicContact CZ-CD2 3.99Å; F163-L174 HydrophobicContact CZ-CD1 4.18Å; F163-L174 HydrophobicContact CZ-CD2 4.37Å; F163-W186 HydrophobicContact CD2-CB 4.07Å; F163-W186 WeakPolarHBondContact CD2-O 3.29Å; F163-W186 HydrophobicContact CE2-CB 4.07Å; F163-T190 HydrophobicContact CB-CG2 3.91Å
164	A	95.4	Very high	96.4	Very high	12 Å²	12	35.1 Å²	35.1	10%	0.099	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	113.5	-178.8	0	0	0	0	0	111.2	Y137 Q140 N161	Y137-A164 HydrophobicContact CD1-CB 3.81Å; Y137-A164 HydrophobicContact CE1-CB 3.75Å; Q140-A164 WeakPolarHBondContact CA-O 3.37Å; N161-A164 HydrophobicContact CB-CB 3.95Å; N161-A164 WeakPolarHBondContact O-CB 3.38Å; N161-A164 PolarHBondContact O-N 3.14Å; N161-A164 VanDerWaalsContact O-N 3.12Å
165	G	90.6	Very high	96.4	Very high	18 Å²	18	31.4 Å²	31.4	19%	0.186	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	128.7	-31.9	-173.9	0	0	0	0	0	112.6	F163 K167	F163-G165 PolarHBondContact O-N 3.38Å; F163-G165 VanDerWaalsContact O-N 3.15Å; G165-K167 PolarHBondContact O-N 2.96Å
166	L	94.9	Very high	96.3	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.18	C	C	.	.			trans	-79.1	51.7	-171.8	-52.7	-175.9	0	0	0	113.8	L139 L142 L145 L148 F163 N168 L169 T190	L139-L166 HydrophobicContact CB-CD1 4.18Å; L139-L166 HydrophobicContact CB-CD2 4.05Å; L139-L166 HydrophobicContact CB-CG 4.35Å; L139-L166 HydrophobicContact CD1-CD1 3.96Å; L139-L166 WeakPolarHBondContact O-CD2 3.26Å; L142-L166 HydrophobicContact CB-CD2 3.82Å; L142-L166 WeakPolarHBondContact O-CD2 3.32Å; L145-L166 HydrophobicContact CB-CD2 4.17Å; L145-L166 HydrophobicContact CD2-CD1 4.45Å; L145-L166 HydrophobicContact CD2-CD2 4.02Å; L148-L166 HydrophobicContact CD2-CD1 4.27Å; F163-L166 HydrophobicContact CB-CD1 4.17Å; F163-L166 HydrophobicContact CD1-CD1 3.9Å; F163-L166 PolarHBondContact O-N 2.75Å; L166-N168 PolarHBondContact O-N 3.08Å; L166-L169 HydrophobicContact CB-CB 4.12Å; L166-L169 HydrophobicContact CB-CD2 4.43Å; L166-L169 HydrophobicContact CD1-CD2 4.16Å; L166-L169 WeakPolarHBondContact O-CB 3.31Å; L166-L169 PolarHBondContact O-N 3.4Å; L166-L169 VanDerWaalsContact O-N 3.16Å; L166-T190 HydrophobicContact CB-CG2 4.39Å
167	K	90.6	Very high	96.4	Very high	148 Å²	148	29 Å²	29	64%	0.643	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-22.7	-172.9	-65.5	176	-177.2	174.8	0	114.1	G165 N192	G165-K167 PolarHBondContact O-N 2.96Å; K167-N192 PolarHBondContact O-ND2 3.5Å
168	N	94.8	Very high	96.5	Very high	68 Å²	68	30.4 Å²	30.4	36%	0.364	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	6.4	-178.9	-68.3	-53.2	0	0	0	113.4	S143 L145 Q146 L166 L170	S143-N168 PolarHBondContact O-ND2 3.32Å; L145-N168 CarbonylContact O-C 3.09Å; Q146-N168 HydrophobicContact CG-CB 4.43Å; Q146-N168 WeakPolarHBondContact CG-O 3.3Å; L166-N168 PolarHBondContact O-N 3.08Å; N168-L170 WeakPolarHBondContact O-CG 3.16Å; N168-L170 PolarHBondContact O-N 3.49Å
169	L	97	Very high	96.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.156	C	C	.	.			trans	-66.6	122.9	-175.8	-164	71	0	0	0	111.2	L145 L148 L166 L172 T190 N192 L193	L145-L169 HydrophobicContact CD2-CD1 4.22Å; L145-L169 HydrophobicContact CG-CD1 4.29Å; L145-L169 WeakPolarHBondContact O-CA 3.4Å; L145-L169 PolarHBondContact O-N 3.28Å; L145-L169 VanDerWaalsContact O-N 3.12Å; L148-L169 HydrophobicContact CB-CD1 3.89Å; L166-L169 HydrophobicContact CB-CB 4.12Å; L166-L169 HydrophobicContact CB-CD2 4.43Å; L166-L169 HydrophobicContact CD1-CD2 4.16Å; L166-L169 WeakPolarHBondContact O-CB 3.31Å; L166-L169 PolarHBondContact O-N 3.4Å; L166-L169 VanDerWaalsContact O-N 3.16Å; L169-L172 HydrophobicContact CD2-CB 4.17Å; L169-L172 HydrophobicContact CD2-CD1 4.42Å; L169-L172 HydrophobicContact CD2-CD2 4.3Å; L169-T190 HydrophobicContact CB-CG2 4.47Å; L169-T190 HydrophobicContact CD2-CG2 4.13Å; L169-N192 CarbonylContact O-C 3.39Å; L169-L193 HydrophobicContact CB-CD1 4.47Å; L169-L193 HydrophobicContact CD2-CD1 4.05Å; L169-L193 HydrophobicContact CG-CD1 3.93Å; L169-L193 VanDerWaalsContact O-CA 3.26Å; L169-L193 WeakPolarHBondContact O-CA 3.49Å; L169-L193 PolarHBondContact O-N 3.14Å
170	L	97.2	Very high	96.3	Very high	36 Å²	36	34.3 Å²	34.3	19%	0.188	17%	0.171	C	C	.	.			trans	-107.8	-33.9	-179.4	-54.4	-179.6	0	0	0	111.9	Q146 N168 E194 I195	Q146-L170 HydrophobicContact CB-CD1 4.36Å; Q146-L170 HydrophobicContact CB-CG 4.33Å; Q146-L170 HydrophobicContact CG-CD1 4.33Å; Q146-L170 HydrophobicContact CG-CG 4.39Å; Q146-L170 WeakPolarHBondContact O-CA 3.31Å; Q146-L170 PolarHBondContact O-N 3.3Å; N168-L170 WeakPolarHBondContact O-CG 3.16Å; N168-L170 PolarHBondContact O-N 3.49Å; L170-E194 PolarHBondContact O-N 3.46Å; L170-I195 PolarHBondContact O-N 2.97Å
171	R	98.2	Very high	96.3	Very high	56 Å²	56	36.6 Å²	36.6	21%	0.211	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	129.9	-177.2	-53	-170.1	172.9	88.9	9.4	111.1	P46 Q146 E147 L148 I195	P46-R171 PolarHBondContact O-NH1 2.96Å; Q146-R171 PolarHBondContact O-N 3.15Å; E147-R171 HydrophobicContact CB-CB 4.42Å; E147-R171 HydrophobicContact CG-CB 4.15Å; E147-R171 HydrophobicContact CG-CG 4.28Å; E147-R171 WeakPolarHBondContact OE1-CD 3.41Å; E147-R171 IonicContact OE1-CZ 2.65Å; E147-R171 IonicContact OE1-NE 2.91Å; E147-R171 IonicContact OE1-NH1 3.28Å; E147-R171 PolarHBondContact OE1-NH1 3.42Å; L148-R171 PolarHBondContact N-O 3.41Å; R171-I195 HydrophobicContact CB-CB 4.49Å; R171-I195 HydrophobicContact CG-CB 4.21Å; R171-I195 HydrophobicContact CG-CD1 4.25Å; R171-I195 HydrophobicContact CG-CG1 4.36Å
172	L	98.4	Very high	96.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	115.1	-179.6	177.9	56.1	0	0	0	110.7	L148 F163 L169 L174 L193 I195 L196 M197	L148-L172 HydrophobicContact CB-CD1 4.17Å; L148-L172 HydrophobicContact CD2-CD1 3.94Å; L148-L172 HydrophobicContact CG-CD1 4.14Å; F163-L172 HydrophobicContact CE1-CD1 3.95Å; F163-L172 HydrophobicContact CE1-CD2 4.07Å; F163-L172 HydrophobicContact CE2-CD2 4.41Å; F163-L172 HydrophobicContact CZ-CD1 4.35Å; F163-L172 HydrophobicContact CZ-CD2 3.99Å; L169-L172 HydrophobicContact CD2-CB 4.17Å; L169-L172 HydrophobicContact CD2-CD1 4.42Å; L169-L172 HydrophobicContact CD2-CD2 4.3Å; L172-L174 HydrophobicContact CD1-CD1 4.31Å; L172-L174 HydrophobicContact CD1-CG 4.04Å; L172-L174 HydrophobicContact CD2-CD1 3.88Å; L172-L174 HydrophobicContact CD2-CG 4.49Å; L172-L174 HydrophobicContact CG-CD1 3.94Å; L172-L174 HydrophobicContact CG-CG 4.03Å; L172-L193 HydrophobicContact CB-CD1 3.68Å; L172-L193 HydrophobicContact CB-CD2 4.17Å; L172-L193 HydrophobicContact CD2-CD2 4.45Å; L172-I195 PolarHBondContact N-O 2.98Å; L172-L196 HydrophobicContact CB-CD1 4.25Å; L172-L196 HydrophobicContact CD2-CD1 4.11Å; L172-L196 HydrophobicContact CG-CD1 4.12Å; L172-M197 PolarHBondContact O-N 3.5Å
173	H	98.5	Very high	96.1	Very high	27 Å²	27	35.8 Å²	35.8	13%	0.125	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	104.9	-179.1	-65	-120.8	0	0	0	110.2	L148 Y149 I150 N151 M197	L148-H173 PolarHBondContact O-N 2.93Å; Y149-H173 HydrophobicContact CD1-CB 3.84Å; Y149-H173 AromaticContact CD1-CD2 3.55Å; Y149-H173 AromaticContact CD1-CG 3.51Å; Y149-H173 AromaticContact CD1-ND1 3.9Å; Y149-H173 AromaticContact CE1-CD2 3.42Å; Y149-H173 VanDerWaalsContact CE1-CD2 3.42Å; Y149-H173 WeakPolarHBondContact CE1-CD2 3.22Å; Y149-H173 AromaticContact CE1-CE1 3.7Å; Y149-H173 AromaticContact CE1-CG 3.75Å; Y149-H173 AromaticContact CE1-ND1 3.89Å; Y149-H173 AromaticContact CE1-NE2 3.44Å; Y149-H173 WeakPolarHBondContact CE1-NE2 3.43Å; I150-H173 CarbonylContact C-O 3.56Å; I150-H173 PolarHBondContact N-O 2.84Å; N151-H173 HydrophobicContact CB-CB 4.49Å; N151-H173 PolarHBondContact N-O 3.47Å; N151-H173 VanDerWaalsContact N-O 3.15Å; N151-H173 WeakPolarHBondContact OD1-CB 3.47Å; H173-M197 PolarHBondContact CE1-SD 2.96Å; H173-M197 PolarHBondContact ND1-SD 3.04Å
174	L	97.7	Very high	96.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.192	C	C	.	.			trans	-113.2	5.7	-179	-75.5	167.3	0	0	0	112.5	M134 I150 I158 F163 L172 N177 L196 M197 I198 N201	M134-L174 HydrophobicContact SD-CD2 4.47Å; I150-L174 HydrophobicContact CG2-CD2 3.66Å; I158-L174 HydrophobicContact CD1-CD1 4.32Å; I158-L174 HydrophobicContact CD1-CD2 3.9Å; F163-L174 HydrophobicContact CZ-CD1 4.18Å; F163-L174 HydrophobicContact CZ-CD2 4.37Å; L172-L174 HydrophobicContact CD1-CD1 4.31Å; L172-L174 HydrophobicContact CD1-CG 4.04Å; L172-L174 HydrophobicContact CD2-CD1 3.88Å; L172-L174 HydrophobicContact CD2-CG 4.49Å; L172-L174 HydrophobicContact CG-CD1 3.94Å; L172-L174 HydrophobicContact CG-CG 4.03Å; L174-N177 PolarHBondContact O-ND2 3.16Å; L174-L196 HydrophobicContact CD1-CD1 4.39Å; L174-M197 CarbonylContact C-O 3.19Å; L174-M197 WeakPolarHBondContact CA-O 3.04Å; L174-M197 PolarHBondContact N-O 3.33Å; L174-I198 HydrophobicContact CB-CB 4.45Å; L174-I198 HydrophobicContact CB-CG1 4.1Å; L174-I198 HydrophobicContact CD1-CD1 4.09Å; L174-N201 PolarHBondContact O-ND2 3.45Å
175	N	97.3	Very high	96.1	Very high	21 Å²	21	43.5 Å²	43.5	11%	0.112	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	158.6	-172.3	62.9	-88.8	0	0	0	113.8	N151 H152 N177 M197 G199	N151-N175 CarbonylContact C-O 3.25Å; N151-N175 WeakPolarHBondContact CA-O 3.43Å; N151-N175 HydrophobicContact CB-CB 4.44Å; N151-N175 WeakPolarHBondContact CB-O 3.25Å; N151-N175 WeakPolarHBondContact CB-OD1 3.46Å; H152-N175 PolarHBondContact N-O 3.16Å; N175-N177 PolarHBondContact O-N 2.84Å; N175-N177 PolarHBondContact O-ND2 3.44Å; N175-M197 PolarHBondContact N-O 2.97Å; N175-G199 CarbonylContact C-O 3.54Å; N175-G199 WeakPolarHBondContact CA-O 3.43Å; N175-G199 WeakPolarHBondContact CB-O 3.08Å
176	S	97.6	Very high	96.4	Very high	11 Å²	11	43.3 Å²	43.3	8%	0.077	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	26	171.8	-37.3	0	0	0	0	114.2	H152 K178 G199 E200	H152-S176 WeakPolarHBondContact CD2-CB 3.11Å; S176-K178 PolarHBondContact O-NZ 3.22Å; S176-G199 PolarHBondContact N-O 2.83Å; S176-E200 WeakPolarHBondContact CB-OE2 3.2Å; S176-E200 VanDerWaalsContact OG-CD 3.26Å; S176-E200 PolarHBondContact OG-OE2 3.02Å
177	N	98.4	Very high	96.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	-93.2	-151.6	177.7	-90.3	-71.6	0	0	0	111.2	I150 N153 Q154 I155 L174 N175 N201	I150-N177 PolarHBondContact O-ND2 3.21Å; N153-N177 VanDerWaalsContact CA-OD1 3.31Å; N153-N177 WeakPolarHBondContact CA-OD1 3.31Å; N153-N177 WeakPolarHBondContact CB-OD1 3.32Å; N153-N177 PolarHBondContact N-OD1 3.21Å; N153-N177 PolarHBondContact O-OD1 3.21Å; Q154-N177 PolarHBondContact N-OD1 3.29Å; I155-N177 HydrophobicContact CB-CB 4.26Å; I155-N177 VanDerWaalsContact CB-OD1 3.28Å; I155-N177 WeakPolarHBondContact CB-OD1 3.21Å; I155-N177 WeakPolarHBondContact CG1-OD1 3.24Å; I155-N177 PolarHBondContact N-OD1 2.81Å; L174-N177 PolarHBondContact O-ND2 3.16Å; N175-N177 PolarHBondContact O-N 2.84Å; N175-N177 PolarHBondContact O-ND2 3.44Å; N177-N201 VanDerWaalsContact CA-OD1 3.32Å; N177-N201 WeakPolarHBondContact CA-OD1 3.48Å; N177-N201 WeakPolarHBondContact CB-OD1 3.1Å; N177-N201 PolarHBondContact N-OD1 3.22Å
178	K	97.6	Very high	96.6	Very high	101 Å²	101	41.1 Å²	41.1	44%	0.439	20%	0.199	S	C	.	.			trans	-130	22.6	-176.4	-54.6	-67.7	160.2	-93.5	0	112.7	I155 S176 N201	I155-K178 CarbonylContact O-C 3.12Å; I155-K178 VanDerWaalsContact O-C 3.25Å; I155-K178 VanDerWaalsContact O-CA 3.32Å; I155-K178 WeakPolarHBondContact O-CA 3.25Å; I155-K178 PolarHBondContact O-N 2.91Å; S176-K178 PolarHBondContact O-NZ 3.22Å; K178-N201 PolarHBondContact N-OD1 3.48Å; K178-N201 VanDerWaalsContact N-OD1 3.16Å
179	L	97.1	Very high	96.6	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.01	19%	0.194	C	C	.	.			trans	-66.3	135.8	-179.5	-56.2	173.8	0	0	0	111.3	I155 I158 W186 I198 N201 P202 V203	I155-L179 HydrophobicContact CG2-CD2 3.98Å; I155-L179 PolarHBondContact O-N 2.73Å; I158-L179 HydrophobicContact CD1-CD1 3.95Å; I158-L179 HydrophobicContact CD1-CD2 3.85Å; I158-L179 HydrophobicContact CG1-CD2 3.91Å; L179-W186 HydrophobicContact CD1-CH2 4.3Å; L179-W186 HydrophobicContact CD1-CZ3 4.35Å; L179-W186 HydrophobicContact CD2-CH2 4.34Å; L179-I198 HydrophobicContact CD1-CD1 4.14Å; L179-I198 HydrophobicContact CD1-CG1 4.23Å; L179-N201 HydrophobicContact CB-CB 4.08Å; L179-N201 WeakPolarHBondContact CB-OD1 3.11Å; L179-N201 WeakPolarHBondContact CG-OD1 3.13Å; L179-N201 PolarHBondContact N-OD1 3.19Å; L179-P202 CarbonylContact O-C 3.49Å; L179-P202 VanDerWaalsContact O-C 3.29Å; L179-P202 VanDerWaalsContact O-CD 3.25Å; L179-P202 WeakPolarHBondContact O-CD 3.17Å; L179-V203 WeakPolarHBondContact O-CG2 3.35Å; L179-V203 PolarHBondContact O-N 2.93Å
180	K	95.1	Very high	96.5	Very high	135 Å²	135	39.6 Å²	39.6	59%	0.587	19%	0.194	S	C	*	.	S	Bend	trans	-106	-13.9	-178.8	-64.8	179.9	-178.7	175.1	0	114.6	V203 I204	K180-V203 WeakPolarHBondContact O-CA 3.37Å; K180-I204 HydrophobicContact CB-CD1 4.46Å; K180-I204 PolarHBondContact O-N 3.37Å
181	V	94.8	Very high	96.2	Very high	76 Å²	76	40.3 Å²	40.3	46%	0.461	20%	0.201	S	C	.	.			trans	-145.7	153.2	-176.8	175.1	0	0	0	0	106.5	W186	V181-W186 WeakPolarHBondContact O-CH2 3.29Å
182	I	95.8	Very high	96.1	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	21%	0.208	C	C	.	.			trans	-107.4	121.5	163.3	-56.5	176.9	0	0	0	107.2	W186 F187 I198 V203 N210 F211 L222 M225	I182-W186 HydrophobicContact CB-CZ3 4.25Å; I182-W186 HydrophobicContact CG2-CE3 4.13Å; I182-W186 HydrophobicContact CG2-CZ3 3.92Å; I182-F187 HydrophobicContact CG2-CE2 3.79Å; I182-F187 HydrophobicContact CG2-CZ 4.17Å; I182-I198 HydrophobicContact CD1-CD1 4.13Å; I182-I198 HydrophobicContact CD1-CG2 4.11Å; I182-I198 HydrophobicContact CG1-CD1 4.07Å; I182-I198 HydrophobicContact CG2-CD1 4.4Å; I182-V203 HydrophobicContact CG1-CG1 4.41Å; I182-V203 HydrophobicContact CG1-CG2 4.25Å; I182-N210 WeakPolarHBondContact CG2-ND2 3.45Å; I182-N210 PolarHBondContact O-ND2 3.07Å; I182-N210 PolarHBondContact O-OD1 3.39Å; I182-F211 HydrophobicContact CD1-CE1 4.04Å; I182-F211 HydrophobicContact CD1-CZ 3.8Å; I182-F211 HydrophobicContact CG2-CE1 4.1Å; I182-L222 HydrophobicContact CD1-CD2 4.45Å; I182-M225 HydrophobicContact CD1-CE 4.09Å
183	D	95.6	Very high	96	Very high	39 Å²	39	40.9 Å²	40.9	21%	0.209	21%	0.208	C	C	.	.			trans	-93.1	132.5	173.7	-160.8	-51.9	0	0	0	109.5	R185 W186	D183-R185 PolarHBondContact O-N 2.98Å; D183-R185 VanDerWaalsContact OD1-CB 3.28Å; D183-R185 WeakPolarHBondContact OD1-CB 3.38Å; D183-R185 VanDerWaalsContact OD1-CG 3.31Å; D183-R185 WeakPolarHBondContact OD1-CG 3.18Å; D183-R185 IonicContact OD1-CZ 3.82Å; D183-R185 PolarHBondContact OD1-N 3.27Å; D183-R185 IonicContact OD1-NE 2.92Å; D183-R185 PolarHBondContact OD1-NE 3.35Å; D183-R185 IonicContact OD1-NH2 3.87Å; D183-R185 IonicContact OD2-CZ 3.36Å; D183-R185 IonicContact OD2-NE 3.25Å; D183-R185 PolarHBondContact OD2-NE 3.41Å; D183-R185 IonicContact OD2-NH2 2.67Å; D183-R185 PolarHBondContact OD2-NH2 3.09Å; D183-W186 HydrophobicContact CB-CD2 3.9Å; D183-W186 HydrophobicContact CB-CG 4.18Å; D183-W186 HydrophobicContact CB-CZ2 3.98Å
184	S	95.9	Very high	96	Very high	44 Å²	44	42 Å²	42	31%	0.308	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-65	-28.9	178.6	62.6	0	0	0	0	112.3	W186 F187 N210	S184-W186 VanDerWaalsContact C-N 3.25Å; S184-W186 PolarHBondContact O-N 2.91Å; S184-F187 PolarHBondContact O-N 2.91Å; S184-F187 VanDerWaalsContact O-N 3.09Å; S184-N210 WeakPolarHBondContact CA-O 3.45Å; S184-N210 WeakPolarHBondContact CB-O 3.01Å
185	R	96.1	Very high	96	Very high	131 Å²	131	43.9 Å²	43.9	49%	0.494	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-66.4	-26	-172.9	-64.2	174.5	-69.5	170.2	-0.7	113.5	A160 D183 F187 D188	A160-R185 HydrophobicContact CB-CB 4.19Å; D183-R185 PolarHBondContact O-N 2.98Å; D183-R185 VanDerWaalsContact OD1-CB 3.28Å; D183-R185 WeakPolarHBondContact OD1-CB 3.38Å; D183-R185 VanDerWaalsContact OD1-CG 3.31Å; D183-R185 WeakPolarHBondContact OD1-CG 3.18Å; D183-R185 IonicContact OD1-CZ 3.82Å; D183-R185 PolarHBondContact OD1-N 3.27Å; D183-R185 IonicContact OD1-NE 2.92Å; D183-R185 PolarHBondContact OD1-NE 3.35Å; D183-R185 IonicContact OD1-NH2 3.87Å; D183-R185 IonicContact OD2-CZ 3.36Å; D183-R185 IonicContact OD2-NE 3.25Å; D183-R185 PolarHBondContact OD2-NE 3.41Å; D183-R185 IonicContact OD2-NH2 2.67Å; D183-R185 PolarHBondContact OD2-NH2 3.09Å; R185-F187 PolarHBondContact O-N 2.87Å; R185-F187 VanDerWaalsContact O-N 3.1Å; R185-D188 WeakPolarHBondContact CA-OD2 3.37Å; R185-D188 WeakPolarHBondContact O-CB 3.49Å; R185-D188 PolarHBondContact O-N 3.37Å; R185-D188 VanDerWaalsContact O-N 3.14Å
186	W	96.1	Very high	96	Very high	14 Å²	14	42.9 Å²	42.9	5%	0.053	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-51.8	-33.8	172.4	-59.5	-23.8	0	0	0	112.2	I158 F163 L179 V181 I182 D183 S184 I198	I158-W186 HydrophobicContact CB-CD2 4.22Å; I158-W186 HydrophobicContact CB-CH2 4.37Å; I158-W186 HydrophobicContact CB-CZ2 3.73Å; I158-W186 HydrophobicContact CD1-CH2 4.35Å; I158-W186 HydrophobicContact CD1-CZ3 4.38Å; I158-W186 HydrophobicContact CG1-CZ2 4.49Å; I158-W186 HydrophobicContact CG2-CD2 4.05Å; I158-W186 HydrophobicContact CG2-CG 3.98Å; I158-W186 HydrophobicContact CG2-CZ2 4.46Å; I158-W186 PolarHBondContact O-NE1 3.09Å; F163-W186 HydrophobicContact CD2-CB 4.07Å; F163-W186 WeakPolarHBondContact CD2-O 3.29Å; F163-W186 HydrophobicContact CE2-CB 4.07Å; L179-W186 HydrophobicContact CD1-CH2 4.3Å; L179-W186 HydrophobicContact CD1-CZ3 4.35Å; L179-W186 HydrophobicContact CD2-CH2 4.34Å; V181-W186 WeakPolarHBondContact O-CH2 3.29Å; I182-W186 HydrophobicContact CB-CZ3 4.25Å; I182-W186 HydrophobicContact CG2-CE3 4.13Å; I182-W186 HydrophobicContact CG2-CZ3 3.92Å; D183-W186 HydrophobicContact CB-CD2 3.9Å; D183-W186 HydrophobicContact CB-CG 4.18Å; D183-W186 HydrophobicContact CB-CZ2 3.98Å; S184-W186 VanDerWaalsContact C-N 3.25Å; S184-W186 PolarHBondContact O-N 2.91Å; W186-I198 HydrophobicContact CZ3-CD1 4.22Å
187	F	95.8	Very high	96.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-93.1	-7	-173.4	-53	-56.3	0	0	0	114	I182 S184 R185 S189 T190 L196 F211 P213 L214	I182-F187 HydrophobicContact CG2-CE2 3.79Å; I182-F187 HydrophobicContact CG2-CZ 4.17Å; S184-F187 PolarHBondContact O-N 2.91Å; S184-F187 VanDerWaalsContact O-N 3.09Å; R185-F187 PolarHBondContact O-N 2.87Å; R185-F187 VanDerWaalsContact O-N 3.1Å; F187-S189 PolarHBondContact O-N 2.82Å; F187-S189 VanDerWaalsContact O-N 3.12Å; F187-T190 PolarHBondContact O-N 3.27Å; F187-T190 PolarHBondContact O-OG1 3.5Å; F187-L196 HydrophobicContact CE1-CD1 4.22Å; F187-L196 HydrophobicContact CE1-CD2 3.79Å; F187-L196 HydrophobicContact CE2-CD2 4.46Å; F187-L196 HydrophobicContact CZ-CD2 3.66Å; F187-F211 HydrophobicContact CE2-CD1 4.19Å; F187-P213 HydrophobicContact CB-CB 4Å; F187-P213 HydrophobicContact CB-CG 4.21Å; F187-L214 HydrophobicContact CB-CD1 4.33Å; F187-L214 HydrophobicContact CB-CD2 3.63Å; F187-L214 HydrophobicContact CB-CG 3.8Å; F187-L214 HydrophobicContact CD1-CD1 3.97Å; F187-L214 HydrophobicContact CD1-CD2 3.86Å; F187-L214 HydrophobicContact CD1-CG 4.24Å; F187-L214 HydrophobicContact CD2-CD1 4.01Å; F187-L214 HydrophobicContact CD2-CG 4.33Å; F187-L214 HydrophobicContact CE1-CD1 4.28Å; F187-L214 HydrophobicContact CE2-CD1 4.32Å; F187-L214 HydrophobicContact CG-CD1 3.82Å; F187-L214 HydrophobicContact CG-CD2 3.84Å; F187-L214 HydrophobicContact CG-CG 3.86Å; F187-L214 HydrophobicContact CZ-CD1 4.45Å
188	D	94.6	Very high	96	Very high	101 Å²	101	45.1 Å²	45.1	54%	0.54	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-23.8	-179.1	-70.6	-21	0	0	0	112.4	R185 P213	R185-D188 WeakPolarHBondContact CA-OD2 3.37Å; R185-D188 WeakPolarHBondContact O-CB 3.49Å; R185-D188 PolarHBondContact O-N 3.37Å; R185-D188 VanDerWaalsContact O-N 3.14Å; D188-P213 WeakPolarHBondContact OD1-CG 3.41Å
189	S	93.3	Very high	96	Very high	37 Å²	37	40.4 Å²	40.4	26%	0.259	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-7.5	176.2	-67.3	0	0	0	0	115	F187 P191	F187-S189 PolarHBondContact O-N 2.82Å; F187-S189 VanDerWaalsContact O-N 3.12Å; S189-P191 WeakPolarHBondContact O-CD 3.43Å
190	T	95.2	Very high	96	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.232	C	C	.	.			trans	-125.3	52.2	-172.5	64.5	0	0	0	0	113.3	F163 L166 L169 F187 N192 L193	F163-T190 HydrophobicContact CB-CG2 3.91Å; L166-T190 HydrophobicContact CB-CG2 4.39Å; L169-T190 HydrophobicContact CB-CG2 4.47Å; L169-T190 HydrophobicContact CD2-CG2 4.13Å; F187-T190 PolarHBondContact O-N 3.27Å; F187-T190 PolarHBondContact O-OG1 3.5Å; T190-N192 PolarHBondContact O-N 3.44Å; T190-L193 WeakPolarHBondContact O-CB 3.37Å; T190-L193 PolarHBondContact O-N 2.9Å
191	P	91.9	Very high	96.1	Very high	51 Å²	51	39.1 Å²	39.1	33%	0.331	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-13.4	-176.2	31.1	-37.7	0	0	0	114	S189 N216	S189-P191 WeakPolarHBondContact O-CD 3.43Å; P191-N216 PolarHBondContact O-ND2 2.88Å
192	N	94.8	Very high	96.1	Very high	67 Å²	67	38.4 Å²	38.4	36%	0.358	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-0.2	179.3	-66.3	-32	0	0	0	113.7	K167 L169 T190 E194	K167-N192 PolarHBondContact O-ND2 3.5Å; L169-N192 CarbonylContact O-C 3.39Å; T190-N192 PolarHBondContact O-N 3.44Å; N192-E194 PolarHBondContact O-N 3.02Å
193	L	97.3	Very high	96.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.203	C	C	.	.			trans	-64	121.6	-177.7	-168	77.6	0	0	0	110.9	L169 L172 T190 L196 L214 N216 L217	L169-L193 HydrophobicContact CB-CD1 4.47Å; L169-L193 HydrophobicContact CD2-CD1 4.05Å; L169-L193 HydrophobicContact CG-CD1 3.93Å; L169-L193 VanDerWaalsContact O-CA 3.26Å; L169-L193 WeakPolarHBondContact O-CA 3.49Å; L169-L193 PolarHBondContact O-N 3.14Å; L172-L193 HydrophobicContact CB-CD1 3.68Å; L172-L193 HydrophobicContact CB-CD2 4.17Å; L172-L193 HydrophobicContact CD2-CD2 4.45Å; T190-L193 WeakPolarHBondContact O-CB 3.37Å; T190-L193 PolarHBondContact O-N 2.9Å; L193-L196 HydrophobicContact CD2-CB 3.94Å; L193-L196 HydrophobicContact CD2-CD1 4.29Å; L193-L214 HydrophobicContact CB-CD2 3.97Å; L193-L214 HydrophobicContact CD2-CD2 3.85Å; L193-N216 CarbonylContact O-C 3.32Å; L193-L217 HydrophobicContact CD2-CD1 4.17Å; L193-L217 HydrophobicContact CG-CD1 4.23Å; L193-L217 VanDerWaalsContact O-CA 3.24Å; L193-L217 WeakPolarHBondContact O-CA 3.37Å; L193-L217 WeakPolarHBondContact O-CD1 3.39Å; L193-L217 PolarHBondContact O-N 3.42Å
194	E	97.3	Very high	95.9	Very high	50 Å²	50	43.9 Å²	43.9	23%	0.234	23%	0.229	C	C	.	.			trans	-95.6	-29.3	178.1	-63.7	-158.5	136.2	0	0	112.6	L170 N192 R218 S219	L170-E194 PolarHBondContact O-N 3.46Å; N192-E194 PolarHBondContact O-N 3.02Å; E194-R218 HydrophobicContact CB-CG 4.31Å; E194-R218 VanDerWaalsContact CD-NE 3.29Å; E194-R218 WeakPolarHBondContact O-CA 3.24Å; E194-R218 PolarHBondContact O-N 2.9Å; E194-R218 IonicContact OE1-CZ 2.74Å; E194-R218 VanDerWaalsContact OE1-CZ 3.28Å; E194-R218 IonicContact OE1-NE 3.48Å; E194-R218 PolarHBondContact OE1-NE 3Å; E194-R218 IonicContact OE1-NH2 2.71Å; E194-R218 PolarHBondContact OE1-NH2 2.86Å; E194-R218 IonicContact OE2-NE 2.66Å; E194-S219 PolarHBondContact O-N 2.03Å
195	I	98.4	Very high	95.7	Very high	41 Å²	41	43.3 Å²	43.3	21%	0.21	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	124.8	-177.9	-53.3	-173.8	0	0	0	111	L170 R171 L172 M197	L170-I195 PolarHBondContact O-N 2.97Å; R171-I195 HydrophobicContact CB-CB 4.49Å; R171-I195 HydrophobicContact CG-CB 4.21Å; R171-I195 HydrophobicContact CG-CD1 4.25Å; R171-I195 HydrophobicContact CG-CG1 4.36Å; L172-I195 PolarHBondContact N-O 2.98Å; I195-M197 HydrophobicContact CG2-CG 4.26Å
196	L	98.5	Very high	95.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	118	172.3	178.5	58.8	0	0	0	110.6	L172 L174 F187 L193 I198 F211 L214 L217 S219 L220 V221	L172-L196 HydrophobicContact CB-CD1 4.25Å; L172-L196 HydrophobicContact CD2-CD1 4.11Å; L172-L196 HydrophobicContact CG-CD1 4.12Å; L174-L196 HydrophobicContact CD1-CD1 4.39Å; F187-L196 HydrophobicContact CE1-CD1 4.22Å; F187-L196 HydrophobicContact CE1-CD2 3.79Å; F187-L196 HydrophobicContact CE2-CD2 4.46Å; F187-L196 HydrophobicContact CZ-CD2 3.66Å; L193-L196 HydrophobicContact CD2-CB 3.94Å; L193-L196 HydrophobicContact CD2-CD1 4.29Å; L196-I198 HydrophobicContact CD1-CB 4.41Å; L196-I198 HydrophobicContact CG-CB 4.47Å; L196-I198 HydrophobicContact CG-CG2 4.49Å; L196-F211 HydrophobicContact CD2-CD1 4.29Å; L196-F211 HydrophobicContact CD2-CE1 4.24Å; L196-L214 HydrophobicContact CD2-CD1 3.78Å; L196-L217 HydrophobicContact CB-CD1 3.88Å; L196-L217 HydrophobicContact CB-CD2 4.47Å; L196-S219 PolarHBondContact N-O 3.3Å; L196-L220 HydrophobicContact CB-CD1 4.13Å; L196-L220 HydrophobicContact CD2-CD1 3.96Å; L196-L220 HydrophobicContact CG-CD1 4.12Å; L196-V221 PolarHBondContact O-N 3.14Å
197	M	98.3	Very high	95.6	Very high	57 Å²	57	42.1 Å²	42.1	28%	0.281	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	106.7	172.1	-62.5	-170	64	0	0	109.5	L172 H173 L174 N175 I195 V221	L172-M197 PolarHBondContact O-N 3.5Å; H173-M197 PolarHBondContact CE1-SD 2.96Å; H173-M197 PolarHBondContact ND1-SD 3.04Å; L174-M197 CarbonylContact C-O 3.19Å; L174-M197 WeakPolarHBondContact CA-O 3.04Å; L174-M197 PolarHBondContact N-O 3.33Å; N175-M197 PolarHBondContact N-O 2.97Å; I195-M197 HydrophobicContact CG2-CG 4.26Å; M197-V221 HydrophobicContact CB-CB 4.41Å; M197-V221 HydrophobicContact CE-CB 4.36Å; M197-V221 HydrophobicContact CE-CG1 4.23Å; M197-V221 HydrophobicContact CE-CG2 4.3Å; M197-V221 HydrophobicContact CG-CB 4.03Å; M197-V221 HydrophobicContact CG-CG2 3.98Å
198	I	96.9	Very high	95.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.251	C	S	.	.			trans	-125.4	10.8	-176.1	-163.2	161.8	0	0	0	112.9	L174 L179 I182 W186 L196 N201 V221 L222 M225	L174-I198 HydrophobicContact CB-CB 4.45Å; L174-I198 HydrophobicContact CB-CG1 4.1Å; L174-I198 HydrophobicContact CD1-CD1 4.09Å; L179-I198 HydrophobicContact CD1-CD1 4.14Å; L179-I198 HydrophobicContact CD1-CG1 4.23Å; I182-I198 HydrophobicContact CD1-CD1 4.13Å; I182-I198 HydrophobicContact CD1-CG2 4.11Å; I182-I198 HydrophobicContact CG1-CD1 4.07Å; I182-I198 HydrophobicContact CG2-CD1 4.4Å; W186-I198 HydrophobicContact CZ3-CD1 4.22Å; L196-I198 HydrophobicContact CD1-CB 4.41Å; L196-I198 HydrophobicContact CG-CB 4.47Å; L196-I198 HydrophobicContact CG-CG2 4.49Å; I198-N201 PolarHBondContact O-ND2 2.81Å; I198-V221 PolarHBondContact N-O 2.97Å; I198-V221 VanDerWaalsContact N-O 3.14Å; I198-L222 HydrophobicContact CG2-CD2 3.6Å; I198-M225 HydrophobicContact CG2-CE 4.45Å; I198-M225 HydrophobicContact CG2-SD 4.36Å
199	G	96.7	Very high	95.7	Very high	3 Å²	3	44.8 Å²	44.8	3%	0.031	25%	0.246	C	C	.	.			trans	-57.7	173	178	0	0	0	0	0	115.7	N175 S176 N201 V221 A223	N175-G199 CarbonylContact C-O 3.54Å; N175-G199 WeakPolarHBondContact CA-O 3.43Å; N175-G199 WeakPolarHBondContact CB-O 3.08Å; S176-G199 PolarHBondContact N-O 2.83Å; G199-N201 PolarHBondContact O-N 2.97Å; G199-N201 PolarHBondContact O-ND2 3.14Å; G199-N201 VanDerWaalsContact O-ND2 3.14Å; G199-V221 PolarHBondContact N-O 3.21Å; G199-A223 CarbonylContact C-O 3.38Å; G199-A223 VanDerWaalsContact C-O 3.3Å; G199-A223 WeakPolarHBondContact CA-O 3.42Å
200	E	96.9	Very high	95.8	Very high	110 Å²	110	43.3 Å²	43.3	51%	0.514	24%	0.235	S	C	.	.	S	Bend	trans	54.8	21.7	179.3	-65.3	171.8	-144	0	0	114.5	S176 A223	S176-E200 WeakPolarHBondContact CB-OE2 3.2Å; S176-E200 VanDerWaalsContact OG-CD 3.26Å; S176-E200 PolarHBondContact OG-OE2 3.02Å; E200-A223 PolarHBondContact N-O 3Å
201	N	97.2	Very high	95.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.235	C	C	.	.			trans	-98.2	137.8	170.3	-80.9	-79.6	0	0	0	109.9	L174 N177 K178 L179 I198 G199 V203 M225	L174-N201 PolarHBondContact O-ND2 3.45Å; N177-N201 VanDerWaalsContact CA-OD1 3.32Å; N177-N201 WeakPolarHBondContact CA-OD1 3.48Å; N177-N201 WeakPolarHBondContact CB-OD1 3.1Å; N177-N201 PolarHBondContact N-OD1 3.22Å; K178-N201 PolarHBondContact N-OD1 3.48Å; K178-N201 VanDerWaalsContact N-OD1 3.16Å; L179-N201 HydrophobicContact CB-CB 4.08Å; L179-N201 WeakPolarHBondContact CB-OD1 3.11Å; L179-N201 WeakPolarHBondContact CG-OD1 3.13Å; L179-N201 PolarHBondContact N-OD1 3.19Å; I198-N201 PolarHBondContact O-ND2 2.81Å; G199-N201 PolarHBondContact O-N 2.97Å; G199-N201 PolarHBondContact O-ND2 3.14Å; G199-N201 VanDerWaalsContact O-ND2 3.14Å; N201-V203 HydrophobicContact CB-CG2 4.01Å; N201-V203 PolarHBondContact O-N 3.38Å; N201-M225 HydrophobicContact CB-CE 4.2Å
202	P	95.3	Very high	96.1	Very high	60 Å²	60	46.3 Å²	46.3	39%	0.39	24%	0.243	S	C	.	.			trans	-76.8	57.3	-179.2	34.6	-38.3	0	0	0	112.3	L179	L179-P202 CarbonylContact O-C 3.49Å; L179-P202 VanDerWaalsContact O-C 3.29Å; L179-P202 VanDerWaalsContact O-CD 3.25Å; L179-P202 WeakPolarHBondContact O-CD 3.17Å
203	V	95	Very high	96.2	Very high	7 Å²	7	44.4 Å²	44.4	4%	0.042	23%	0.234	C	C	.	.			trans	-75.8	128	-177.5	171.8	0	0	0	0	110.5	L179 K180 I182 N201 G205 M225	L179-V203 WeakPolarHBondContact O-CG2 3.35Å; L179-V203 PolarHBondContact O-N 2.93Å; K180-V203 WeakPolarHBondContact O-CA 3.37Å; I182-V203 HydrophobicContact CG1-CG1 4.41Å; I182-V203 HydrophobicContact CG1-CG2 4.25Å; N201-V203 HydrophobicContact CB-CG2 4.01Å; N201-V203 PolarHBondContact O-N 3.38Å; V203-G205 VanDerWaalsContact C-N 3.26Å; V203-G205 VanDerWaalsContact CG1-O 3.22Å; V203-G205 WeakPolarHBondContact CG1-O 3.41Å; V203-G205 PolarHBondContact O-N 2.84Å; V203-M225 HydrophobicContact CB-CE 3.71Å; V203-M225 HydrophobicContact CG1-CE 4.38Å; V203-M225 HydrophobicContact CG2-CE 3.41Å; V203-M225 VanDerWaalsContact CG2-CE 3.41Å
204	I	91.6	Very high	96.2	Very high	149 Å²	149	44.4 Å²	44.4	76%	0.764	23%	0.234	S	C	*	.	S	Bend	trans	-67	-30.7	-176.1	-59.7	171.4	0	0	0	111.2	K180	K180-I204 HydrophobicContact CB-CD1 4.46Å; K180-I204 PolarHBondContact O-N 3.37Å
205	G	91.8	Very high	96	Very high	31 Å²	31	45.2 Å²	45.2	32%	0.32	24%	0.243	S	C	.	.			trans	174.5	168.4	175	0	0	0	0	0	111.5	V203	V203-G205 VanDerWaalsContact C-N 3.26Å; V203-G205 VanDerWaalsContact CG1-O 3.22Å; V203-G205 WeakPolarHBondContact CG1-O 3.41Å; V203-G205 PolarHBondContact O-N 2.84Å
206	I	95.6	Very high	95.9	Very high	9 Å²	9	46.2 Å²	46.2	5%	0.046	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-99.3	147.1	173.2	-60.8	177	0	0	0	108.2	N210 F211 L222 L227 I230 P231 A234	I206-N210 HydrophobicContact CG2-CB 3.71Å; I206-F211 HydrophobicContact CD1-CE2 4.23Å; I206-F211 HydrophobicContact CD1-CZ 4.3Å; I206-F211 HydrophobicContact CG2-CE2 3.88Å; I206-F211 HydrophobicContact CG2-CZ 4.44Å; I206-L222 HydrophobicContact CD1-CD1 3.77Å; I206-L222 HydrophobicContact CD1-CD2 4.22Å; I206-L227 HydrophobicContact CD1-CD1 3.69Å; I206-L227 HydrophobicContact CD1-CD2 4.33Å; I206-L227 HydrophobicContact CG1-CD1 4.3Å; I206-L227 HydrophobicContact CG1-CD2 4.03Å; I206-I230 HydrophobicContact CD1-CD1 4.33Å; I206-P231 VanDerWaalsContact O-CG 3.26Å; I206-P231 WeakPolarHBondContact O-CG 3.34Å; I206-A234 HydrophobicContact CG2-CB 3.88Å
207	L	95.4	Very high	95.9	Very high	111 Å²	111	46.2 Å²	46.2	58%	0.581	25%	0.248	S	C	*	.	P	Polyproline II helix	trans	-98.6	164.5	178.2	-59.4	178.3	0	0	0	112.1	N210 A234	L207-N210 PolarHBondContact N-OD1 2.86Å; L207-N210 WeakPolarHBondContact O-CB 3.27Å; L207-N210 PolarHBondContact O-N 2.84Å; L207-A234 WeakPolarHBondContact O-CA 3.27Å; L207-A234 WeakPolarHBondContact O-CB 3.4Å
208	D	96.8	Very high	95.9	Very high	70 Å²	70	48.6 Å²	48.6	37%	0.374	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	138.5	170	-98.7	-0.6	0	0	0	110.6	N210 P231 N233 A234	D208-N210 PolarHBondContact O-N 3.22Å; D208-P231 WeakPolarHBondContact OD1-CB 3.45Å; D208-N233 HydrophobicContact CB-CB 4.23Å; D208-N233 VanDerWaalsContact CG-CB 3.5Å; D208-N233 VanDerWaalsContact OD1-CA 3.26Å; D208-N233 WeakPolarHBondContact OD1-CA 3.11Å; D208-N233 WeakPolarHBondContact OD1-CB 3.12Å; D208-N233 PolarHBondContact OD1-N 2.88Å; D208-N233 PolarHBondContact OD2-ND2 2.8Å; D208-A234 PolarHBondContact OD1-N 3.2Å
209	M	96.1	Very high	96	Very high	88 Å²	88	49.8 Å²	49.8	43%	0.433	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	20.3	-176.7	-58.7	173.2	-75	0	0	115.7	F211 K212 N233 V236	M209-F211 PolarHBondContact O-N 2.04Å; M209-K212 HydrophobicContact CB-CB 4.12Å; M209-K212 HydrophobicContact CB-CD 4.13Å; M209-K212 HydrophobicContact CG-CD 4.29Å; M209-K212 VanDerWaalsContact O-CB 3.25Å; M209-K212 WeakPolarHBondContact O-CB 3.38Å; M209-K212 PolarHBondContact O-N 2.85Å; M209-K212 VanDerWaalsContact O-N 3.09Å; M209-K212 HydrophobicContact SD-CD 4.13Å; M209-N233 WeakPolarHBondContact CA-O 3.37Å; M209-N233 PolarHBondContact N-O 2.93Å; M209-V236 HydrophobicContact CG-CB 4.22Å; M209-V236 HydrophobicContact CG-CG1 4.31Å
210	N	95.4	Very high	96.1	Very high	5 Å²	5	49.6 Å²	49.6	3%	0.027	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-30.7	-171.9	-139.5	132.2	0	0	0	115	I182 S184 I206 L207 D208 A234	I182-N210 WeakPolarHBondContact CG2-ND2 3.45Å; I182-N210 PolarHBondContact O-ND2 3.07Å; I182-N210 PolarHBondContact O-OD1 3.39Å; S184-N210 WeakPolarHBondContact CA-O 3.45Å; S184-N210 WeakPolarHBondContact CB-O 3.01Å; I206-N210 HydrophobicContact CG2-CB 3.71Å; L207-N210 PolarHBondContact N-OD1 2.86Å; L207-N210 WeakPolarHBondContact O-CB 3.27Å; L207-N210 PolarHBondContact O-N 2.84Å; D208-N210 PolarHBondContact O-N 3.22Å; N210-A234 PolarHBondContact N-O 3.25Å
211	F	97.1	Very high	96.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	9.9	-174.9	-55.4	-73.4	0	0	0	113.3	I182 F187 L196 I206 M209 P213 L214 L220 L222 L235 L238	I182-F211 HydrophobicContact CD1-CE1 4.04Å; I182-F211 HydrophobicContact CD1-CZ 3.8Å; I182-F211 HydrophobicContact CG2-CE1 4.1Å; F187-F211 HydrophobicContact CE2-CD1 4.19Å; L196-F211 HydrophobicContact CD2-CD1 4.29Å; L196-F211 HydrophobicContact CD2-CE1 4.24Å; I206-F211 HydrophobicContact CD1-CE2 4.23Å; I206-F211 HydrophobicContact CD1-CZ 4.3Å; I206-F211 HydrophobicContact CG2-CE2 3.88Å; I206-F211 HydrophobicContact CG2-CZ 4.44Å; M209-F211 PolarHBondContact O-N 2.04Å; F211-P213 VanDerWaalsContact C-N 3.33Å; F211-P213 VanDerWaalsContact O-N 3.11Å; F211-L214 HydrophobicContact CB-CD1 4.26Å; F211-L214 HydrophobicContact CD1-CD1 4.15Å; F211-L214 VanDerWaalsContact O-CB 3.32Å; F211-L214 WeakPolarHBondContact O-CB 3.03Å; F211-L214 PolarHBondContact O-N 2.85Å; F211-L220 HydrophobicContact CD2-CD2 4.11Å; F211-L220 HydrophobicContact CE1-CD1 4.27Å; F211-L220 HydrophobicContact CE2-CD2 4.12Å; F211-L220 HydrophobicContact CG-CD2 4.33Å; F211-L220 HydrophobicContact CZ-CD2 4.35Å; F211-L222 HydrophobicContact CE2-CD1 4.44Å; F211-L222 HydrophobicContact CZ-CD1 4.45Å; F211-L222 HydrophobicContact CZ-CD2 3.9Å; F211-L235 HydrophobicContact CD2-CD2 4.28Å; F211-L235 HydrophobicContact CE2-CD2 4.47Å; F211-L238 HydrophobicContact CB-CD1 3.93Å; F211-L238 HydrophobicContact CB-CD2 3.83Å; F211-L238 HydrophobicContact CB-CG 4.04Å; F211-L238 HydrophobicContact CD2-CD1 4.34Å; F211-L238 HydrophobicContact CG-CD1 4.37Å
212	K	96.6	Very high	96.2	Very high	114 Å²	114	45.7 Å²	45.7	50%	0.496	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-31.2	-171.9	-178.7	177.1	174.2	-176.4	0	116.7	M209 L214 V236	M209-K212 HydrophobicContact CB-CB 4.12Å; M209-K212 HydrophobicContact CB-CD 4.13Å; M209-K212 HydrophobicContact CG-CD 4.29Å; M209-K212 VanDerWaalsContact O-CB 3.25Å; M209-K212 WeakPolarHBondContact O-CB 3.38Å; M209-K212 PolarHBondContact O-N 2.85Å; M209-K212 VanDerWaalsContact O-N 3.09Å; M209-K212 HydrophobicContact SD-CD 4.13Å; K212-L214 PolarHBondContact O-N 3.32Å; K212-V236 WeakPolarHBondContact CA-O 3.5Å; K212-V236 WeakPolarHBondContact CB-O 3.29Å
213	P	96.2	Very high	96.2	Very high	27 Å²	27	43.6 Å²	43.6	18%	0.175	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-19.4	175.4	-22.5	35.4	0	0	0	114.6	F187 D188 F211 V215	F187-P213 HydrophobicContact CB-CB 4Å; F187-P213 HydrophobicContact CB-CG 4.21Å; D188-P213 WeakPolarHBondContact OD1-CG 3.41Å; F211-P213 VanDerWaalsContact C-N 3.33Å; F211-P213 VanDerWaalsContact O-N 3.11Å; P213-V215 VanDerWaalsContact C-N 3.25Å; P213-V215 PolarHBondContact O-N 3.22Å
214	L	96.4	Very high	96.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.236	C	C	.	.			trans	-84.7	55.1	-170.3	-61.4	175.9	0	0	0	112.7	F187 L193 L196 F211 K212 N216 L217 L238	F187-L214 HydrophobicContact CB-CD1 4.33Å; F187-L214 HydrophobicContact CB-CD2 3.63Å; F187-L214 HydrophobicContact CB-CG 3.8Å; F187-L214 HydrophobicContact CD1-CD1 3.97Å; F187-L214 HydrophobicContact CD1-CD2 3.86Å; F187-L214 HydrophobicContact CD1-CG 4.24Å; F187-L214 HydrophobicContact CD2-CD1 4.01Å; F187-L214 HydrophobicContact CD2-CG 4.33Å; F187-L214 HydrophobicContact CE1-CD1 4.28Å; F187-L214 HydrophobicContact CE2-CD1 4.32Å; F187-L214 HydrophobicContact CG-CD1 3.82Å; F187-L214 HydrophobicContact CG-CD2 3.84Å; F187-L214 HydrophobicContact CG-CG 3.86Å; F187-L214 HydrophobicContact CZ-CD1 4.45Å; L193-L214 HydrophobicContact CB-CD2 3.97Å; L193-L214 HydrophobicContact CD2-CD2 3.85Å; L196-L214 HydrophobicContact CD2-CD1 3.78Å; F211-L214 HydrophobicContact CB-CD1 4.26Å; F211-L214 HydrophobicContact CD1-CD1 4.15Å; F211-L214 VanDerWaalsContact O-CB 3.32Å; F211-L214 WeakPolarHBondContact O-CB 3.03Å; F211-L214 PolarHBondContact O-N 2.85Å; K212-L214 PolarHBondContact O-N 3.32Å; L214-N216 VanDerWaalsContact C-N 3.26Å; L214-N216 PolarHBondContact O-N 3.15Å; L214-L217 HydrophobicContact CB-CB 4.01Å; L214-L217 HydrophobicContact CB-CD2 4.3Å; L214-L217 HydrophobicContact CD1-CD2 4.08Å; L214-L217 VanDerWaalsContact O-CB 3.25Å; L214-L217 WeakPolarHBondContact O-CB 3.44Å; L214-L217 PolarHBondContact O-N 2.85Å; L214-L217 VanDerWaalsContact O-N 3.09Å; L214-L238 HydrophobicContact CB-CD2 3.97Å
215	V	94.6	Very high	96.5	Very high	68 Å²	68	36.8 Å²	36.8	41%	0.412	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-24.3	-171.3	-62.7	0	0	0	0	114.9	P213 S240	P213-V215 VanDerWaalsContact C-N 3.25Å; P213-V215 PolarHBondContact O-N 3.22Å; V215-S240 WeakPolarHBondContact O-CB 3.38Å; V215-S240 PolarHBondContact O-OG 2.77Å
216	N	96.3	Very high	96.7	Very high	62 Å²	62	43 Å²	43	33%	0.332	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	3.2	178.1	-65.9	-63.3	0	0	0	113.8	P191 L193 L214 R218	P191-N216 PolarHBondContact O-ND2 2.88Å; L193-N216 CarbonylContact O-C 3.32Å; L214-N216 VanDerWaalsContact C-N 3.26Å; L214-N216 PolarHBondContact O-N 3.15Å; N216-R218 PolarHBondContact O-N 2.94Å
217	L	98.2	Very high	96.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.214	C	C	.	.			trans	-64.8	124.4	-174.3	-162.1	74	0	0	0	111.3	L193 L196 L214 L220 L238 S240 L241	L193-L217 HydrophobicContact CD2-CD1 4.17Å; L193-L217 HydrophobicContact CG-CD1 4.23Å; L193-L217 VanDerWaalsContact O-CA 3.24Å; L193-L217 WeakPolarHBondContact O-CA 3.37Å; L193-L217 WeakPolarHBondContact O-CD1 3.39Å; L193-L217 PolarHBondContact O-N 3.42Å; L196-L217 HydrophobicContact CB-CD1 3.88Å; L196-L217 HydrophobicContact CB-CD2 4.47Å; L214-L217 HydrophobicContact CB-CB 4.01Å; L214-L217 HydrophobicContact CB-CD2 4.3Å; L214-L217 HydrophobicContact CD1-CD2 4.08Å; L214-L217 VanDerWaalsContact O-CB 3.25Å; L214-L217 WeakPolarHBondContact O-CB 3.44Å; L214-L217 PolarHBondContact O-N 2.85Å; L214-L217 VanDerWaalsContact O-N 3.09Å; L217-L220 HydrophobicContact CD2-CB 3.91Å; L217-L220 HydrophobicContact CD2-CD1 4.24Å; L217-L220 HydrophobicContact CD2-CD2 4.34Å; L217-L220 HydrophobicContact CD2-CG 4.39Å; L217-L238 HydrophobicContact CB-CD2 4.04Å; L217-L238 HydrophobicContact CD2-CD2 3.76Å; L217-S240 CarbonylContact O-C 3.47Å; L217-L241 HydrophobicContact CB-CD1 4.49Å; L217-L241 HydrophobicContact CD2-CD1 4.12Å; L217-L241 HydrophobicContact CG-CD1 4.17Å; L217-L241 WeakPolarHBondContact O-CA 3.42Å; L217-L241 PolarHBondContact O-N 2.94Å
218	R	98.1	Very high	96.7	Very high	106 Å²	106	42.2 Å²	42.2	40%	0.4	22%	0.215	S	C	.	.			trans	-99.4	-33.8	176.7	-59.6	-173.8	-172.4	-74.5	-12.8	112.4	E194 N216 E242 S243	E194-R218 HydrophobicContact CB-CG 4.31Å; E194-R218 VanDerWaalsContact CD-NE 3.29Å; E194-R218 WeakPolarHBondContact O-CA 3.24Å; E194-R218 PolarHBondContact O-N 2.9Å; E194-R218 IonicContact OE1-CZ 2.74Å; E194-R218 VanDerWaalsContact OE1-CZ 3.28Å; E194-R218 IonicContact OE1-NE 3.48Å; E194-R218 PolarHBondContact OE1-NE 3Å; E194-R218 IonicContact OE1-NH2 2.71Å; E194-R218 PolarHBondContact OE1-NH2 2.86Å; E194-R218 IonicContact OE2-NE 2.66Å; N216-R218 PolarHBondContact O-N 2.94Å; R218-E242 HydrophobicContact CB-CG 4.37Å; R218-E242 IonicContact NH1-OE1 2.67Å; R218-E242 CarbonylContact O-C 3.29Å; R218-E242 WeakPolarHBondContact O-CA 3.47Å; R218-E242 PolarHBondContact O-N 3.08Å; R218-S243 PolarHBondContact O-N 2.82Å
219	S	98.6	Very high	96.6	Very high	25 Å²	25	42.2 Å²	42.2	18%	0.175	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	126.1	-174.6	-169	0	0	0	0	111.6	E194 L196 S243	E194-S219 PolarHBondContact O-N 2.03Å; L196-S219 PolarHBondContact N-O 3.3Å; S219-S243 WeakPolarHBondContact CA-O 3.36Å
220	L	98.6	Very high	96.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	116.9	178.4	179.3	55.4	0	0	0	110.3	L196 F211 L217 L222 L235 L238 L241 S243 L244 S245	L196-L220 HydrophobicContact CB-CD1 4.13Å; L196-L220 HydrophobicContact CD2-CD1 3.96Å; L196-L220 HydrophobicContact CG-CD1 4.12Å; F211-L220 HydrophobicContact CD2-CD2 4.11Å; F211-L220 HydrophobicContact CE1-CD1 4.27Å; F211-L220 HydrophobicContact CE2-CD2 4.12Å; F211-L220 HydrophobicContact CG-CD2 4.33Å; F211-L220 HydrophobicContact CZ-CD2 4.35Å; L217-L220 HydrophobicContact CD2-CB 3.91Å; L217-L220 HydrophobicContact CD2-CD1 4.24Å; L217-L220 HydrophobicContact CD2-CD2 4.34Å; L217-L220 HydrophobicContact CD2-CG 4.39Å; L220-L222 HydrophobicContact CD1-CD2 4.08Å; L220-L222 HydrophobicContact CD1-CG 4.2Å; L220-L222 HydrophobicContact CD2-CD1 4.11Å; L220-L222 HydrophobicContact CD2-CG 4.47Å; L220-L222 HydrophobicContact CG-CD1 4.17Å; L220-L222 HydrophobicContact CG-CD2 4.41Å; L220-L222 HydrophobicContact CG-CG 4.01Å; L220-L235 HydrophobicContact CD2-CD2 4.27Å; L220-L238 HydrophobicContact CD2-CD1 3.72Å; L220-L241 HydrophobicContact CB-CD1 3.87Å; L220-S243 PolarHBondContact N-O 2.71Å; L220-L244 HydrophobicContact CB-CD1 4.05Å; L220-L244 HydrophobicContact CD2-CD1 4.1Å; L220-L244 HydrophobicContact CG-CD1 4.06Å; L220-L244 WeakPolarHBondContact O-CA 3.5Å; L220-S245 PolarHBondContact O-N 3.21Å; L220-S245 VanDerWaalsContact O-N 3.09Å
221	V	98.4	Very high	96.7	Very high	28 Å²	28	40.2 Å²	40.2	17%	0.17	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	109.1	-179.8	-176	0	0	0	0	110.4	L196 M197 I198 G199 A223	L196-V221 PolarHBondContact O-N 3.14Å; M197-V221 HydrophobicContact CB-CB 4.41Å; M197-V221 HydrophobicContact CE-CB 4.36Å; M197-V221 HydrophobicContact CE-CG1 4.23Å; M197-V221 HydrophobicContact CE-CG2 4.3Å; M197-V221 HydrophobicContact CG-CB 4.03Å; M197-V221 HydrophobicContact CG-CG2 3.98Å; I198-V221 PolarHBondContact N-O 2.97Å; I198-V221 VanDerWaalsContact N-O 3.14Å; G199-V221 PolarHBondContact N-O 3.21Å; V221-A223 HydrophobicContact CG1-CB 3.86Å
222	L	97.4	Very high	96.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.219	C	C	.	.			trans	-110.3	30.5	179.2	-60.2	170.6	0	0	0	111.1	I182 I198 I206 F211 L220 M225 L227 L244 S245 F246 N249	I182-L222 HydrophobicContact CD1-CD2 4.45Å; I198-L222 HydrophobicContact CG2-CD2 3.6Å; I206-L222 HydrophobicContact CD1-CD1 3.77Å; I206-L222 HydrophobicContact CD1-CD2 4.22Å; F211-L222 HydrophobicContact CE2-CD1 4.44Å; F211-L222 HydrophobicContact CZ-CD1 4.45Å; F211-L222 HydrophobicContact CZ-CD2 3.9Å; L220-L222 HydrophobicContact CD1-CD2 4.08Å; L220-L222 HydrophobicContact CD1-CG 4.2Å; L220-L222 HydrophobicContact CD2-CD1 4.11Å; L220-L222 HydrophobicContact CD2-CG 4.47Å; L220-L222 HydrophobicContact CG-CD1 4.17Å; L220-L222 HydrophobicContact CG-CD2 4.41Å; L220-L222 HydrophobicContact CG-CG 4.01Å; L222-M225 HydrophobicContact CB-SD 3.85Å; L222-M225 HydrophobicContact CD2-SD 3.67Å; L222-M225 HydrophobicContact CG-SD 4.39Å; L222-M225 WeakPolarHBondContact O-CG 3.33Å; L222-L227 HydrophobicContact CB-CD1 4.47Å; L222-L244 HydrophobicContact CD1-CD1 4.36Å; L222-S245 WeakPolarHBondContact CA-O 3.34Å; L222-S245 PolarHBondContact N-O 2.85Å; L222-F246 HydrophobicContact CB-CD1 4.15Å; L222-F246 HydrophobicContact CB-CE1 4.44Å; L222-F246 HydrophobicContact CD1-CD1 4.15Å; L222-F246 HydrophobicContact CD1-CE1 3.58Å; L222-F246 HydrophobicContact CD1-CZ 4.38Å; L222-N249 PolarHBondContact O-ND2 3.3Å
223	A	97	Very high	96.8	Very high	15 Å²	15	38.8 Å²	38.8	12%	0.124	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	144.7	-176.6	0	0	0	0	0	112.8	G199 E200 V221 M225 Y247	G199-A223 CarbonylContact C-O 3.38Å; G199-A223 VanDerWaalsContact C-O 3.3Å; G199-A223 WeakPolarHBondContact CA-O 3.42Å; E200-A223 PolarHBondContact N-O 3Å; V221-A223 HydrophobicContact CG1-CB 3.86Å; A223-M225 VanDerWaalsContact C-N 3.28Å; A223-M225 WeakPolarHBondContact O-CG 3.37Å; A223-M225 PolarHBondContact O-N 3.09Å; A223-Y247 CarbonylContact C-O 3.23Å; A223-Y247 WeakPolarHBondContact CA-O 3.45Å; A223-Y247 HydrophobicContact CB-CD1 4.32Å
224	G	96.3	Very high	96.8	Very high	13 Å²	13	37.5 Å²	37.5	13%	0.134	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	22.9	169.2	0	0	0	0	0	115.9	Y247	G224-Y247 PolarHBondContact N-O 3.47Å
225	M	95.8	Very high	96.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	-94.7	7.7	-173.1	-61.1	-171.6	80.1	0	0	114.5	I182 I198 N201 V203 L222 A223 L227 N249	I182-M225 HydrophobicContact CD1-CE 4.09Å; I198-M225 HydrophobicContact CG2-CE 4.45Å; I198-M225 HydrophobicContact CG2-SD 4.36Å; N201-M225 HydrophobicContact CB-CE 4.2Å; V203-M225 HydrophobicContact CB-CE 3.71Å; V203-M225 HydrophobicContact CG1-CE 4.38Å; V203-M225 HydrophobicContact CG2-CE 3.41Å; V203-M225 VanDerWaalsContact CG2-CE 3.41Å; L222-M225 HydrophobicContact CB-SD 3.85Å; L222-M225 HydrophobicContact CD2-SD 3.67Å; L222-M225 HydrophobicContact CG-SD 4.39Å; L222-M225 WeakPolarHBondContact O-CG 3.33Å; A223-M225 VanDerWaalsContact C-N 3.28Å; A223-M225 WeakPolarHBondContact O-CG 3.37Å; A223-M225 PolarHBondContact O-N 3.09Å; M225-L227 HydrophobicContact CB-CD1 3.95Å; M225-L227 HydrophobicContact CB-CG 3.81Å; M225-L227 PolarHBondContact O-N 3.45Å; M225-L227 VanDerWaalsContact O-N 3.12Å; M225-L227 HydrophobicContact SD-CD1 4.45Å; M225-N249 WeakPolarHBondContact CA-OD1 3.39Å; M225-N249 WeakPolarHBondContact CB-OD1 3.46Å; M225-N249 PolarHBondContact N-OD1 3.38Å; M225-N249 VanDerWaalsContact N-OD1 3.16Å
226	Y	95.3	Very high	97	Very high	163 Å²	163	36.5 Å²	36.5	64%	0.639	20%	0.197	S	C	*	.			trans	59.1	15.5	-178.3	-59	-95	0	0	0	115.8	T228 N249	Y226-T228 PolarHBondContact O-N 3.47Å; Y226-N249 PolarHBondContact N-OD1 2.79Å; Y226-N249 VanDerWaalsContact N-OD1 3.17Å
227	L	96	Very high	96.9	Very high	6 Å²	6	34.1 Å²	34.1	3%	0.031	19%	0.187	C	C	.	.			trans	-63.6	129.3	-174.6	-60	167.1	0	0	0	111.6	I206 L222 M225 I230 N249 K250 L251	I206-L227 HydrophobicContact CD1-CD1 3.69Å; I206-L227 HydrophobicContact CD1-CD2 4.33Å; I206-L227 HydrophobicContact CG1-CD1 4.3Å; I206-L227 HydrophobicContact CG1-CD2 4.03Å; L222-L227 HydrophobicContact CB-CD1 4.47Å; M225-L227 HydrophobicContact CB-CD1 3.95Å; M225-L227 HydrophobicContact CB-CG 3.81Å; M225-L227 PolarHBondContact O-N 3.45Å; M225-L227 VanDerWaalsContact O-N 3.12Å; M225-L227 HydrophobicContact SD-CD1 4.45Å; L227-I230 HydrophobicContact CB-CD1 4.26Å; L227-I230 HydrophobicContact CD1-CD1 3.91Å; L227-N249 HydrophobicContact CB-CB 4.23Å; L227-N249 WeakPolarHBondContact CB-OD1 3.27Å; L227-N249 WeakPolarHBondContact CG-OD1 3.43Å; L227-N249 PolarHBondContact N-OD1 3.21Å; L227-K250 CarbonylContact O-C 3.47Å; L227-K250 VanDerWaalsContact O-CA 3.31Å; L227-K250 WeakPolarHBondContact O-CA 3.48Å; L227-K250 PolarHBondContact O-N 2.88Å; L227-L251 HydrophobicContact CB-CD2 4.41Å; L227-L251 WeakPolarHBondContact O-CD2 3.49Å; L227-L251 PolarHBondContact O-N 3.04Å; L227-L251 VanDerWaalsContact O-N 3.14Å
228	T	95	Very high	96.9	Very high	96 Å²	96	34.1 Å²	34.1	59%	0.589	19%	0.187	S	C	*	.			trans	-98.3	-26.4	-178	51.3	0	0	0	0	114	Y226 K250	Y226-T228 PolarHBondContact O-N 3.47Å; T228-K250 HydrophobicContact CG2-CB 4.15Å
229	D	95.3	Very high	96.6	Very high	71 Å²	71	33.6 Å²	33.6	38%	0.38	19%	0.192	S	C	.	.			trans	-151.7	161.5	173.9	-161.6	8.2	0	0	0	110	K253	D229-K253 WeakPolarHBondContact OD1-CE 3.38Å; D229-K253 IonicContact OD1-NZ 3.42Å; D229-K253 PolarHBondContact OD1-NZ 3.44Å; D229-K253 WeakPolarHBondContact OD2-CE 3.43Å; D229-K253 IonicContact OD2-NZ 2.64Å; D229-K253 PolarHBondContact OD2-NZ 2.98Å
230	I	96.9	Very high	96.5	Very high	7 Å²	7	34.4 Å²	34.4	4%	0.036	20%	0.198	C	C	.	.			trans	-123.5	120.6	176.4	-52	-64.3	0	0	0	108.8	I206 L227 A234 F246 L251 P255 A258	I206-I230 HydrophobicContact CD1-CD1 4.33Å; L227-I230 HydrophobicContact CB-CD1 4.26Å; L227-I230 HydrophobicContact CD1-CD1 3.91Å; I230-A234 HydrophobicContact CG2-CB 3.93Å; I230-F246 HydrophobicContact CD1-CD1 4.11Å; I230-F246 HydrophobicContact CD1-CE1 3.55Å; I230-F246 HydrophobicContact CD1-CZ 4.25Å; I230-F246 HydrophobicContact CG1-CD1 4.48Å; I230-F246 HydrophobicContact CG1-CE1 3.82Å; I230-F246 HydrophobicContact CG1-CZ 4.05Å; I230-L251 HydrophobicContact CD1-CD2 4.19Å; I230-L251 HydrophobicContact CG1-CD2 3.95Å; I230-P255 HydrophobicContact CB-CB 3.76Å; I230-P255 HydrophobicContact CG1-CB 3.92Å; I230-P255 HydrophobicContact CG1-CG 4.24Å; I230-A258 HydrophobicContact CG2-CB 3.86Å
231	P	96.9	Very high	96.5	Very high	44 Å²	44	34.4 Å²	34.4	29%	0.286	20%	0.198	S	C	.	.			trans	-58.8	144.1	178.8	-28	36.8	0	0	0	113.8	I206 D208 N233 A234	I206-P231 VanDerWaalsContact O-CG 3.26Å; I206-P231 WeakPolarHBondContact O-CG 3.34Å; D208-P231 WeakPolarHBondContact OD1-CB 3.45Å; P231-N233 PolarHBondContact O-N 3.15Å; P231-A234 HydrophobicContact CB-CB 4.25Å; P231-A234 VanDerWaalsContact O-CB 3.26Å; P231-A234 WeakPolarHBondContact O-CB 3.5Å; P231-A234 PolarHBondContact O-N 3.34Å
232	G	96.8	Very high	96.5	Very high	21 Å²	21	35.6 Å²	35.6	22%	0.216	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-15.8	-171.1	0	0	0	0	0	115.7	K261	G232-K261 WeakPolarHBondContact O-CE 3.36Å
233	N	97.8	Very high	96.6	Very high	63 Å²	63	37.4 Å²	37.4	34%	0.337	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.9	12.8	173.4	-44.4	-72.9	0	0	0	113	D208 M209 P231 L235 V236 K261	D208-N233 HydrophobicContact CB-CB 4.23Å; D208-N233 VanDerWaalsContact CG-CB 3.5Å; D208-N233 VanDerWaalsContact OD1-CA 3.26Å; D208-N233 WeakPolarHBondContact OD1-CA 3.11Å; D208-N233 WeakPolarHBondContact OD1-CB 3.12Å; D208-N233 PolarHBondContact OD1-N 2.88Å; D208-N233 PolarHBondContact OD2-ND2 2.8Å; M209-N233 WeakPolarHBondContact CA-O 3.37Å; M209-N233 PolarHBondContact N-O 2.93Å; P231-N233 PolarHBondContact O-N 3.15Å; N233-L235 PolarHBondContact O-N 3.02Å; N233-V236 HydrophobicContact CB-CG2 3.76Å; N233-V236 WeakPolarHBondContact O-CB 3.45Å; N233-V236 WeakPolarHBondContact O-CG2 3.47Å; N233-V236 PolarHBondContact O-N 2.78Å; N233-V236 VanDerWaalsContact O-N 3.15Å; N233-K261 WeakPolarHBondContact OD1-CE 3.49Å; N233-K261 PolarHBondContact OD1-NZ 3.05Å
234	A	97.8	Very high	96.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-36.5	-179.7	0	0	0	0	0	113.6	I206 L207 D208 N210 I230 P231	I206-A234 HydrophobicContact CG2-CB 3.88Å; L207-A234 WeakPolarHBondContact O-CA 3.27Å; L207-A234 WeakPolarHBondContact O-CB 3.4Å; D208-A234 PolarHBondContact OD1-N 3.2Å; N210-A234 PolarHBondContact N-O 3.25Å; I230-A234 HydrophobicContact CG2-CB 3.93Å; P231-A234 HydrophobicContact CB-CB 4.25Å; P231-A234 VanDerWaalsContact O-CB 3.26Å; P231-A234 WeakPolarHBondContact O-CB 3.5Å; P231-A234 PolarHBondContact O-N 3.34Å
235	L	97.6	Very high	96.8	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.01	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	9.8	-177.7	-53.5	179.9	0	0	0	113.9	F211 L220 N233 G237 L238 L244 A258 K261 V262	F211-L235 HydrophobicContact CD2-CD2 4.28Å; F211-L235 HydrophobicContact CE2-CD2 4.47Å; L220-L235 HydrophobicContact CD2-CD2 4.27Å; N233-L235 PolarHBondContact O-N 3.02Å; L235-G237 PolarHBondContact O-N 2.96Å; L235-L238 HydrophobicContact CB-CD1 4.18Å; L235-L238 HydrophobicContact CD2-CD1 3.92Å; L235-L238 WeakPolarHBondContact O-CB 3.35Å; L235-L238 PolarHBondContact O-N 2.63Å; L235-L244 HydrophobicContact CD1-CD2 3.73Å; L235-A258 HydrophobicContact CD1-CB 4.14Å; L235-A258 HydrophobicContact CG-CB 4.32Å; L235-K261 HydrophobicContact CB-CB 4.43Å; L235-V262 HydrophobicContact CB-CG1 3.94Å; L235-V262 HydrophobicContact CD1-CG1 4.28Å; L235-V262 HydrophobicContact CD1-CG2 4.27Å
236	V	97.3	Very high	96.9	Very high	45 Å²	45	36.7 Å²	36.7	27%	0.273	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	128.9	179.9	167	0	0	0	0	111.3	M209 K212 N233 K261	M209-V236 HydrophobicContact CG-CB 4.22Å; M209-V236 HydrophobicContact CG-CG1 4.31Å; K212-V236 WeakPolarHBondContact CA-O 3.5Å; K212-V236 WeakPolarHBondContact CB-O 3.29Å; N233-V236 HydrophobicContact CB-CG2 3.76Å; N233-V236 WeakPolarHBondContact O-CB 3.45Å; N233-V236 WeakPolarHBondContact O-CG2 3.47Å; N233-V236 PolarHBondContact O-N 2.78Å; N233-V236 VanDerWaalsContact O-N 3.15Å; V236-K261 HydrophobicContact CG2-CB 4.21Å; V236-K261 HydrophobicContact CG2-CD 3.93Å; V236-K261 HydrophobicContact CG2-CG 3.88Å
237	G	94.8	Very high	97	Very high	12 Å²	12	33.4 Å²	33.4	12%	0.124	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.6	-9.1	-175.5	0	0	0	0	0	113.9	L235 D239	L235-G237 PolarHBondContact O-N 2.96Å; G237-D239 PolarHBondContact O-N 2.95Å; G237-D239 VanDerWaalsContact O-N 3.09Å
238	L	97.1	Very high	97.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.203	C	C	.	.			trans	-85	47.3	176.2	-61.3	-176.7	0	0	0	112	F211 L214 L217 L220 L235 S240 L241 V262	F211-L238 HydrophobicContact CB-CD1 3.93Å; F211-L238 HydrophobicContact CB-CD2 3.83Å; F211-L238 HydrophobicContact CB-CG 4.04Å; F211-L238 HydrophobicContact CD2-CD1 4.34Å; F211-L238 HydrophobicContact CG-CD1 4.37Å; L214-L238 HydrophobicContact CB-CD2 3.97Å; L217-L238 HydrophobicContact CB-CD2 4.04Å; L217-L238 HydrophobicContact CD2-CD2 3.76Å; L220-L238 HydrophobicContact CD2-CD1 3.72Å; L235-L238 HydrophobicContact CB-CD1 4.18Å; L235-L238 HydrophobicContact CD2-CD1 3.92Å; L235-L238 WeakPolarHBondContact O-CB 3.35Å; L235-L238 PolarHBondContact O-N 2.63Å; L238-S240 PolarHBondContact O-N 3.05Å; L238-L241 HydrophobicContact CB-CB 4.11Å; L238-L241 HydrophobicContact CB-CD2 4.44Å; L238-L241 HydrophobicContact CD1-CD2 4.19Å; L238-L241 VanDerWaalsContact O-CB 3.28Å; L238-L241 WeakPolarHBondContact O-CB 3.49Å; L238-L241 PolarHBondContact O-N 3.35Å; L238-L241 VanDerWaalsContact O-N 3.13Å; L238-V262 HydrophobicContact CB-CG1 3.98Å
239	D	92.4	Very high	97.2	Very high	94 Å²	94	30.7 Å²	30.7	50%	0.503	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-25	-172.8	-63.1	-51.5	0	0	0	113	G237 N264	G237-D239 PolarHBondContact O-N 2.95Å; G237-D239 VanDerWaalsContact O-N 3.09Å; D239-N264 PolarHBondContact O-ND2 3.3Å
240	S	96.5	Very high	97.3	Very high	43 Å²	43	30.5 Å²	30.5	30%	0.301	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-0.5	178.3	-57	0	0	0	0	114.6	V215 L217 L238 E242	V215-S240 WeakPolarHBondContact O-CB 3.38Å; V215-S240 PolarHBondContact O-OG 2.77Å; L217-S240 CarbonylContact O-C 3.47Å; L238-S240 PolarHBondContact O-N 3.05Å; S240-E242 WeakPolarHBondContact O-CG 3.36Å; S240-E242 PolarHBondContact O-N 2.96Å
241	L	98.4	Very high	97.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.169	C	C	.	.			trans	-69.9	125.7	-168.5	-163.3	74.7	0	0	0	112.6	L217 L220 L238 L244 V262 N264 L265	L217-L241 HydrophobicContact CB-CD1 4.49Å; L217-L241 HydrophobicContact CD2-CD1 4.12Å; L217-L241 HydrophobicContact CG-CD1 4.17Å; L217-L241 WeakPolarHBondContact O-CA 3.42Å; L217-L241 PolarHBondContact O-N 2.94Å; L220-L241 HydrophobicContact CB-CD1 3.87Å; L238-L241 HydrophobicContact CB-CB 4.11Å; L238-L241 HydrophobicContact CB-CD2 4.44Å; L238-L241 HydrophobicContact CD1-CD2 4.19Å; L238-L241 VanDerWaalsContact O-CB 3.28Å; L238-L241 WeakPolarHBondContact O-CB 3.49Å; L238-L241 PolarHBondContact O-N 3.35Å; L238-L241 VanDerWaalsContact O-N 3.13Å; L241-L244 HydrophobicContact CD2-CB 4.12Å; L241-L244 HydrophobicContact CD2-CD1 4.39Å; L241-L244 HydrophobicContact CD2-CD2 4.3Å; L241-V262 HydrophobicContact CB-CG1 4.24Å; L241-V262 HydrophobicContact CD2-CB 4.38Å; L241-V262 HydrophobicContact CD2-CG1 3.86Å; L241-N264 CarbonylContact O-C 3.56Å; L241-N264 VanDerWaalsContact O-C 3.25Å; L241-L265 HydrophobicContact CD2-CD1 4.08Å; L241-L265 HydrophobicContact CG-CD1 4.14Å; L241-L265 WeakPolarHBondContact O-CA 3.44Å; L241-L265 PolarHBondContact O-N 3.12Å
242	E	98.4	Very high	97.3	Very high	53 Å²	53	32.4 Å²	32.4	25%	0.248	18%	0.182	C	C	.	.			trans	-110.5	-28.6	-178.9	-49.7	-161	162	0	0	112.6	R218 S240 K266 F267	R218-E242 HydrophobicContact CB-CG 4.37Å; R218-E242 IonicContact NH1-OE1 2.67Å; R218-E242 CarbonylContact O-C 3.29Å; R218-E242 WeakPolarHBondContact O-CA 3.47Å; R218-E242 PolarHBondContact O-N 3.08Å; S240-E242 WeakPolarHBondContact O-CG 3.36Å; S240-E242 PolarHBondContact O-N 2.96Å; E242-K266 HydrophobicContact CB-CD 4.16Å; E242-K266 HydrophobicContact CB-CG 4.37Å; E242-K266 VanDerWaalsContact CD-CE 3.47Å; E242-K266 HydrophobicContact CG-CD 4.46Å; E242-K266 WeakPolarHBondContact O-CA 3.35Å; E242-K266 WeakPolarHBondContact O-CB 3.32Å; E242-K266 PolarHBondContact O-N 2.84Å; E242-K266 IonicContact OE1-NZ 2.79Å; E242-K266 PolarHBondContact OE1-NZ 2.96Å; E242-K266 WeakPolarHBondContact OE2-CE 3.45Å; E242-K266 IonicContact OE2-NZ 3.79Å; E242-K266 PolarHBondContact OE2-NZ 3.17Å; E242-F267 PolarHBondContact O-N 3.38Å
243	S	98.7	Very high	97.2	Very high	37 Å²	37	35.9 Å²	35.9	26%	0.259	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	134.6	-177.9	-173.2	0	0	0	0	111.9	R218 S219 L220	R218-S243 PolarHBondContact O-N 2.82Å; S219-S243 WeakPolarHBondContact CA-O 3.36Å; L220-S243 PolarHBondContact N-O 2.71Å
244	L	98.7	Very high	97.2	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	123.1	-179.5	-179.9	58.1	0	0	0	110.2	L220 L222 L235 L241 F246 L259 L265 F267 L268 D269	L220-L244 HydrophobicContact CB-CD1 4.05Å; L220-L244 HydrophobicContact CD2-CD1 4.1Å; L220-L244 HydrophobicContact CG-CD1 4.06Å; L220-L244 WeakPolarHBondContact O-CA 3.5Å; L222-L244 HydrophobicContact CD1-CD1 4.36Å; L235-L244 HydrophobicContact CD1-CD2 3.73Å; L241-L244 HydrophobicContact CD2-CB 4.12Å; L241-L244 HydrophobicContact CD2-CD1 4.39Å; L241-L244 HydrophobicContact CD2-CD2 4.3Å; L244-F246 HydrophobicContact CD1-CE2 4.17Å; L244-F246 HydrophobicContact CD1-CZ 4.07Å; L244-F246 HydrophobicContact CD2-CD2 4.47Å; L244-F246 HydrophobicContact CD2-CE2 3.55Å; L244-F246 HydrophobicContact CD2-CZ 3.87Å; L244-F246 HydrophobicContact CG-CD2 4.23Å; L244-F246 HydrophobicContact CG-CE2 3.72Å; L244-F246 HydrophobicContact CG-CZ 4.1Å; L244-L259 HydrophobicContact CD2-CD2 4.03Å; L244-L265 HydrophobicContact CB-CD1 3.62Å; L244-L265 HydrophobicContact CB-CD2 4.21Å; L244-L265 HydrophobicContact CD2-CD2 4.46Å; L244-F267 PolarHBondContact N-O 2.85Å; L244-L268 HydrophobicContact CB-CD1 4.38Å; L244-L268 HydrophobicContact CD2-CD1 4.41Å; L244-L268 HydrophobicContact CG-CD1 4.35Å; L244-D269 PolarHBondContact O-N 2.8Å
245	S	98.6	Very high	97.2	Very high	13 Å²	13	33.4 Å²	33.4	9%	0.091	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	128.2	174.8	173.8	0	0	0	0	112.1	L220 L222 Y247 D269	L220-S245 PolarHBondContact O-N 3.21Å; L220-S245 VanDerWaalsContact O-N 3.09Å; L222-S245 WeakPolarHBondContact CA-O 3.34Å; L222-S245 PolarHBondContact N-O 2.85Å; S245-Y247 WeakPolarHBondContact OG-CB 3.19Å; S245-Y247 PolarHBondContact OG-N 3.04Å; S245-D269 WeakPolarHBondContact CB-OD2 3.35Å; S245-D269 PolarHBondContact OG-OD2 3.11Å
246	F	98.2	Very high	97.1	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.19	C	C	.	.			trans	-112	25.6	167.7	-63.1	-72.9	0	0	0	111.6	L222 I230 L244 D248 N249 L251 P255 L268 D269 L270 N273	L222-F246 HydrophobicContact CB-CD1 4.15Å; L222-F246 HydrophobicContact CB-CE1 4.44Å; L222-F246 HydrophobicContact CD1-CD1 4.15Å; L222-F246 HydrophobicContact CD1-CE1 3.58Å; L222-F246 HydrophobicContact CD1-CZ 4.38Å; I230-F246 HydrophobicContact CD1-CD1 4.11Å; I230-F246 HydrophobicContact CD1-CE1 3.55Å; I230-F246 HydrophobicContact CD1-CZ 4.25Å; I230-F246 HydrophobicContact CG1-CD1 4.48Å; I230-F246 HydrophobicContact CG1-CE1 3.82Å; I230-F246 HydrophobicContact CG1-CZ 4.05Å; L244-F246 HydrophobicContact CD1-CE2 4.17Å; L244-F246 HydrophobicContact CD1-CZ 4.07Å; L244-F246 HydrophobicContact CD2-CD2 4.47Å; L244-F246 HydrophobicContact CD2-CE2 3.55Å; L244-F246 HydrophobicContact CD2-CZ 3.87Å; L244-F246 HydrophobicContact CG-CD2 4.23Å; L244-F246 HydrophobicContact CG-CE2 3.72Å; L244-F246 HydrophobicContact CG-CZ 4.1Å; F246-D248 PolarHBondContact O-N 2.8Å; F246-N249 VanDerWaalsContact C-ND2 3.27Å; F246-N249 WeakPolarHBondContact O-CB 3.31Å; F246-N249 PolarHBondContact O-N 3.23Å; F246-N249 PolarHBondContact O-ND2 2.96Å; F246-L251 HydrophobicContact CB-CD1 3.9Å; F246-L251 HydrophobicContact CD1-CD1 4.38Å; F246-L251 HydrophobicContact CD2-CD1 4.49Å; F246-L251 HydrophobicContact CG-CD1 4.05Å; F246-P255 HydrophobicContact CE2-CG 4.2Å; F246-L268 HydrophobicContact CD2-CD1 4.33Å; F246-D269 PolarHBondContact N-O 2.78Å; F246-L270 HydrophobicContact CB-CD2 4.28Å; F246-L270 HydrophobicContact CD2-CD2 3.86Å; F246-L270 HydrophobicContact CG-CD2 4.5Å; F246-N273 PolarHBondContact O-ND2 3.4Å
247	Y	98.2	Very high	97	Very high	93 Å²	93	39 Å²	39	37%	0.365	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.6	134.5	179.8	-179.3	-87.9	0	0	0	113	A223 G224 S245 N249 N271 K272	A223-Y247 CarbonylContact C-O 3.23Å; A223-Y247 WeakPolarHBondContact CA-O 3.45Å; A223-Y247 HydrophobicContact CB-CD1 4.32Å; G224-Y247 PolarHBondContact N-O 3.47Å; S245-Y247 WeakPolarHBondContact OG-CB 3.19Å; S245-Y247 PolarHBondContact OG-N 3.04Å; Y247-N249 VanDerWaalsContact C-N 3.25Å; Y247-N249 PolarHBondContact O-N 2.76Å; Y247-N249 VanDerWaalsContact O-N 3.16Å; Y247-N249 PolarHBondContact O-ND2 3.48Å; Y247-N271 WeakPolarHBondContact CA-O 3.21Å; Y247-N271 HydrophobicContact CD2-CB 3.9Å; Y247-N271 HydrophobicContact CE2-CB 4.28Å; Y247-K272 HydrophobicContact CE1-CD 4.1Å; Y247-K272 HydrophobicContact CE2-CB 4.47Å; Y247-K272 HydrophobicContact CE2-CD 4.48Å
248	D	97.6	Very high	97.1	Very high	45 Å²	45	38.4 Å²	38.4	24%	0.241	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	31.5	175.8	-157.7	3.6	0	0	0	116.2	F246 K250 N271 K272	F246-D248 PolarHBondContact O-N 2.8Å; D248-K250 PolarHBondContact O-NZ 3.38Å; D248-K250 IonicContact OD1-NZ 3.84Å; D248-K250 PolarHBondContact OD1-NZ 3.48Å; D248-N271 PolarHBondContact N-O 3.18Å; D248-K272 HydrophobicContact CB-CB 4.39Å; D248-K272 HydrophobicContact CB-CD 3.84Å; D248-K272 HydrophobicContact CB-CG 4.21Å; D248-K272 IonicContact OD1-NZ 3.9Å; D248-K272 WeakPolarHBondContact OD2-CE 3.5Å; D248-K272 IonicContact OD2-NZ 3.98Å; D248-K272 PolarHBondContact OD2-NZ 3.14Å
249	N	97.9	Very high	97.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.199	C	C	.	.			trans	-84	-169.1	165.6	-76.4	-76.4	0	0	0	110.9	L222 M225 Y226 L227 F246 Y247 L251 N273	L222-N249 PolarHBondContact O-ND2 3.3Å; M225-N249 WeakPolarHBondContact CA-OD1 3.39Å; M225-N249 WeakPolarHBondContact CB-OD1 3.46Å; M225-N249 PolarHBondContact N-OD1 3.38Å; M225-N249 VanDerWaalsContact N-OD1 3.16Å; Y226-N249 PolarHBondContact N-OD1 2.79Å; Y226-N249 VanDerWaalsContact N-OD1 3.17Å; L227-N249 HydrophobicContact CB-CB 4.23Å; L227-N249 WeakPolarHBondContact CB-OD1 3.27Å; L227-N249 WeakPolarHBondContact CG-OD1 3.43Å; L227-N249 PolarHBondContact N-OD1 3.21Å; F246-N249 VanDerWaalsContact C-ND2 3.27Å; F246-N249 WeakPolarHBondContact O-CB 3.31Å; F246-N249 PolarHBondContact O-N 3.23Å; F246-N249 PolarHBondContact O-ND2 2.96Å; Y247-N249 VanDerWaalsContact C-N 3.25Å; Y247-N249 PolarHBondContact O-N 2.76Å; Y247-N249 VanDerWaalsContact O-N 3.16Å; Y247-N249 PolarHBondContact O-ND2 3.48Å; N249-L251 HydrophobicContact CB-CG 4.16Å; N249-N273 VanDerWaalsContact CA-OD1 3.3Å; N249-N273 WeakPolarHBondContact CA-OD1 3.42Å; N249-N273 WeakPolarHBondContact CB-OD1 3.48Å; N249-N273 PolarHBondContact N-OD1 3.43Å; N249-N273 PolarHBondContact O-OD1 3.45Å
250	K	97	Very high	97.2	Very high	67 Å²	67	39.4 Å²	39.4	29%	0.291	20%	0.2	S	C	.	.			trans	-122.8	30	-175.8	-54.3	-65.6	158.2	-85.3	0	110.4	L227 T228 D248 V252 N273	L227-K250 CarbonylContact O-C 3.47Å; L227-K250 VanDerWaalsContact O-CA 3.31Å; L227-K250 WeakPolarHBondContact O-CA 3.48Å; L227-K250 PolarHBondContact O-N 2.88Å; T228-K250 HydrophobicContact CG2-CB 4.15Å; D248-K250 PolarHBondContact O-NZ 3.38Å; D248-K250 IonicContact OD1-NZ 3.84Å; D248-K250 PolarHBondContact OD1-NZ 3.48Å; K250-V252 PolarHBondContact O-N 3.21Å; K250-N273 PolarHBondContact N-OD1 3.09Å
251	L	97.3	Very high	97.2	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	20%	0.201	C	C	.	.			trans	-65.7	121.2	178.2	-57.6	176.9	0	0	0	110	L227 I230 F246 N249 L270 N273 P274 I275	L227-L251 HydrophobicContact CB-CD2 4.41Å; L227-L251 WeakPolarHBondContact O-CD2 3.49Å; L227-L251 PolarHBondContact O-N 3.04Å; L227-L251 VanDerWaalsContact O-N 3.14Å; I230-L251 HydrophobicContact CD1-CD2 4.19Å; I230-L251 HydrophobicContact CG1-CD2 3.95Å; F246-L251 HydrophobicContact CB-CD1 3.9Å; F246-L251 HydrophobicContact CD1-CD1 4.38Å; F246-L251 HydrophobicContact CD2-CD1 4.49Å; F246-L251 HydrophobicContact CG-CD1 4.05Å; N249-L251 HydrophobicContact CB-CG 4.16Å; L251-L270 HydrophobicContact CD1-CD2 4.35Å; L251-N273 HydrophobicContact CB-CB 4.34Å; L251-N273 WeakPolarHBondContact CB-OD1 3.42Å; L251-N273 WeakPolarHBondContact CG-OD1 3.4Å; L251-N273 PolarHBondContact N-OD1 3.22Å; L251-N273 VanDerWaalsContact N-OD1 3.17Å; L251-P274 CarbonylContact O-C 3.53Å; L251-P274 VanDerWaalsContact O-C 3.31Å; L251-P274 VanDerWaalsContact O-CD 3.26Å; L251-P274 WeakPolarHBondContact O-CD 3.46Å; L251-P274 WeakPolarHBondContact O-CG 3.28Å; L251-I275 HydrophobicContact CB-CG1 4.43Å; L251-I275 WeakPolarHBondContact O-CG1 3.43Å; L251-I275 PolarHBondContact O-N 3.48Å
252	V	95.6	Very high	97.1	Very high	91 Å²	91	40.9 Å²	40.9	55%	0.552	20%	0.202	S	C	*	.	S	Bend	trans	-90.7	-7.8	-180	-64.2	0	0	0	0	113.9	K250 P274 H276	K250-V252 PolarHBondContact O-N 3.21Å; V252-P274 HydrophobicContact CG1-CG 4.36Å; V252-H276 PolarHBondContact O-N 3.01Å
253	K	96	Very high	96.9	Very high	93 Å²	93	42.1 Å²	42.1	40%	0.404	21%	0.214	S	C	.	.	S	Bend	trans	-148.7	160.3	-176.7	61.8	-179	178.6	177.8	0	109.1	D229	D229-K253 WeakPolarHBondContact OD1-CE 3.38Å; D229-K253 IonicContact OD1-NZ 3.42Å; D229-K253 PolarHBondContact OD1-NZ 3.44Å; D229-K253 WeakPolarHBondContact OD2-CE 3.43Å; D229-K253 IonicContact OD2-NZ 2.64Å; D229-K253 PolarHBondContact OD2-NZ 2.98Å
254	V	97.6	Very high	96.8	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.03	22%	0.219	C	C	.	.			trans	-70.1	135.4	169.8	-178.2	0	0	0	0	109.6	Q256 L259 L270 I275 I278 D282 F283	V254-Q256 PolarHBondContact O-N 3.14Å; V254-L259 HydrophobicContact CG1-CD1 3.64Å; V254-L270 HydrophobicContact CG1-CD1 4.4Å; V254-L270 HydrophobicContact CG2-CD1 4.41Å; V254-I275 HydrophobicContact CG2-CD1 4.21Å; V254-I275 HydrophobicContact CG2-CG2 4.47Å; V254-I278 HydrophobicContact CG2-CD1 3.76Å; V254-D282 HydrophobicContact CB-CB 3.91Å; V254-D282 HydrophobicContact CG1-CB 4.05Å; V254-D282 HydrophobicContact CG2-CB 4Å; V254-D282 WeakPolarHBondContact CG2-OD2 3.24Å; V254-F283 HydrophobicContact CG1-CD1 4.3Å; V254-F283 HydrophobicContact CG1-CE1 3.63Å; V254-F283 HydrophobicContact CG1-CZ 3.93Å; V254-F283 HydrophobicContact CG2-CE1 4.38Å; V254-F283 HydrophobicContact CG2-CE2 4.36Å; V254-F283 HydrophobicContact CG2-CZ 3.82Å
255	P	96.8	Very high	96.8	Very high	7 Å²	7	43.7 Å²	43.7	5%	0.045	22%	0.22	C	C	.	.			trans	-78.8	54.7	179.3	32	-35.3	0	0	0	112.7	I230 F246 L257 A258 L259	I230-P255 HydrophobicContact CB-CB 3.76Å; I230-P255 HydrophobicContact CG1-CB 3.92Å; I230-P255 HydrophobicContact CG1-CG 4.24Å; F246-P255 HydrophobicContact CE2-CG 4.2Å; P255-L257 VanDerWaalsContact C-N 3.34Å; P255-L257 PolarHBondContact O-N 3.14Å; P255-L257 VanDerWaalsContact O-N 3.15Å; P255-A258 HydrophobicContact CB-CB 4.44Å; P255-A258 PolarHBondContact O-N 3.22Å; P255-L259 HydrophobicContact CG-CD1 4.32Å; P255-L259 HydrophobicContact CG-CG 4.24Å; P255-L259 PolarHBondContact O-N 3.34Å
256	Q	95.4	Very high	96.8	Very high	55 Å²	55	45.8 Å²	45.8	26%	0.257	23%	0.227	S	C	.	.	H	α-helix	trans	-43.8	-50.3	-172.6	-175.4	-164.5	42.2	0	0	114	V254 A258 L259 Q260 G281	V254-Q256 PolarHBondContact O-N 3.14Å; Q256-A258 VanDerWaalsContact C-N 3.29Å; Q256-A258 PolarHBondContact O-N 2.97Å; Q256-L259 PolarHBondContact O-N 3.15Å; Q256-Q260 WeakPolarHBondContact O-CG 2.95Å; Q256-Q260 PolarHBondContact O-N 3.43Å; Q256-G281 PolarHBondContact NE2-O 2.75Å
257	L	95.7	Very high	96.8	Very high	108 Å²	108	50 Å²	50	57%	0.565	25%	0.245	S	C	*	.	H	α-helix	trans	-64.5	-31.8	-176.5	-64	178.4	0	0	0	113.3	P255 K261	P255-L257 VanDerWaalsContact C-N 3.34Å; P255-L257 PolarHBondContact O-N 3.14Å; P255-L257 VanDerWaalsContact O-N 3.15Å; L257-K261 WeakPolarHBondContact O-CE 3.42Å
258	A	97.4	Very high	96.9	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.008	23%	0.229	C	C	.	.	H	α-helix	trans	-79.6	-39.7	176.7	0	0	0	0	0	111.3	I230 L235 P255 Q256 Q260 K261	I230-A258 HydrophobicContact CG2-CB 3.86Å; L235-A258 HydrophobicContact CD1-CB 4.14Å; L235-A258 HydrophobicContact CG-CB 4.32Å; P255-A258 HydrophobicContact CB-CB 4.44Å; P255-A258 PolarHBondContact O-N 3.22Å; Q256-A258 VanDerWaalsContact C-N 3.29Å; Q256-A258 PolarHBondContact O-N 2.97Å; A258-Q260 VanDerWaalsContact C-N 3.26Å; A258-Q260 PolarHBondContact O-N 3.26Å; A258-K261 VanDerWaalsContact O-CB 3.29Å; A258-K261 WeakPolarHBondContact O-CB 3.2Å; A258-K261 WeakPolarHBondContact O-CG 2.86Å; A258-K261 PolarHBondContact O-N 2.94Å
259	L	97.2	Very high	96.9	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.016	23%	0.227	C	C	.	.	H	α-helix	trans	-62.1	-33.1	175.9	-65.8	175.7	0	0	0	112.2	L244 V254 P255 Q256 K261 V262 L265 L268 F283 M286	L244-L259 HydrophobicContact CD2-CD2 4.03Å; V254-L259 HydrophobicContact CG1-CD1 3.64Å; P255-L259 HydrophobicContact CG-CD1 4.32Å; P255-L259 HydrophobicContact CG-CG 4.24Å; P255-L259 PolarHBondContact O-N 3.34Å; Q256-L259 PolarHBondContact O-N 3.15Å; L259-K261 PolarHBondContact O-N 3.24Å; L259-K261 VanDerWaalsContact O-N 3.08Å; L259-V262 VanDerWaalsContact O-CG2 3.27Å; L259-V262 WeakPolarHBondContact O-CG2 3.47Å; L259-V262 PolarHBondContact O-N 3.44Å; L259-V262 VanDerWaalsContact O-N 3.12Å; L259-L265 HydrophobicContact CD2-CD2 4.41Å; L259-L268 HydrophobicContact CD1-CD2 3.74Å; L259-L268 HydrophobicContact CD2-CD1 4.02Å; L259-L268 HydrophobicContact CD2-CD2 3.94Å; L259-F283 HydrophobicContact CD1-CD1 4.4Å; L259-F283 HydrophobicContact CD1-CE1 4.27Å; L259-M286 HydrophobicContact CB-CE 4.18Å; L259-M286 HydrophobicContact CB-SD 4.28Å; L259-M286 HydrophobicContact CD1-SD 4.41Å; L259-M286 HydrophobicContact CD2-CE 4.44Å
260	Q	94.9	Very high	96.9	Very high	111 Å²	111	45.3 Å²	45.3	52%	0.519	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-8.9	171.5	-73	174.2	11.6	0	0	114.4	Q256 A258	Q256-Q260 WeakPolarHBondContact O-CG 2.95Å; Q256-Q260 PolarHBondContact O-N 3.43Å; A258-Q260 VanDerWaalsContact C-N 3.26Å; A258-Q260 PolarHBondContact O-N 3.26Å
261	K	96.2	Very high	97	Very high	72 Å²	72	43.2 Å²	43.2	31%	0.313	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-8.3	175.2	-48.3	-56.4	-177	177.9	0	113.8	G232 N233 L235 V236 L257 A258 L259 P263	G232-K261 WeakPolarHBondContact O-CE 3.36Å; N233-K261 WeakPolarHBondContact OD1-CE 3.49Å; N233-K261 PolarHBondContact OD1-NZ 3.05Å; L235-K261 HydrophobicContact CB-CB 4.43Å; V236-K261 HydrophobicContact CG2-CB 4.21Å; V236-K261 HydrophobicContact CG2-CD 3.93Å; V236-K261 HydrophobicContact CG2-CG 3.88Å; L257-K261 WeakPolarHBondContact O-CE 3.42Å; A258-K261 VanDerWaalsContact O-CB 3.29Å; A258-K261 WeakPolarHBondContact O-CB 3.2Å; A258-K261 WeakPolarHBondContact O-CG 2.86Å; A258-K261 PolarHBondContact O-N 2.94Å; L259-K261 PolarHBondContact O-N 3.24Å; L259-K261 VanDerWaalsContact O-N 3.08Å; K261-P263 VanDerWaalsContact C-CD 3.46Å; K261-P263 VanDerWaalsContact O-CD 3.31Å; K261-P263 WeakPolarHBondContact O-CD 3.33Å
262	V	96.8	Very high	97	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.018	24%	0.236	C	C	.	.			trans	-120.6	67.9	-176.9	-70.7	0	0	0	0	111.1	L235 L238 L241 L259 N264 L265	L235-V262 HydrophobicContact CB-CG1 3.94Å; L235-V262 HydrophobicContact CD1-CG1 4.28Å; L235-V262 HydrophobicContact CD1-CG2 4.27Å; L238-V262 HydrophobicContact CB-CG1 3.98Å; L241-V262 HydrophobicContact CB-CG1 4.24Å; L241-V262 HydrophobicContact CD2-CB 4.38Å; L241-V262 HydrophobicContact CD2-CG1 3.86Å; L259-V262 VanDerWaalsContact O-CG2 3.27Å; L259-V262 WeakPolarHBondContact O-CG2 3.47Å; L259-V262 PolarHBondContact O-N 3.44Å; L259-V262 VanDerWaalsContact O-N 3.12Å; V262-N264 PolarHBondContact O-N 3.07Å; V262-N264 VanDerWaalsContact O-N 3.14Å; V262-L265 HydrophobicContact CB-CB 4.49Å; V262-L265 HydrophobicContact CG2-CB 4.28Å; V262-L265 HydrophobicContact CG2-CD2 4.28Å; V262-L265 WeakPolarHBondContact O-CB 3.37Å; V262-L265 PolarHBondContact O-N 3.25Å
263	P	94.1	Very high	97.1	Very high	78 Å²	78	42.9 Å²	42.9	51%	0.506	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-15	-169	29.5	-37.6	0	0	0	114.8	K261	K261-P263 VanDerWaalsContact C-CD 3.46Å; K261-P263 VanDerWaalsContact O-CD 3.31Å; K261-P263 WeakPolarHBondContact O-CD 3.33Å
264	N	96.4	Very high	97.2	Very high	70 Å²	70	40.1 Å²	40.1	37%	0.374	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	1.7	178.7	-71	-49.5	0	0	0	114	D239 L241 V262 K266	D239-N264 PolarHBondContact O-ND2 3.3Å; L241-N264 CarbonylContact O-C 3.56Å; L241-N264 VanDerWaalsContact O-C 3.25Å; V262-N264 PolarHBondContact O-N 3.07Å; V262-N264 VanDerWaalsContact O-N 3.14Å; N264-K266 WeakPolarHBondContact O-CG 3.46Å; N264-K266 PolarHBondContact O-N 3.42Å
265	L	98.3	Very high	97.2	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.01	20%	0.2	C	C	.	.			trans	-60.8	128.4	-176.2	-166	74.7	0	0	0	111.9	L241 L244 L259 V262 L268 M286 R288 L289	L241-L265 HydrophobicContact CD2-CD1 4.08Å; L241-L265 HydrophobicContact CG-CD1 4.14Å; L241-L265 WeakPolarHBondContact O-CA 3.44Å; L241-L265 PolarHBondContact O-N 3.12Å; L244-L265 HydrophobicContact CB-CD1 3.62Å; L244-L265 HydrophobicContact CB-CD2 4.21Å; L244-L265 HydrophobicContact CD2-CD2 4.46Å; L259-L265 HydrophobicContact CD2-CD2 4.41Å; V262-L265 HydrophobicContact CB-CB 4.49Å; V262-L265 HydrophobicContact CG2-CB 4.28Å; V262-L265 HydrophobicContact CG2-CD2 4.28Å; V262-L265 WeakPolarHBondContact O-CB 3.37Å; V262-L265 PolarHBondContact O-N 3.25Å; L265-L268 HydrophobicContact CD2-CB 3.94Å; L265-L268 HydrophobicContact CD2-CD1 4.19Å; L265-L268 HydrophobicContact CD2-CD2 4.49Å; L265-L268 HydrophobicContact CD2-CG 4.42Å; L265-M286 HydrophobicContact CB-CE 4.48Å; L265-M286 HydrophobicContact CD2-CE 3.77Å; L265-R288 CarbonylContact O-C 3.54Å; L265-L289 VanDerWaalsContact O-CA 3.28Å; L265-L289 WeakPolarHBondContact O-CA 3.48Å; L265-L289 PolarHBondContact O-N 2.83Å; L265-L289 VanDerWaalsContact O-N 3.1Å
266	K	98.4	Very high	97	Very high	57 Å²	57	43.2 Å²	43.2	25%	0.248	22%	0.215	C	C	.	.			trans	-108.7	-33.2	-177.8	-55.9	176.2	-163.6	168.3	0	112.3	E242 N264 R288 K290 E291	E242-K266 HydrophobicContact CB-CD 4.16Å; E242-K266 HydrophobicContact CB-CG 4.37Å; E242-K266 VanDerWaalsContact CD-CE 3.47Å; E242-K266 HydrophobicContact CG-CD 4.46Å; E242-K266 WeakPolarHBondContact O-CA 3.35Å; E242-K266 WeakPolarHBondContact O-CB 3.32Å; E242-K266 PolarHBondContact O-N 2.84Å; E242-K266 IonicContact OE1-NZ 2.79Å; E242-K266 PolarHBondContact OE1-NZ 2.96Å; E242-K266 WeakPolarHBondContact OE2-CE 3.45Å; E242-K266 IonicContact OE2-NZ 3.79Å; E242-K266 PolarHBondContact OE2-NZ 3.17Å; N264-K266 WeakPolarHBondContact O-CG 3.46Å; N264-K266 PolarHBondContact O-N 3.42Å; K266-R288 WeakPolarHBondContact CA-O 3.31Å; K266-K290 HydrophobicContact CB-CG 4.19Å; K266-K290 WeakPolarHBondContact O-CA 3.38Å; K266-K290 WeakPolarHBondContact O-CB 3.33Å; K266-K290 PolarHBondContact O-N 3.07Å; K266-E291 PolarHBondContact O-N 3.23Å; K266-E291 VanDerWaalsContact O-N 3.17Å
267	F	98.7	Very high	96.9	Very high	87 Å²	87	42.8 Å²	42.8	38%	0.382	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	123.5	-178.3	-53.6	-87.5	0	0	0	109.4	E242 L244 E291	E242-F267 PolarHBondContact O-N 3.38Å; L244-F267 PolarHBondContact N-O 2.85Å; F267-E291 HydrophobicContact CD1-CB 3.87Å; F267-E291 HydrophobicContact CE1-CB 4.35Å
268	L	98.6	Very high	97	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	120.1	174.8	178.9	57.3	0	0	0	110.6	L244 F246 L259 L265 L270 F283 M286 L289 E291 L292 G293	L244-L268 HydrophobicContact CB-CD1 4.38Å; L244-L268 HydrophobicContact CD2-CD1 4.41Å; L244-L268 HydrophobicContact CG-CD1 4.35Å; F246-L268 HydrophobicContact CD2-CD1 4.33Å; L259-L268 HydrophobicContact CD1-CD2 3.74Å; L259-L268 HydrophobicContact CD2-CD1 4.02Å; L259-L268 HydrophobicContact CD2-CD2 3.94Å; L265-L268 HydrophobicContact CD2-CB 3.94Å; L265-L268 HydrophobicContact CD2-CD1 4.19Å; L265-L268 HydrophobicContact CD2-CD2 4.49Å; L265-L268 HydrophobicContact CD2-CG 4.42Å; L268-L270 HydrophobicContact CD1-CD2 4.42Å; L268-L270 HydrophobicContact CD1-CG 4.3Å; L268-L270 HydrophobicContact CD2-CD1 4.2Å; L268-L270 HydrophobicContact CD2-CG 4.44Å; L268-L270 HydrophobicContact CG-CD1 4.41Å; L268-L270 HydrophobicContact CG-CG 4.15Å; L268-F283 HydrophobicContact CD2-CD1 4.15Å; L268-F283 HydrophobicContact CD2-CE1 3.73Å; L268-M286 HydrophobicContact CD2-CE 4.25Å; L268-L289 HydrophobicContact CB-CD1 3.75Å; L268-E291 PolarHBondContact N-O 3.11Å; L268-L292 HydrophobicContact CB-CD1 4.1Å; L268-L292 HydrophobicContact CD2-CD1 4.01Å; L268-L292 HydrophobicContact CG-CD1 4.02Å; L268-L292 WeakPolarHBondContact O-CA 3.41Å; L268-G293 PolarHBondContact O-N 3.12Å
269	D	98.6	Very high	96.8	Very high	37 Å²	37	41.5 Å²	41.5	20%	0.198	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	111.4	177.5	165.9	22.5	0	0	0	110	L244 S245 F246 N271	L244-D269 PolarHBondContact O-N 2.8Å; S245-D269 WeakPolarHBondContact CB-OD2 3.35Å; S245-D269 PolarHBondContact OG-OD2 3.11Å; F246-D269 PolarHBondContact N-O 2.78Å; D269-N271 WeakPolarHBondContact OD1-CB 3.42Å; D269-N271 PolarHBondContact OD1-N 3.48Å; D269-N271 PolarHBondContact OD1-ND2 2.6Å
270	L	98.4	Very high	96.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.222	C	C	.	.			trans	-111	11.7	173.6	-66.9	169.7	0	0	0	111.6	F246 L251 V254 L268 N273 I275 F283 L292 G293 I294	F246-L270 HydrophobicContact CB-CD2 4.28Å; F246-L270 HydrophobicContact CD2-CD2 3.86Å; F246-L270 HydrophobicContact CG-CD2 4.5Å; L251-L270 HydrophobicContact CD1-CD2 4.35Å; V254-L270 HydrophobicContact CG1-CD1 4.4Å; V254-L270 HydrophobicContact CG2-CD1 4.41Å; L268-L270 HydrophobicContact CD1-CD2 4.42Å; L268-L270 HydrophobicContact CD1-CG 4.3Å; L268-L270 HydrophobicContact CD2-CD1 4.2Å; L268-L270 HydrophobicContact CD2-CG 4.44Å; L268-L270 HydrophobicContact CG-CD1 4.41Å; L268-L270 HydrophobicContact CG-CG 4.15Å; L270-N273 PolarHBondContact O-ND2 2.86Å; L270-I275 HydrophobicContact CB-CD1 4.47Å; L270-I275 HydrophobicContact CD1-CD1 4.37Å; L270-F283 HydrophobicContact CD1-CE1 3.77Å; L270-F283 HydrophobicContact CD1-CZ 3.64Å; L270-L292 HydrophobicContact CD1-CD1 4.41Å; L270-G293 PolarHBondContact N-O 2.89Å; L270-I294 HydrophobicContact CB-CG2 4.26Å; L270-I294 HydrophobicContact CD1-CG2 4.34Å
271	N	98.4	Very high	96.3	Very high	23 Å²	23	40.6 Å²	40.6	12%	0.123	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	148.2	-172.1	-63.3	-49.8	0	0	0	112	Y247 D248 D269 N273 G293 I294 N295	Y247-N271 WeakPolarHBondContact CA-O 3.21Å; Y247-N271 HydrophobicContact CD2-CB 3.9Å; Y247-N271 HydrophobicContact CE2-CB 4.28Å; D248-N271 PolarHBondContact N-O 3.18Å; D269-N271 WeakPolarHBondContact OD1-CB 3.42Å; D269-N271 PolarHBondContact OD1-N 3.48Å; D269-N271 PolarHBondContact OD1-ND2 2.6Å; N271-N273 PolarHBondContact O-N 2.64Å; N271-N273 PolarHBondContact O-ND2 3.45Å; N271-G293 PolarHBondContact N-O 2.88Å; N271-G293 PolarHBondContact OD1-O 3.38Å; N271-I294 PolarHBondContact OD1-N 3.38Å; N271-N295 CarbonylContact C-O 3.59Å; N271-N295 VanDerWaalsContact CA-O 3.29Å; N271-N295 WeakPolarHBondContact CA-O 3.36Å; N271-N295 WeakPolarHBondContact OD1-CA 3.38Å; N271-N295 WeakPolarHBondContact OD1-CB 3.31Å; N271-N295 PolarHBondContact OD1-N 2.76Å; N271-N295 PolarHBondContact OD1-ND2 2.94Å
272	K	97.8	Very high	96.3	Very high	82 Å²	82	37.3 Å²	37.3	36%	0.357	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	23.4	174.1	-161.6	176.3	168.9	-160.3	0	114.7	Y247 D248 N295 N296	Y247-K272 HydrophobicContact CE1-CD 4.1Å; Y247-K272 HydrophobicContact CE2-CB 4.47Å; Y247-K272 HydrophobicContact CE2-CD 4.48Å; D248-K272 HydrophobicContact CB-CB 4.39Å; D248-K272 HydrophobicContact CB-CD 3.84Å; D248-K272 HydrophobicContact CB-CG 4.21Å; D248-K272 IonicContact OD1-NZ 3.9Å; D248-K272 WeakPolarHBondContact OD2-CE 3.5Å; D248-K272 IonicContact OD2-NZ 3.98Å; D248-K272 PolarHBondContact OD2-NZ 3.14Å; K272-N295 PolarHBondContact N-O 3.09Å; K272-N296 HydrophobicContact CB-CB 4.35Å
273	N	98.4	Very high	96.3	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.011	19%	0.186	C	C	.	.			trans	-92.6	155.5	169.3	-78.3	-86.9	0	0	0	112.6	F246 N249 K250 L251 L270 N271 I275 M297	F246-N273 PolarHBondContact O-ND2 3.4Å; N249-N273 VanDerWaalsContact CA-OD1 3.3Å; N249-N273 WeakPolarHBondContact CA-OD1 3.42Å; N249-N273 WeakPolarHBondContact CB-OD1 3.48Å; N249-N273 PolarHBondContact N-OD1 3.43Å; N249-N273 PolarHBondContact O-OD1 3.45Å; K250-N273 PolarHBondContact N-OD1 3.09Å; L251-N273 HydrophobicContact CB-CB 4.34Å; L251-N273 WeakPolarHBondContact CB-OD1 3.42Å; L251-N273 WeakPolarHBondContact CG-OD1 3.4Å; L251-N273 PolarHBondContact N-OD1 3.22Å; L251-N273 VanDerWaalsContact N-OD1 3.17Å; L270-N273 PolarHBondContact O-ND2 2.86Å; N271-N273 PolarHBondContact O-N 2.64Å; N271-N273 PolarHBondContact O-ND2 3.45Å; N273-I275 HydrophobicContact CB-CD1 4.29Å; N273-I275 HydrophobicContact CB-CG1 4Å; N273-I275 PolarHBondContact O-N 3.14Å; N273-M297 HydrophobicContact CB-SD 3.97Å; N273-M297 WeakPolarHBondContact O-CA 3.47Å; N273-M297 WeakPolarHBondContact O-CB 3.49Å; N273-M297 WeakPolarHBondContact O-CG 3.25Å; N273-M297 VanDerWaalsContact O-SD 3.33Å
274	P	97.4	Very high	96.3	Very high	36 Å²	36	37.4 Å²	37.4	23%	0.234	18%	0.179	C	C	.	.			trans	-85.2	42.3	174.9	36.9	-37.8	0	0	0	113	L251 V252 H276 E299	L251-P274 CarbonylContact O-C 3.53Å; L251-P274 VanDerWaalsContact O-C 3.31Å; L251-P274 VanDerWaalsContact O-CD 3.26Å; L251-P274 WeakPolarHBondContact O-CD 3.46Å; L251-P274 WeakPolarHBondContact O-CG 3.28Å; V252-P274 HydrophobicContact CG1-CG 4.36Å; P274-H276 PolarHBondContact O-N 2.82Å; P274-E299 HydrophobicContact CB-CB 4.28Å; P274-E299 HydrophobicContact CB-CG 4.02Å
275	I	97.3	Very high	96.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.183	C	C	.	.			trans	-72.1	118.8	178.8	-60.6	176.9	0	0	0	109.1	L251 V254 L270 N273 K277 I278 M297 E299 L300	L251-I275 HydrophobicContact CB-CG1 4.43Å; L251-I275 WeakPolarHBondContact O-CG1 3.43Å; L251-I275 PolarHBondContact O-N 3.48Å; V254-I275 HydrophobicContact CG2-CD1 4.21Å; V254-I275 HydrophobicContact CG2-CG2 4.47Å; L270-I275 HydrophobicContact CB-CD1 4.47Å; L270-I275 HydrophobicContact CD1-CD1 4.37Å; N273-I275 HydrophobicContact CB-CD1 4.29Å; N273-I275 HydrophobicContact CB-CG1 4Å; N273-I275 PolarHBondContact O-N 3.14Å; I275-K277 WeakPolarHBondContact CG2-O 3.05Å; I275-I278 HydrophobicContact CG2-CD1 3.99Å; I275-M297 HydrophobicContact CB-CE 4.36Å; I275-M297 HydrophobicContact CB-SD 3.83Å; I275-M297 HydrophobicContact CD1-SD 4.03Å; I275-M297 HydrophobicContact CG1-SD 4Å; I275-E299 CarbonylContact O-C 3.59Å; I275-L300 WeakPolarHBondContact O-CA 3.41Å; I275-L300 WeakPolarHBondContact O-CB 3.41Å; I275-L300 PolarHBondContact O-N 2.96Å
276	H	92.6	Very high	96.2	Very high	76 Å²	76	39 Å²	39	35%	0.352	19%	0.187	S	C	.	.			trans	-72.1	-36.3	-173.2	-173.5	-95.9	0	0	0	113.7	V252 P274 E299 V301	V252-H276 PolarHBondContact O-N 3.01Å; P274-H276 PolarHBondContact O-N 2.82Å; H276-E299 WeakPolarHBondContact CA-O 3.27Å; H276-V301 PolarHBondContact O-N 3.09Å
277	K	93.4	Very high	96.1	Very high	46 Å²	46	40.1 Å²	40.1	20%	0.2	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	154	176.7	61.8	-176.6	-179.6	-177.3	0	111.2	I275 S302 D304 D446	I275-K277 WeakPolarHBondContact CG2-O 3.05Å; K277-S302 VanDerWaalsContact CA-O 3.29Å; K277-S302 WeakPolarHBondContact CA-O 3.46Å; K277-S302 WeakPolarHBondContact CB-O 3.36Å; K277-D304 IonicContact NZ-OD2 3.77Å; K277-D446 IonicContact NZ-OD1 3.75Å; K277-D446 PolarHBondContact NZ-OD1 2.76Å; K277-D446 IonicContact NZ-OD2 2.81Å; K277-D446 PolarHBondContact NZ-OD2 3.06Å
278	I	96.8	Very high	96.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	120.8	163.5	-45.1	-57.2	0	0	0	107.4	V254 I275 D282 F283 L300 S302 V303 D304 A307	V254-I278 HydrophobicContact CG2-CD1 3.76Å; I275-I278 HydrophobicContact CG2-CD1 3.99Å; I278-D282 HydrophobicContact CG2-CB 4.01Å; I278-F283 HydrophobicContact CD1-CE2 4.34Å; I278-F283 HydrophobicContact CG2-CD2 3.92Å; I278-F283 HydrophobicContact CG2-CE2 3.48Å; I278-F283 VanDerWaalsContact CG2-CE2 3.48Å; I278-F283 HydrophobicContact CG2-CZ 4.47Å; I278-L300 HydrophobicContact CD1-CD1 4.37Å; I278-L300 HydrophobicContact CG1-CD1 4.16Å; I278-S302 PolarHBondContact N-O 3.16Å; I278-V303 HydrophobicContact CB-CG1 4.34Å; I278-V303 HydrophobicContact CB-CG2 4.4Å; I278-V303 HydrophobicContact CG1-CG2 4.25Å; I278-D304 PolarHBondContact O-N 2.77Å; I278-A307 HydrophobicContact CB-CB 4.32Å; I278-A307 HydrophobicContact CG2-CB 3.74Å
279	Q	93.9	Very high	96.1	Very high	83 Å²	83	41.5 Å²	41.5	39%	0.388	20%	0.198	S	C	.	.			trans	-106.7	166.9	-170.6	53.7	170.8	13.9	0	0	112.1	G281 D282 A307	Q279-G281 PolarHBondContact O-N 3.2Å; Q279-G281 VanDerWaalsContact O-N 3.11Å; Q279-D282 WeakPolarHBondContact CG-OD1 3.1Å; Q279-D282 WeakPolarHBondContact CG-OD2 3.29Å; Q279-D282 PolarHBondContact N-OD2 3.07Å; Q279-D282 PolarHBondContact NE2-OD1 2.78Å; Q279-D282 PolarHBondContact O-N 2.73Å; Q279-A307 WeakPolarHBondContact O-CA 3.33Å
280	E	92.4	Very high	96.1	Very high	87 Å²	87	43 Å²	43	41%	0.407	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	117.6	177.5	175	165.6	-165.9	0	0	111.3	R305	E280-R305 WeakPolarHBondContact CA-O 3.44Å; E280-R305 WeakPolarHBondContact CB-O 3.44Å; E280-R305 IonicContact OE2-CZ 2.68Å; E280-R305 VanDerWaalsContact OE2-CZ 3.24Å; E280-R305 IonicContact OE2-NE 3.43Å; E280-R305 PolarHBondContact OE2-NE 3.35Å; E280-R305 IonicContact OE2-NH2 3.62Å; E280-R305 PolarHBondContact OE2-NH2 2.88Å
281	G	89.8	Confident	96.1	Very high	7 Å²	7	45.9 Å²	45.9	7%	0.072	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.6	-8.2	174.4	0	0	0	0	0	117	Q256 Q279 F283 K284 Y306	Q256-G281 PolarHBondContact NE2-O 2.75Å; Q279-G281 PolarHBondContact O-N 3.2Å; Q279-G281 VanDerWaalsContact O-N 3.11Å; G281-F283 VanDerWaalsContact C-N 3.31Å; G281-F283 PolarHBondContact O-N 3.42Å; G281-K284 VanDerWaalsContact O-CB 3.31Å; G281-K284 WeakPolarHBondContact O-CB 3.36Å; G281-K284 PolarHBondContact O-N 2.85Å; G281-K284 VanDerWaalsContact O-N 3.11Å; G281-Y306 PolarHBondContact N-O 2.76Å
282	D	95.6	Very high	96.1	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.016	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-41.4	-173.4	-85	-16.4	0	0	0	113.9	V254 I278 Q279	V254-D282 HydrophobicContact CB-CB 3.91Å; V254-D282 HydrophobicContact CG1-CB 4.05Å; V254-D282 HydrophobicContact CG2-CB 4Å; V254-D282 WeakPolarHBondContact CG2-OD2 3.24Å; I278-D282 HydrophobicContact CG2-CB 4.01Å; Q279-D282 WeakPolarHBondContact CG-OD1 3.1Å; Q279-D282 WeakPolarHBondContact CG-OD2 3.29Å; Q279-D282 PolarHBondContact N-OD2 3.07Å; Q279-D282 PolarHBondContact NE2-OD1 2.78Å; Q279-D282 PolarHBondContact O-N 2.73Å
283	F	96.6	Very high	96.1	Very high	1 Å²	1	41.1 Å²	41.1	0%	0.004	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	16.7	178.6	-56.4	-63.5	0	0	0	113.5	V254 L259 L268 L270 I278 G281 N285 M286 L292 L308 L311	V254-F283 HydrophobicContact CG1-CD1 4.3Å; V254-F283 HydrophobicContact CG1-CE1 3.63Å; V254-F283 HydrophobicContact CG1-CZ 3.93Å; V254-F283 HydrophobicContact CG2-CE1 4.38Å; V254-F283 HydrophobicContact CG2-CE2 4.36Å; V254-F283 HydrophobicContact CG2-CZ 3.82Å; L259-F283 HydrophobicContact CD1-CD1 4.4Å; L259-F283 HydrophobicContact CD1-CE1 4.27Å; L268-F283 HydrophobicContact CD2-CD1 4.15Å; L268-F283 HydrophobicContact CD2-CE1 3.73Å; L270-F283 HydrophobicContact CD1-CE1 3.77Å; L270-F283 HydrophobicContact CD1-CZ 3.64Å; I278-F283 HydrophobicContact CD1-CE2 4.34Å; I278-F283 HydrophobicContact CG2-CD2 3.92Å; I278-F283 HydrophobicContact CG2-CE2 3.48Å; I278-F283 VanDerWaalsContact CG2-CE2 3.48Å; I278-F283 HydrophobicContact CG2-CZ 4.47Å; G281-F283 VanDerWaalsContact C-N 3.31Å; G281-F283 PolarHBondContact O-N 3.42Å; F283-N285 PolarHBondContact O-N 2.84Å; F283-M286 HydrophobicContact CB-SD 4.18Å; F283-M286 HydrophobicContact CD1-SD 3.94Å; F283-M286 WeakPolarHBondContact O-CG 3.4Å; F283-M286 PolarHBondContact O-N 2.77Å; F283-L292 HydrophobicContact CD1-CD2 4.37Å; F283-L292 HydrophobicContact CD2-CD2 3.81Å; F283-L292 HydrophobicContact CE1-CD1 3.94Å; F283-L292 HydrophobicContact CE1-CD2 4.22Å; F283-L292 HydrophobicContact CE2-CD2 3.63Å; F283-L292 HydrophobicContact CG-CD2 4.18Å; F283-L292 HydrophobicContact CZ-CD1 3.95Å; F283-L292 HydrophobicContact CZ-CD2 3.86Å; F283-L308 HydrophobicContact CD2-CG 4.44Å; F283-L311 HydrophobicContact CB-CD1 4.31Å; F283-L311 WeakPolarHBondContact O-CD2 3.47Å
284	K	94.9	Very high	96	Very high	83 Å²	83	41.2 Å²	41.2	36%	0.361	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	133.4	-168.2	-177.5	177.7	-175.4	111.8	0	113.2	G281 M286 D309	G281-K284 VanDerWaalsContact O-CB 3.31Å; G281-K284 WeakPolarHBondContact O-CB 3.36Å; G281-K284 PolarHBondContact O-N 2.85Å; G281-K284 VanDerWaalsContact O-N 3.11Å; K284-M286 VanDerWaalsContact C-N 3.28Å; K284-M286 PolarHBondContact O-N 2.87Å; K284-D309 WeakPolarHBondContact CA-O 3.26Å; K284-D309 WeakPolarHBondContact CE-OD2 3.3Å; K284-D309 HydrophobicContact CG-CB 4.29Å; K284-D309 IonicContact NZ-OD2 2.64Å; K284-D309 PolarHBondContact NZ-OD2 2.85Å
285	N	95.7	Very high	96.1	Very high	88 Å²	88	39.8 Å²	39.8	47%	0.471	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	24.5	-179.6	-54.1	-39.3	0	0	0	115	F283 L287 D309 N310	F283-N285 PolarHBondContact O-N 2.84Å; N285-L287 HydrophobicContact CB-CD2 4.46Å; N285-L287 WeakPolarHBondContact O-CG 3.17Å; N285-L287 PolarHBondContact O-N 3.29Å; N285-D309 PolarHBondContact N-O 2.9Å; N285-D309 VanDerWaalsContact N-O 3.09Å; N285-N310 PolarHBondContact OD1-ND2 2.87Å
286	M	96.5	Very high	96.1	Very high	16 Å²	16	43.2 Å²	43.2	8%	0.079	21%	0.205	C	C	.	.			trans	-75.9	71.1	171.4	-62.7	-177.1	69.6	0	0	110.4	L259 L265 L268 F283 K284 R288 L289 L311	L259-M286 HydrophobicContact CB-CE 4.18Å; L259-M286 HydrophobicContact CB-SD 4.28Å; L259-M286 HydrophobicContact CD1-SD 4.41Å; L259-M286 HydrophobicContact CD2-CE 4.44Å; L265-M286 HydrophobicContact CB-CE 4.48Å; L265-M286 HydrophobicContact CD2-CE 3.77Å; L268-M286 HydrophobicContact CD2-CE 4.25Å; F283-M286 HydrophobicContact CB-SD 4.18Å; F283-M286 HydrophobicContact CD1-SD 3.94Å; F283-M286 WeakPolarHBondContact O-CG 3.4Å; F283-M286 PolarHBondContact O-N 2.77Å; K284-M286 VanDerWaalsContact C-N 3.28Å; K284-M286 PolarHBondContact O-N 2.87Å; M286-R288 PolarHBondContact O-N 3.06Å; M286-L289 HydrophobicContact CB-CB 3.98Å; M286-L289 HydrophobicContact CB-CD2 4.32Å; M286-L289 HydrophobicContact CE-CD1 4.49Å; M286-L289 HydrophobicContact CE-CD2 4.4Å; M286-L289 VanDerWaalsContact O-CB 3.31Å; M286-L289 WeakPolarHBondContact O-CB 3.2Å; M286-L289 PolarHBondContact O-N 3.09Å; M286-L289 HydrophobicContact SD-CD2 4.34Å; M286-L311 HydrophobicContact CB-CD2 3.72Å; M286-L311 WeakPolarHBondContact O-CD2 3.38Å
287	L	96.9	Very high	96.3	Very high	81 Å²	81	39.6 Å²	39.6	42%	0.424	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-25.3	-161.6	-58	-176	0	0	0	115.2	N285 P312	N285-L287 HydrophobicContact CB-CD2 4.46Å; N285-L287 WeakPolarHBondContact O-CG 3.17Å; N285-L287 PolarHBondContact O-N 3.29Å; L287-P312 HydrophobicContact CB-CG 4.39Å; L287-P312 HydrophobicContact CD2-CG 4.16Å
288	R	97.9	Very high	96.4	Very high	120 Å²	120	38.9 Å²	38.9	45%	0.453	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-6.8	-179	-62.2	-53.1	-164	174	2.8	114.4	L265 K266 M286 K290 E313	L265-R288 CarbonylContact O-C 3.54Å; K266-R288 WeakPolarHBondContact CA-O 3.31Å; M286-R288 PolarHBondContact O-N 3.06Å; R288-K290 VanDerWaalsContact O-CG 3.27Å; R288-K290 WeakPolarHBondContact O-CG 3.43Å; R288-K290 PolarHBondContact O-N 2.87Å; R288-E313 WeakPolarHBondContact CD-OE1 3.49Å; R288-E313 IonicContact CZ-OE1 2.75Å; R288-E313 IonicContact NE-OE1 3.43Å; R288-E313 IonicContact NH1-OE1 3.32Å; R288-E313 PolarHBondContact NH1-OE1 3.17Å
289	L	98.4	Very high	96.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.212	C	C	.	.			trans	-66.2	125.5	-174.7	-172.5	68.6	0	0	0	110	L265 L268 M286 L292 L311 E313 L314	L265-L289 VanDerWaalsContact O-CA 3.28Å; L265-L289 WeakPolarHBondContact O-CA 3.48Å; L265-L289 PolarHBondContact O-N 2.83Å; L265-L289 VanDerWaalsContact O-N 3.1Å; L268-L289 HydrophobicContact CB-CD1 3.75Å; M286-L289 HydrophobicContact CB-CB 3.98Å; M286-L289 HydrophobicContact CB-CD2 4.32Å; M286-L289 HydrophobicContact CE-CD1 4.49Å; M286-L289 HydrophobicContact CE-CD2 4.4Å; M286-L289 VanDerWaalsContact O-CB 3.31Å; M286-L289 WeakPolarHBondContact O-CB 3.2Å; M286-L289 PolarHBondContact O-N 3.09Å; M286-L289 HydrophobicContact SD-CD2 4.34Å; L289-L292 HydrophobicContact CD2-CB 4.42Å; L289-L311 HydrophobicContact CB-CD2 4.49Å; L289-L311 HydrophobicContact CD2-CD2 4.45Å; L289-E313 CarbonylContact O-C 3.52Å; L289-L314 HydrophobicContact CD2-CD1 4.18Å; L289-L314 HydrophobicContact CG-CD1 3.99Å; L289-L314 WeakPolarHBondContact O-CA 3.13Å; L289-L314 PolarHBondContact O-N 2.99Å
290	K	98.3	Very high	96.4	Very high	70 Å²	70	38.8 Å²	38.8	30%	0.304	19%	0.193	S	C	.	.			trans	-109.9	-39.1	-175.6	-52.8	-159.5	176.7	-133.9	0	112.5	K266 R288 E313 T315 K316	K266-K290 HydrophobicContact CB-CG 4.19Å; K266-K290 WeakPolarHBondContact O-CA 3.38Å; K266-K290 WeakPolarHBondContact O-CB 3.33Å; K266-K290 PolarHBondContact O-N 3.07Å; R288-K290 VanDerWaalsContact O-CG 3.27Å; R288-K290 WeakPolarHBondContact O-CG 3.43Å; R288-K290 PolarHBondContact O-N 2.87Å; K290-E313 WeakPolarHBondContact CA-O 3.16Å; K290-E313 WeakPolarHBondContact CE-OE2 3.16Å; K290-E313 HydrophobicContact CG-CB 4.38Å; K290-E313 IonicContact NZ-OE2 3.26Å; K290-E313 PolarHBondContact NZ-OE2 3.41Å; K290-T315 PolarHBondContact O-N 3.37Å; K290-T315 PolarHBondContact O-OG1 2.83Å; K290-K316 PolarHBondContact O-N 3.32Å
291	E	98.4	Very high	96.5	Very high	59 Å²	59	34.8 Å²	34.8	28%	0.276	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	131.3	-176.8	-174.2	166	-168.3	0	0	110.5	K266 F267 L268 K316	K266-E291 PolarHBondContact O-N 3.23Å; K266-E291 VanDerWaalsContact O-N 3.17Å; F267-E291 HydrophobicContact CD1-CB 3.87Å; F267-E291 HydrophobicContact CE1-CB 4.35Å; L268-E291 PolarHBondContact N-O 3.11Å; E291-K316 WeakPolarHBondContact CA-O 3.21Å; E291-K316 HydrophobicContact CG-CB 4.29Å; E291-K316 HydrophobicContact CG-CD 4.29Å; E291-K316 HydrophobicContact CG-CG 4.41Å; E291-K316 WeakPolarHBondContact OE1-CD 3.44Å; E291-K316 WeakPolarHBondContact OE1-CE 3.38Å; E291-K316 IonicContact OE1-NZ 2.65Å; E291-K316 PolarHBondContact OE1-NZ 2.93Å
292	L	98.4	Very high	96.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	115.9	177.7	176.3	59.5	0	0	0	109.5	L268 L270 F283 L289 I294 L308 L314 K316 L317 E318	L268-L292 HydrophobicContact CB-CD1 4.1Å; L268-L292 HydrophobicContact CD2-CD1 4.01Å; L268-L292 HydrophobicContact CG-CD1 4.02Å; L268-L292 WeakPolarHBondContact O-CA 3.41Å; L270-L292 HydrophobicContact CD1-CD1 4.41Å; F283-L292 HydrophobicContact CD1-CD2 4.37Å; F283-L292 HydrophobicContact CD2-CD2 3.81Å; F283-L292 HydrophobicContact CE1-CD1 3.94Å; F283-L292 HydrophobicContact CE1-CD2 4.22Å; F283-L292 HydrophobicContact CE2-CD2 3.63Å; F283-L292 HydrophobicContact CG-CD2 4.18Å; F283-L292 HydrophobicContact CZ-CD1 3.95Å; F283-L292 HydrophobicContact CZ-CD2 3.86Å; L289-L292 HydrophobicContact CD2-CB 4.42Å; L292-I294 HydrophobicContact CD1-CG2 4.16Å; L292-I294 HydrophobicContact CG-CG2 4.2Å; L292-L308 HydrophobicContact CD2-CD2 4.21Å; L292-L314 HydrophobicContact CB-CD1 4.17Å; L292-K316 PolarHBondContact N-O 2.79Å; L292-L317 HydrophobicContact CB-CD1 3.89Å; L292-L317 HydrophobicContact CD2-CD1 3.86Å; L292-L317 HydrophobicContact CG-CD1 3.87Å; L292-E318 PolarHBondContact O-N 2.72Å; L292-E318 VanDerWaalsContact O-N 3.12Å
293	G	97.9	Very high	96.7	Very high	6 Å²	6	34.7 Å²	34.7	6%	0.062	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	112.6	174	0	0	0	0	0	111.3	L268 L270 N271	L268-G293 PolarHBondContact O-N 3.12Å; L270-G293 PolarHBondContact N-O 2.89Å; N271-G293 PolarHBondContact N-O 2.88Å; N271-G293 PolarHBondContact OD1-O 3.38Å
294	I	97.9	Very high	96.6	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.015	18%	0.176	C	C	.	.			trans	-128.9	42.8	174.5	50.9	166.3	0	0	0	110.7	L270 N271 L292 M297 L317 E318 A319 N322	L270-I294 HydrophobicContact CB-CG2 4.26Å; L270-I294 HydrophobicContact CD1-CG2 4.34Å; N271-I294 PolarHBondContact OD1-N 3.38Å; L292-I294 HydrophobicContact CD1-CG2 4.16Å; L292-I294 HydrophobicContact CG-CG2 4.2Å; I294-M297 HydrophobicContact CB-CE 3.59Å; I294-M297 HydrophobicContact CG2-CE 3.82Å; I294-L317 HydrophobicContact CD1-CD1 3.92Å; I294-L317 HydrophobicContact CG1-CD1 3.9Å; I294-E318 CarbonylContact C-O 3.58Å; I294-E318 WeakPolarHBondContact CA-O 3.46Å; I294-E318 WeakPolarHBondContact CG1-O 3.47Å; I294-E318 PolarHBondContact N-O 3.45Å; I294-A319 HydrophobicContact CD1-CB 3.69Å; I294-A319 HydrophobicContact CG1-CB 3.61Å; I294-N322 PolarHBondContact O-ND2 3.44Å; I294-N322 PolarHBondContact O-OD1 2.91Å
295	N	98.2	Very high	96.5	Very high	7 Å²	7	34.1 Å²	34.1	4%	0.037	17%	0.17	C	C	.	.			trans	-88.9	162.1	179	-52.4	-76.6	0	0	0	113.2	N271 K272 M297 E318 T320	N271-N295 CarbonylContact C-O 3.59Å; N271-N295 VanDerWaalsContact CA-O 3.29Å; N271-N295 WeakPolarHBondContact CA-O 3.36Å; N271-N295 WeakPolarHBondContact OD1-CA 3.38Å; N271-N295 WeakPolarHBondContact OD1-CB 3.31Å; N271-N295 PolarHBondContact OD1-N 2.76Å; N271-N295 PolarHBondContact OD1-ND2 2.94Å; K272-N295 PolarHBondContact N-O 3.09Å; N295-M297 PolarHBondContact O-N 3.01Å; N295-M297 VanDerWaalsContact O-N 3.12Å; N295-E318 VanDerWaalsContact ND2-CB 3.33Å; N295-E318 WeakPolarHBondContact ND2-CB 3.35Å; N295-E318 PolarHBondContact ND2-OE2 3.02Å; N295-E318 WeakPolarHBondContact OD1-CB 3.48Å; N295-T320 CarbonylContact C-O 3.3Å; N295-T320 VanDerWaalsContact CA-O 3.23Å; N295-T320 WeakPolarHBondContact CA-O 3.42Å; N295-T320 WeakPolarHBondContact CB-O 3.29Å; N295-T320 WeakPolarHBondContact OD1-CB 3.43Å; N295-T320 PolarHBondContact OD1-N 3.45Å; N295-T320 PolarHBondContact OD1-OG1 3.39Å
296	N	98.1	Very high	96.4	Very high	72 Å²	72	32.5 Å²	32.5	39%	0.385	16%	0.157	S	C	.	.	S	Bend	trans	57.9	20.5	171.2	-59	-73.9	0	0	0	115.3	K272 G298 T320 N321 N322	K272-N296 HydrophobicContact CB-CB 4.35Å; N296-G298 PolarHBondContact O-N 2.67Å; N296-T320 PolarHBondContact N-O 3.4Å; N296-N321 WeakPolarHBondContact CA-O 3.12Å; N296-N321 PolarHBondContact OD1-ND2 3.1Å; N296-N322 PolarHBondContact N-OD1 3.32Å; N296-N322 VanDerWaalsContact N-OD1 3.09Å
297	M	97.1	Very high	96.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.154	C	C	.	.			trans	-84.6	95.6	178.1	-65.4	-151.5	-78.6	0	0	110.4	N273 I275 I294 N295 E299 L300 N322	N273-M297 HydrophobicContact CB-SD 3.97Å; N273-M297 WeakPolarHBondContact O-CA 3.47Å; N273-M297 WeakPolarHBondContact O-CB 3.49Å; N273-M297 WeakPolarHBondContact O-CG 3.25Å; N273-M297 VanDerWaalsContact O-SD 3.33Å; I275-M297 HydrophobicContact CB-CE 4.36Å; I275-M297 HydrophobicContact CB-SD 3.83Å; I275-M297 HydrophobicContact CD1-SD 4.03Å; I275-M297 HydrophobicContact CG1-SD 4Å; I294-M297 HydrophobicContact CB-CE 3.59Å; I294-M297 HydrophobicContact CG2-CE 3.82Å; N295-M297 PolarHBondContact O-N 3.01Å; N295-M297 VanDerWaalsContact O-N 3.12Å; M297-E299 PolarHBondContact O-N 2.84Å; M297-E299 VanDerWaalsContact O-N 3.07Å; M297-L300 HydrophobicContact CB-CB 3.81Å; M297-L300 HydrophobicContact CE-CB 4.44Å; M297-L300 HydrophobicContact CE-CD2 3.96Å; M297-L300 PolarHBondContact O-N 2.69Å; M297-L300 VanDerWaalsContact O-N 3.17Å; M297-N322 WeakPolarHBondContact CA-OD1 3.46Å; M297-N322 WeakPolarHBondContact CB-OD1 3.23Å; M297-N322 PolarHBondContact N-OD1 2.88Å
298	G	95.1	Very high	96.4	Very high	31 Å²	31	28 Å²	28	32%	0.32	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-18.1	-177.8	0	0	0	0	0	115.6	N296 K324	N296-G298 PolarHBondContact O-N 2.67Å; G298-K324 WeakPolarHBondContact O-CD 3.12Å; G298-K324 WeakPolarHBondContact O-CE 3.21Å; G298-K324 WeakPolarHBondContact O-CG 3.37Å
299	E	94.9	Very high	96.3	Very high	80 Å²	80	22.8 Å²	22.8	37%	0.374	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-3.9	-179.6	-63.7	-57.4	132.2	0	0	114.1	P274 I275 H276 M297 V301 K324	P274-E299 HydrophobicContact CB-CB 4.28Å; P274-E299 HydrophobicContact CB-CG 4.02Å; I275-E299 CarbonylContact O-C 3.59Å; H276-E299 WeakPolarHBondContact CA-O 3.27Å; M297-E299 PolarHBondContact O-N 2.84Å; M297-E299 VanDerWaalsContact O-N 3.07Å; E299-V301 PolarHBondContact O-N 3.14Å; E299-K324 IonicContact OE1-NZ 2.85Å; E299-K324 PolarHBondContact OE1-NZ 3.21Å; E299-K324 IonicContact OE2-NZ 3.06Å; E299-K324 PolarHBondContact OE2-NZ 2.85Å
300	L	96.1	Very high	96.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.129	C	C	.	.			trans	-70.9	114.7	-179.3	178.1	66.7	0	0	0	110.7	I275 I278 M297 K324 L325	I275-L300 WeakPolarHBondContact O-CA 3.41Å; I275-L300 WeakPolarHBondContact O-CB 3.41Å; I275-L300 PolarHBondContact O-N 2.96Å; I278-L300 HydrophobicContact CD1-CD1 4.37Å; I278-L300 HydrophobicContact CG1-CD1 4.16Å; M297-L300 HydrophobicContact CB-CB 3.81Å; M297-L300 HydrophobicContact CE-CB 4.44Å; M297-L300 HydrophobicContact CE-CD2 3.96Å; M297-L300 PolarHBondContact O-N 2.69Å; M297-L300 VanDerWaalsContact O-N 3.17Å; L300-K324 CarbonylContact O-C 3.14Å; L300-K324 WeakPolarHBondContact O-CB 3.36Å; L300-L325 HydrophobicContact CD2-CB 4.49Å; L300-L325 HydrophobicContact CD2-CD1 4.2Å; L300-L325 HydrophobicContact CD2-CD2 3.97Å; L300-L325 HydrophobicContact CD2-CG 4.44Å; L300-L325 HydrophobicContact CG-CB 4.47Å; L300-L325 HydrophobicContact CG-CD1 4.23Å; L300-L325 WeakPolarHBondContact O-CA 3.07Å; L300-L325 PolarHBondContact O-N 3.41Å
301	V	93.8	Very high	96.2	Very high	4 Å²	4	22.1 Å²	22.1	2%	0.024	12%	0.115	C	C	.	.			trans	-97.4	-43.9	179.8	-179.8	0	0	0	0	112.4	H276 E299 K324 L325 S326 Y327 D429	H276-V301 PolarHBondContact O-N 3.09Å; E299-V301 PolarHBondContact O-N 3.14Å; V301-K324 WeakPolarHBondContact CA-O 3.21Å; V301-K324 HydrophobicContact CG2-CB 4.2Å; V301-L325 WeakPolarHBondContact O-CA 3.38Å; V301-S326 PolarHBondContact O-N 2.99Å; V301-Y327 PolarHBondContact O-N 3.24Å; V301-D429 WeakPolarHBondContact CG1-O 3.41Å
302	S	94.3	Very high	96.1	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.014	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	156.1	-171.6	66.8	0	0	0	0	115.8	K277 I278 D304 Y327	K277-S302 VanDerWaalsContact CA-O 3.29Å; K277-S302 WeakPolarHBondContact CA-O 3.46Å; K277-S302 WeakPolarHBondContact CB-O 3.36Å; I278-S302 PolarHBondContact N-O 3.16Å; S302-D304 PolarHBondContact OG-OD1 2.96Å; S302-Y327 VanDerWaalsContact CA-O 3.3Å; S302-Y327 WeakPolarHBondContact CA-O 3.37Å
303	V	95.8	Very high	96.1	Very high	6 Å²	6	24.1 Å²	24.1	4%	0.036	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	110.2	163.4	-177.2	0	0	0	0	107.7	I278 A307 L308 L325 Y327 I328 H329 A332	I278-V303 HydrophobicContact CB-CG1 4.34Å; I278-V303 HydrophobicContact CB-CG2 4.4Å; I278-V303 HydrophobicContact CG1-CG2 4.25Å; V303-A307 HydrophobicContact CG1-CB 3.65Å; V303-L308 HydrophobicContact CG1-CD1 4.12Å; V303-L325 HydrophobicContact CG2-CD1 4.31Å; V303-Y327 PolarHBondContact N-O 3.09Å; V303-I328 HydrophobicContact CB-CG1 4.31Å; V303-I328 HydrophobicContact CB-CG2 4.41Å; V303-I328 HydrophobicContact CG2-CG1 4.38Å; V303-H329 PolarHBondContact O-N 3.25Å; V303-A332 HydrophobicContact CG1-CB 3.87Å
304	D	93.5	Very high	96.1	Very high	10 Å²	10	23.8 Å²	23.8	5%	0.053	13%	0.125	C	C	.	.			trans	-78.6	177.5	-176.7	-68.1	-19.8	0	0	0	111.8	K277 I278 S302 A307 A332 R448	K277-D304 IonicContact NZ-OD2 3.77Å; I278-D304 PolarHBondContact O-N 2.77Å; S302-D304 PolarHBondContact OG-OD1 2.96Å; D304-A307 WeakPolarHBondContact O-CB 3.3Å; D304-A332 WeakPolarHBondContact O-CA 3.32Å; D304-R448 IonicContact OD1-CZ 3.24Å; D304-R448 VanDerWaalsContact OD1-CZ 3.26Å; D304-R448 IonicContact OD1-NE 2.78Å; D304-R448 PolarHBondContact OD1-NE 2.84Å; D304-R448 IonicContact OD1-NH2 2.73Å; D304-R448 PolarHBondContact OD1-NH2 2.7Å; D304-R448 IonicContact OD2-CZ 2.68Å; D304-R448 IonicContact OD2-NH2 3.13Å; D304-R448 PolarHBondContact OD2-NH2 3.14Å
305	R	93.3	Very high	96.1	Very high	62 Å²	62	26.1 Å²	26.1	23%	0.234	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	148.2	176.8	71.9	169.8	-176.9	-125.2	-2.7	112.6	E280 A307 H329 S480 E481	E280-R305 WeakPolarHBondContact CA-O 3.44Å; E280-R305 WeakPolarHBondContact CB-O 3.44Å; E280-R305 IonicContact OE2-CZ 2.68Å; E280-R305 VanDerWaalsContact OE2-CZ 3.24Å; E280-R305 IonicContact OE2-NE 3.43Å; E280-R305 PolarHBondContact OE2-NE 3.35Å; E280-R305 IonicContact OE2-NH2 3.62Å; E280-R305 PolarHBondContact OE2-NH2 2.88Å; R305-A307 PolarHBondContact O-N 3.42Å; R305-H329 WeakPolarHBondContact CA-ND1 3.43Å; R305-H329 WeakPolarHBondContact CB-ND1 3.44Å; R305-S480 PolarHBondContact NH1-OG 2.87Å; R305-E481 WeakPolarHBondContact CB-OE2 3.48Å; R305-E481 VanDerWaalsContact CD-OE1 3.22Å; R305-E481 WeakPolarHBondContact CD-OE1 3.45Å; R305-E481 HydrophobicContact CG-CG 4.46Å; R305-E481 WeakPolarHBondContact CG-OE2 3.01Å; R305-E481 IonicContact CZ-OE1 3.61Å; R305-E481 PolarHBondContact N-OE2 2.87Å; R305-E481 IonicContact NE-OE1 3.56Å; R305-E481 IonicContact NH1-OE1 2.76Å; R305-E481 PolarHBondContact NH1-OE1 2.85Å
306	Y	94.4	Very high	96.2	Very high	54 Å²	54	28.6 Å²	28.6	21%	0.212	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	26.7	171.4	-48.6	-35.4	0	0	0	114.4	G281 L308 L331 R334	G281-Y306 PolarHBondContact N-O 2.76Å; Y306-L308 VanDerWaalsContact C-N 3.3Å; Y306-L331 HydrophobicContact CD1-CB 4.33Å; Y306-L331 VanDerWaalsContact CD1-O 3.27Å; Y306-L331 WeakPolarHBondContact CD1-O 3.45Å; Y306-L331 HydrophobicContact CE1-CB 3.84Å; Y306-L331 HydrophobicContact CE1-CD1 4.29Å; Y306-L331 PolarHBondContact N-O 2.85Å; Y306-R334 HydrophobicContact CD1-CB 3.82Å; Y306-R334 HydrophobicContact CD1-CG 4.3Å; Y306-R334 HydrophobicContact CE1-CB 4.3Å; Y306-R334 HydrophobicContact CE1-CG 4.44Å
307	A	95.6	Very high	96.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-63.9	-38.6	172.9	0	0	0	0	0	111	I278 Q279 V303 D304 R305 A332	I278-A307 HydrophobicContact CB-CB 4.32Å; I278-A307 HydrophobicContact CG2-CB 3.74Å; Q279-A307 WeakPolarHBondContact O-CA 3.33Å; V303-A307 HydrophobicContact CG1-CB 3.65Å; D304-A307 WeakPolarHBondContact O-CB 3.3Å; R305-A307 PolarHBondContact O-N 3.42Å; A307-A332 PolarHBondContact N-O 3.17Å
308	L	96.1	Very high	96.2	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.01	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	83.2	172.8	-67.2	97	0	0	0	108.7	F283 L292 V303 Y306 L311 L314 L317 A332 F333 R334 V336	F283-L308 HydrophobicContact CD2-CG 4.44Å; L292-L308 HydrophobicContact CD2-CD2 4.21Å; V303-L308 HydrophobicContact CG1-CD1 4.12Å; Y306-L308 VanDerWaalsContact C-N 3.3Å; L308-L311 HydrophobicContact CB-CD1 3.89Å; L308-L311 HydrophobicContact CD2-CD1 3.99Å; L308-L311 HydrophobicContact CG-CD1 4.17Å; L308-L314 HydrophobicContact CD2-CD2 3.81Å; L308-L317 HydrophobicContact CD2-CD1 4.49Å; L308-L317 HydrophobicContact CD2-CD2 3.99Å; L308-A332 PolarHBondContact N-O 2.77Å; L308-F333 HydrophobicContact CB-CD1 4.09Å; L308-F333 HydrophobicContact CD1-CD1 4.38Å; L308-F333 HydrophobicContact CD1-CE1 4.13Å; L308-F333 HydrophobicContact CD2-CD1 4.25Å; L308-F333 HydrophobicContact CD2-CE1 4.04Å; L308-F333 HydrophobicContact CG-CD1 4.48Å; L308-F333 HydrophobicContact CG-CE1 4.5Å; L308-R334 PolarHBondContact O-N 2.79Å; L308-V336 HydrophobicContact CB-CG2 4.27Å; L308-V336 WeakPolarHBondContact O-CG2 3.48Å
309	D	96	Very high	96.3	Very high	10 Å²	10	26.4 Å²	26.4	5%	0.053	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	125.6	-178.4	-176.2	31.8	0	0	0	112.3	K284 N285 R334	K284-D309 WeakPolarHBondContact CA-O 3.26Å; K284-D309 WeakPolarHBondContact CE-OD2 3.3Å; K284-D309 HydrophobicContact CG-CB 4.29Å; K284-D309 IonicContact NZ-OD2 2.64Å; K284-D309 PolarHBondContact NZ-OD2 2.85Å; N285-D309 PolarHBondContact N-O 2.9Å; N285-D309 VanDerWaalsContact N-O 3.09Å; D309-R334 CarbonylContact C-O 3.25Å; D309-R334 WeakPolarHBondContact CA-O 3.44Å; D309-R334 HydrophobicContact CB-CB 4.45Å; D309-R334 VanDerWaalsContact OD1-CD 3.23Å; D309-R334 WeakPolarHBondContact OD1-CD 3.38Å; D309-R334 VanDerWaalsContact OD1-CG 3.25Å; D309-R334 WeakPolarHBondContact OD1-CG 3.37Å; D309-R334 IonicContact OD1-NE 2.73Å
310	N	96.9	Very high	96.4	Very high	56 Å²	56	24 Å²	24	30%	0.299	12%	0.121	S	C	.	.	S	Bend	trans	59.7	65.1	179.3	-166.9	31.1	0	0	0	113.4	N285 P312 R334	N285-N310 PolarHBondContact OD1-ND2 2.87Å; N310-P312 VanDerWaalsContact C-CD 3.49Å; N310-P312 WeakPolarHBondContact O-CD 3.4Å; N310-R334 PolarHBondContact N-O 3.44Å
311	L	97.6	Very high	96.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.139	C	C	.	.			trans	-120.1	75.7	178.7	-65.3	179.9	0	0	0	110.3	F283 M286 L289 L308 E313 L314 S335 V336	F283-L311 HydrophobicContact CB-CD1 4.31Å; F283-L311 WeakPolarHBondContact O-CD2 3.47Å; M286-L311 HydrophobicContact CB-CD2 3.72Å; M286-L311 WeakPolarHBondContact O-CD2 3.38Å; L289-L311 HydrophobicContact CB-CD2 4.49Å; L289-L311 HydrophobicContact CD2-CD2 4.45Å; L308-L311 HydrophobicContact CB-CD1 3.89Å; L308-L311 HydrophobicContact CD2-CD1 3.99Å; L308-L311 HydrophobicContact CG-CD1 4.17Å; L311-E313 PolarHBondContact O-N 2.92Å; L311-L314 HydrophobicContact CB-CB 3.95Å; L311-L314 HydrophobicContact CD1-CD2 3.98Å; L311-S335 PolarHBondContact N-O 3.47Å; L311-V336 HydrophobicContact CB-CG1 4.25Å; L311-V336 HydrophobicContact CB-CG2 4.26Å
312	P	97.6	Very high	96.7	Very high	51 Å²	51	27.3 Å²	27.3	33%	0.331	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-21.6	-171.7	28.6	-36.5	0	0	0	115.3	L287 N310 A338	L287-P312 HydrophobicContact CB-CG 4.39Å; L287-P312 HydrophobicContact CD2-CG 4.16Å; N310-P312 VanDerWaalsContact C-CD 3.49Å; N310-P312 WeakPolarHBondContact O-CD 3.4Å; P312-A338 WeakPolarHBondContact O-CB 3.36Å
313	E	98.2	Very high	96.7	Very high	50 Å²	50	31.1 Å²	31.1	23%	0.234	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	0.7	178.4	-70.4	-167.5	-124.2	0	0	114.3	R288 L289 K290 L311 T315	R288-E313 WeakPolarHBondContact CD-OE1 3.49Å; R288-E313 IonicContact CZ-OE1 2.75Å; R288-E313 IonicContact NE-OE1 3.43Å; R288-E313 IonicContact NH1-OE1 3.32Å; R288-E313 PolarHBondContact NH1-OE1 3.17Å; L289-E313 CarbonylContact O-C 3.52Å; K290-E313 WeakPolarHBondContact CA-O 3.16Å; K290-E313 WeakPolarHBondContact CE-OE2 3.16Å; K290-E313 HydrophobicContact CG-CB 4.38Å; K290-E313 IonicContact NZ-OE2 3.26Å; K290-E313 PolarHBondContact NZ-OE2 3.41Å; L311-E313 PolarHBondContact O-N 2.92Å; E313-T315 PolarHBondContact O-N 3.39Å; E313-T315 VanDerWaalsContact O-N 3.15Å
314	L	98.4	Very high	96.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.174	C	C	.	.			trans	-72	108.9	-176.2	-171.9	81.9	0	0	0	110.4	L289 L292 L308 L311 V336 A338 L339	L289-L314 HydrophobicContact CD2-CD1 4.18Å; L289-L314 HydrophobicContact CG-CD1 3.99Å; L289-L314 WeakPolarHBondContact O-CA 3.13Å; L289-L314 PolarHBondContact O-N 2.99Å; L292-L314 HydrophobicContact CB-CD1 4.17Å; L308-L314 HydrophobicContact CD2-CD2 3.81Å; L311-L314 HydrophobicContact CB-CB 3.95Å; L311-L314 HydrophobicContact CD1-CD2 3.98Å; L314-V336 HydrophobicContact CB-CG1 4.11Å; L314-V336 HydrophobicContact CD2-CG1 3.84Å; L314-A338 CarbonylContact O-C 3.56Å; L314-L339 HydrophobicContact CD2-CD1 3.92Å; L314-L339 HydrophobicContact CG-CD1 4.01Å; L314-L339 WeakPolarHBondContact O-CA 3.1Å; L314-L339 PolarHBondContact O-N 3.27Å
315	T	98.2	Very high	96.8	Very high	52 Å²	52	33.3 Å²	33.3	32%	0.319	17%	0.171	S	C	.	.			trans	-98.9	-26.1	-179.6	54.9	0	0	0	0	113.2	K290 E313 A338 E340 S341	K290-T315 PolarHBondContact O-N 3.37Å; K290-T315 PolarHBondContact O-OG1 2.83Å; E313-T315 PolarHBondContact O-N 3.39Å; E313-T315 VanDerWaalsContact O-N 3.15Å; T315-A338 WeakPolarHBondContact CA-O 3.22Å; T315-A338 HydrophobicContact CG2-CB 4.5Å; T315-E340 PolarHBondContact O-N 3.16Å; T315-S341 PolarHBondContact O-N 3.15Å; T315-S341 VanDerWaalsContact O-N 3.1Å
316	K	98.3	Very high	96.9	Very high	58 Å²	58	30.4 Å²	30.4	25%	0.252	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	130.7	-174.2	-173.9	175.4	172.3	-138.6	0	112.4	K290 E291 L292 E318	K290-K316 PolarHBondContact O-N 3.32Å; E291-K316 WeakPolarHBondContact CA-O 3.21Å; E291-K316 HydrophobicContact CG-CB 4.29Å; E291-K316 HydrophobicContact CG-CD 4.29Å; E291-K316 HydrophobicContact CG-CG 4.41Å; E291-K316 WeakPolarHBondContact OE1-CD 3.44Å; E291-K316 WeakPolarHBondContact OE1-CE 3.38Å; E291-K316 IonicContact OE1-NZ 2.65Å; E291-K316 PolarHBondContact OE1-NZ 2.93Å; L292-K316 PolarHBondContact N-O 2.79Å; K316-E318 WeakPolarHBondContact CE-OE1 3.47Å; K316-E318 HydrophobicContact CG-CG 4.4Å; K316-E318 IonicContact NZ-OE1 2.65Å; K316-E318 PolarHBondContact NZ-OE1 2.65Å
317	L	98	Very high	96.8	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.021	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	124.2	170.1	177.3	62.1	0	0	0	109.9	L292 I294 L308 F333 L339 S341 L342 M343	L292-L317 HydrophobicContact CB-CD1 3.89Å; L292-L317 HydrophobicContact CD2-CD1 3.86Å; L292-L317 HydrophobicContact CG-CD1 3.87Å; I294-L317 HydrophobicContact CD1-CD1 3.92Å; I294-L317 HydrophobicContact CG1-CD1 3.9Å; L308-L317 HydrophobicContact CD2-CD1 4.49Å; L308-L317 HydrophobicContact CD2-CD2 3.99Å; L317-F333 HydrophobicContact CD2-CE1 3.56Å; L317-F333 HydrophobicContact CD2-CZ 3.83Å; L317-L339 HydrophobicContact CB-CD1 4.07Å; L317-S341 PolarHBondContact N-O 3.42Å; L317-L342 HydrophobicContact CB-CD1 4.11Å; L317-L342 HydrophobicContact CD2-CD1 3.83Å; L317-L342 HydrophobicContact CG-CD1 4.17Å; L317-M343 PolarHBondContact O-N 3.48Å
318	E	97.6	Very high	96.8	Very high	51 Å²	51	29 Å²	29	24%	0.238	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	114.4	173.5	-58.7	-171.3	156.2	0	0	110.9	L292 I294 N295 K316 M343	L292-E318 PolarHBondContact O-N 2.72Å; L292-E318 VanDerWaalsContact O-N 3.12Å; I294-E318 CarbonylContact C-O 3.58Å; I294-E318 WeakPolarHBondContact CA-O 3.46Å; I294-E318 WeakPolarHBondContact CG1-O 3.47Å; I294-E318 PolarHBondContact N-O 3.45Å; N295-E318 VanDerWaalsContact ND2-CB 3.33Å; N295-E318 WeakPolarHBondContact ND2-CB 3.35Å; N295-E318 PolarHBondContact ND2-OE2 3.02Å; N295-E318 WeakPolarHBondContact OD1-CB 3.48Å; K316-E318 WeakPolarHBondContact CE-OE1 3.47Å; K316-E318 HydrophobicContact CG-CG 4.4Å; K316-E318 IonicContact NZ-OE1 2.65Å; K316-E318 PolarHBondContact NZ-OE1 2.65Å; E318-M343 HydrophobicContact CG-CB 4.5Å
319	A	97.5	Very high	96.7	Very high	2 Å²	2	29.5 Å²	29.5	2%	0.017	16%	0.158	C	C	.	.			trans	-127.5	56.2	171	0	0	0	0	0	110	I294 N322 L325 M343 L344 N347	I294-A319 HydrophobicContact CD1-CB 3.69Å; I294-A319 HydrophobicContact CG1-CB 3.61Å; A319-N322 PolarHBondContact O-ND2 3.25Å; A319-N322 VanDerWaalsContact O-ND2 3.1Å; A319-L325 HydrophobicContact CB-CD2 4.06Å; A319-M343 CarbonylContact C-O 3.59Å; A319-M343 PolarHBondContact N-O 3.05Å; A319-L344 HydrophobicContact CB-CD2 3.77Å; A319-N347 PolarHBondContact O-ND2 2.94Å; A319-N347 PolarHBondContact O-OD1 3.25Å
320	T	97.8	Very high	96.6	Very high	30 Å²	30	31 Å²	31	18%	0.184	16%	0.163	C	C	.	.			trans	-94.4	155.2	-177.1	72.6	0	0	0	0	112.9	N295 N296 N322 M343 N345	N295-T320 CarbonylContact C-O 3.3Å; N295-T320 VanDerWaalsContact CA-O 3.23Å; N295-T320 WeakPolarHBondContact CA-O 3.42Å; N295-T320 WeakPolarHBondContact CB-O 3.29Å; N295-T320 WeakPolarHBondContact OD1-CB 3.43Å; N295-T320 PolarHBondContact OD1-N 3.45Å; N295-T320 PolarHBondContact OD1-OG1 3.39Å; N296-T320 PolarHBondContact N-O 3.4Å; T320-N322 VanDerWaalsContact C-N 3.28Å; T320-N322 PolarHBondContact O-N 3.11Å; T320-M343 HydrophobicContact CG2-CB 3.67Å; T320-N345 VanDerWaalsContact CA-O 3.31Å; T320-N345 WeakPolarHBondContact CA-O 3.18Å; T320-N345 WeakPolarHBondContact CG2-OD1 3.36Å
321	N	97.8	Very high	96.4	Very high	73 Å²	73	30.8 Å²	30.8	39%	0.39	16%	0.161	S	C	.	.	S	Bend	trans	58.7	36.5	173.8	-155.3	50.7	0	0	0	113.8	N296 P323 N345 N346 N347	N296-N321 WeakPolarHBondContact CA-O 3.12Å; N296-N321 PolarHBondContact OD1-ND2 3.1Å; N321-P323 VanDerWaalsContact O-CD 3.28Å; N321-P323 WeakPolarHBondContact O-CD 3.42Å; N321-N345 PolarHBondContact N-O 2.92Å; N321-N345 VanDerWaalsContact N-O 3.08Å; N321-N346 VanDerWaalsContact CA-O 3.25Å; N321-N346 WeakPolarHBondContact CA-O 3.49Å; N321-N346 HydrophobicContact CB-CB 4.28Å; N321-N347 PolarHBondContact N-OD1 3.41Å
322	N	97.8	Very high	96.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.161	C	C	.	.			trans	-101.3	91.8	175.6	-60.3	-47.6	0	0	0	108.8	I294 N296 M297 A319 T320 K324 L325 N346 N347	I294-N322 PolarHBondContact O-ND2 3.44Å; I294-N322 PolarHBondContact O-OD1 2.91Å; N296-N322 PolarHBondContact N-OD1 3.32Å; N296-N322 VanDerWaalsContact N-OD1 3.09Å; M297-N322 WeakPolarHBondContact CA-OD1 3.46Å; M297-N322 WeakPolarHBondContact CB-OD1 3.23Å; M297-N322 PolarHBondContact N-OD1 2.88Å; A319-N322 PolarHBondContact O-ND2 3.25Å; A319-N322 VanDerWaalsContact O-ND2 3.1Å; T320-N322 VanDerWaalsContact C-N 3.28Å; T320-N322 PolarHBondContact O-N 3.11Å; N322-K324 PolarHBondContact O-N 3.21Å; N322-L325 HydrophobicContact CB-CB 3.61Å; N322-L325 HydrophobicContact CB-CD2 4.17Å; N322-L325 WeakPolarHBondContact O-CB 3.23Å; N322-L325 PolarHBondContact O-N 3.48Å; N322-N346 PolarHBondContact N-O 2.91Å; N322-N347 WeakPolarHBondContact CA-OD1 3.18Å; N322-N347 VanDerWaalsContact CB-OD1 3.29Å; N322-N347 WeakPolarHBondContact CB-OD1 3.49Å; N322-N347 PolarHBondContact N-OD1 3.24Å; N322-N347 WeakPolarHBondContact O-CA 3.38Å; N322-N347 PolarHBondContact O-OD1 2.74Å
323	P	95.3	Very high	96.2	Very high	82 Å²	82	28.8 Å²	28.8	53%	0.532	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-8.8	-164.3	27.4	-37.7	0	0	0	115.7	N321	N321-P323 VanDerWaalsContact O-CD 3.28Å; N321-P323 WeakPolarHBondContact O-CD 3.42Å
324	K	95.1	Very high	96.1	Very high	62 Å²	62	32 Å²	32	27%	0.27	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-5.9	173.8	-58	-174.7	-165.4	175	0	113.6	G298 E299 L300 V301 N322 S326	G298-K324 WeakPolarHBondContact O-CD 3.12Å; G298-K324 WeakPolarHBondContact O-CE 3.21Å; G298-K324 WeakPolarHBondContact O-CG 3.37Å; E299-K324 IonicContact OE1-NZ 2.85Å; E299-K324 PolarHBondContact OE1-NZ 3.21Å; E299-K324 IonicContact OE2-NZ 3.06Å; E299-K324 PolarHBondContact OE2-NZ 2.85Å; L300-K324 CarbonylContact O-C 3.14Å; L300-K324 WeakPolarHBondContact O-CB 3.36Å; V301-K324 WeakPolarHBondContact CA-O 3.21Å; V301-K324 HydrophobicContact CG2-CB 4.2Å; N322-K324 PolarHBondContact O-N 3.21Å; K324-S326 VanDerWaalsContact O-CB 3.29Å; K324-S326 WeakPolarHBondContact O-CB 3.29Å; K324-S326 PolarHBondContact O-N 2.6Å; K324-S326 PolarHBondContact O-OG 2.91Å
325	L	96.1	Very high	95.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.181	C	C	.	.			trans	-70.5	98.4	-173.9	172.8	56.6	0	0	0	108.5	L300 V301 V303 A319 N322 I328 N347 A348 L349	L300-L325 HydrophobicContact CD2-CB 4.49Å; L300-L325 HydrophobicContact CD2-CD1 4.2Å; L300-L325 HydrophobicContact CD2-CD2 3.97Å; L300-L325 HydrophobicContact CD2-CG 4.44Å; L300-L325 HydrophobicContact CG-CB 4.47Å; L300-L325 HydrophobicContact CG-CD1 4.23Å; L300-L325 WeakPolarHBondContact O-CA 3.07Å; L300-L325 PolarHBondContact O-N 3.41Å; V301-L325 WeakPolarHBondContact O-CA 3.38Å; V303-L325 HydrophobicContact CG2-CD1 4.31Å; A319-L325 HydrophobicContact CB-CD2 4.06Å; N322-L325 HydrophobicContact CB-CB 3.61Å; N322-L325 HydrophobicContact CB-CD2 4.17Å; N322-L325 WeakPolarHBondContact O-CB 3.23Å; N322-L325 PolarHBondContact O-N 3.48Å; L325-I328 HydrophobicContact CD1-CG1 4.38Å; L325-N347 HydrophobicContact CB-CB 4.21Å; L325-N347 HydrophobicContact CG-CB 4.5Å; L325-A348 CarbonylContact O-C 3.59Å; L325-A348 VanDerWaalsContact O-C 3.23Å; L325-A348 WeakPolarHBondContact O-CA 3.5Å; L325-A348 PolarHBondContact O-N 2.93Å; L325-L349 HydrophobicContact CD1-CD2 4.5Å; L325-L349 HydrophobicContact CG-CD2 4.16Å; L325-L349 WeakPolarHBondContact O-CD2 3.32Å; L325-L349 PolarHBondContact O-N 2.89Å; L325-L349 VanDerWaalsContact O-N 3.14Å
326	S	93.9	Very high	95.9	Very high	2 Å²	2	33 Å²	33	1%	0.014	17%	0.166	C	C	.	.			trans	-126.8	0.8	-162.5	59.4	0	0	0	0	112.9	V301 K324 A348 S427	V301-S326 PolarHBondContact O-N 2.99Å; K324-S326 VanDerWaalsContact O-CB 3.29Å; K324-S326 WeakPolarHBondContact O-CB 3.29Å; K324-S326 PolarHBondContact O-N 2.6Å; K324-S326 PolarHBondContact O-OG 2.91Å; S326-A348 WeakPolarHBondContact CA-O 3.47Å; S326-A348 WeakPolarHBondContact CB-O 3.2Å; S326-S427 WeakPolarHBondContact CB-OG 3.47Å; S326-S427 PolarHBondContact O-OG 2.95Å; S326-S427 PolarHBondContact OG-OG 2.72Å
327	Y	94.1	Very high	95.8	Very high	14 Å²	14	32.8 Å²	32.8	6%	0.055	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	135	173.9	-173.1	-98.4	0	0	0	113	V301 S302 V303 H329 R448 A449 M450	V301-Y327 PolarHBondContact O-N 3.24Å; S302-Y327 VanDerWaalsContact CA-O 3.3Å; S302-Y327 WeakPolarHBondContact CA-O 3.37Å; V303-Y327 PolarHBondContact N-O 3.09Å; Y327-H329 HydrophobicContact CE1-CB 3.88Å; Y327-H329 PolarHBondContact OH-CD2 3.11Å; Y327-R448 HydrophobicContact CD1-CB 3.7Å; Y327-R448 HydrophobicContact CD1-CG 3.7Å; Y327-R448 HydrophobicContact CD2-CB 3.73Å; Y327-R448 HydrophobicContact CE1-CB 4.04Å; Y327-R448 HydrophobicContact CE1-CG 4.09Å; Y327-R448 HydrophobicContact CE2-CB 4.06Å; Y327-R448 HydrophobicContact CG-CB 3.51Å; Y327-R448 HydrophobicContact CG-CG 3.99Å; Y327-A449 WeakPolarHBondContact CE2-O 3.19Å; Y327-M450 HydrophobicContact CD2-CG 3.81Å; Y327-M450 HydrophobicContact CD2-SD 4.34Å; Y327-M450 HydrophobicContact CE2-CG 3.74Å
328	I	95.2	Very high	95.8	Very high	10 Å²	10	33.8 Å²	33.8	5%	0.051	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	122.5	167.4	-63.2	171.9	0	0	0	107.1	V303 L325 A332 F333 L344 L349	V303-I328 HydrophobicContact CB-CG1 4.31Å; V303-I328 HydrophobicContact CB-CG2 4.41Å; V303-I328 HydrophobicContact CG2-CG1 4.38Å; L325-I328 HydrophobicContact CD1-CG1 4.38Å; I328-A332 HydrophobicContact CG2-CB 3.86Å; I328-F333 HydrophobicContact CG2-CE2 4.28Å; I328-L344 HydrophobicContact CD1-CD1 3.83Å; I328-L344 HydrophobicContact CD1-CD2 3.98Å; I328-L349 HydrophobicContact CD1-CD1 3.99Å; I328-L349 HydrophobicContact CD1-CD2 4.01Å; I328-L349 HydrophobicContact CG1-CD2 3.95Å
329	H	94.2	Very high	95.8	Very high	13 Å²	13	31.3 Å²	31.3	6%	0.06	17%	0.168	C	C	.	.			trans	-64.1	144.1	-178.2	-174.6	-104.7	0	0	0	111.8	V303 R305 Y327 L331 A332 E481	V303-H329 PolarHBondContact O-N 3.25Å; R305-H329 WeakPolarHBondContact CA-ND1 3.43Å; R305-H329 WeakPolarHBondContact CB-ND1 3.44Å; Y327-H329 HydrophobicContact CE1-CB 3.88Å; Y327-H329 PolarHBondContact OH-CD2 3.11Å; H329-L331 PolarHBondContact ND1-N 3.06Å; H329-L331 PolarHBondContact O-N 2.91Å; H329-A332 HydrophobicContact CB-CB 4.37Å; H329-A332 VanDerWaalsContact O-CB 3.24Å; H329-A332 WeakPolarHBondContact O-CB 3.46Å; H329-A332 PolarHBondContact O-N 2.83Å; H329-E481 IonicContact CD2-OE2 2.66Å; H329-E481 IonicContact CG-OE2 3.42Å
330	R	92.8	Very high	95.8	Very high	41 Å²	41	34.5 Å²	34.5	16%	0.155	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-8.4	-177.8	73.8	-177.9	-174.5	148.4	-1.5	115.2	Y353 E454	R330-Y353 HydrophobicContact CB-CD1 4.32Å; R330-Y353 HydrophobicContact CB-CD2 3.58Å; R330-Y353 HydrophobicContact CB-CE2 4.07Å; R330-Y353 HydrophobicContact CB-CG 3.72Å; R330-E454 VanDerWaalsContact CZ-CD 3.47Å; R330-E454 IonicContact CZ-OE1 3.02Å; R330-E454 IonicContact CZ-OE2 2.67Å; R330-E454 IonicContact NE-OE1 2.72Å; R330-E454 PolarHBondContact NE-OE1 3.19Å; R330-E454 IonicContact NE-OE2 3.59Å; R330-E454 IonicContact NH2-OE1 2.66Å; R330-E454 PolarHBondContact NH2-OE1 3Å; R330-E454 IonicContact NH2-OE2 3.55Å; R330-E454 PolarHBondContact NH2-OE2 3.12Å
331	L	93.4	Very high	95.8	Very high	51 Å²	51	33.6 Å²	33.6	27%	0.267	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.4	27.6	172.4	-54.7	174.4	0	0	0	111.8	Y306 H329 F333	Y306-L331 HydrophobicContact CD1-CB 4.33Å; Y306-L331 VanDerWaalsContact CD1-O 3.27Å; Y306-L331 WeakPolarHBondContact CD1-O 3.45Å; Y306-L331 HydrophobicContact CE1-CB 3.84Å; Y306-L331 HydrophobicContact CE1-CD1 4.29Å; Y306-L331 PolarHBondContact N-O 2.85Å; H329-L331 PolarHBondContact ND1-N 3.06Å; H329-L331 PolarHBondContact O-N 2.91Å; L331-F333 VanDerWaalsContact C-N 3.25Å; L331-F333 PolarHBondContact O-N 2.76Å
332	A	95.8	Very high	95.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	-59.9	-37.8	176.2	0	0	0	0	0	112.2	V303 D304 A307 L308 I328 H329	V303-A332 HydrophobicContact CG1-CB 3.87Å; D304-A332 WeakPolarHBondContact O-CA 3.32Å; A307-A332 PolarHBondContact N-O 3.17Å; L308-A332 PolarHBondContact N-O 2.77Å; I328-A332 HydrophobicContact CG2-CB 3.86Å; H329-A332 HydrophobicContact CB-CB 4.37Å; H329-A332 VanDerWaalsContact O-CB 3.24Å; H329-A332 WeakPolarHBondContact O-CB 3.46Å; H329-A332 PolarHBondContact O-N 2.83Å
333	F	95.6	Very high	95.8	Very high	9 Å²	9	31.2 Å²	31.2	4%	0.039	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	126.2	174.9	-52.4	-86.3	0	0	0	110.2	L308 L317 I328 L331 V336 L339 L342 T356 L360	L308-F333 HydrophobicContact CB-CD1 4.09Å; L308-F333 HydrophobicContact CD1-CD1 4.38Å; L308-F333 HydrophobicContact CD1-CE1 4.13Å; L308-F333 HydrophobicContact CD2-CD1 4.25Å; L308-F333 HydrophobicContact CD2-CE1 4.04Å; L308-F333 HydrophobicContact CG-CD1 4.48Å; L308-F333 HydrophobicContact CG-CE1 4.5Å; L317-F333 HydrophobicContact CD2-CE1 3.56Å; L317-F333 HydrophobicContact CD2-CZ 3.83Å; I328-F333 HydrophobicContact CG2-CE2 4.28Å; L331-F333 VanDerWaalsContact C-N 3.25Å; L331-F333 PolarHBondContact O-N 2.76Å; F333-V336 HydrophobicContact CB-CG2 4.14Å; F333-V336 HydrophobicContact CD1-CG2 4.45Å; F333-L339 HydrophobicContact CE1-CD2 4.38Å; F333-L342 HydrophobicContact CZ-CD1 4.12Å; F333-L342 HydrophobicContact CZ-CD2 4.48Å; F333-T356 HydrophobicContact CD2-CG2 3.6Å; F333-T356 HydrophobicContact CE2-CG2 3.62Å; F333-L360 HydrophobicContact CB-CD2 3.95Å; F333-L360 HydrophobicContact CD1-CD2 4.21Å; F333-L360 HydrophobicContact CD2-CD1 4.4Å; F333-L360 HydrophobicContact CG-CD1 4.48Å; F333-L360 HydrophobicContact CG-CD2 4.05Å
334	R	94.7	Very high	95.9	Very high	118 Å²	118	27.5 Å²	27.5	45%	0.445	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	128.2	173.8	178.4	175.8	-179	173.3	1.8	109.5	Y306 L308 D309 N310 V336	Y306-R334 HydrophobicContact CD1-CB 3.82Å; Y306-R334 HydrophobicContact CD1-CG 4.3Å; Y306-R334 HydrophobicContact CE1-CB 4.3Å; Y306-R334 HydrophobicContact CE1-CG 4.44Å; L308-R334 PolarHBondContact O-N 2.79Å; D309-R334 CarbonylContact C-O 3.25Å; D309-R334 WeakPolarHBondContact CA-O 3.44Å; D309-R334 HydrophobicContact CB-CB 4.45Å; D309-R334 VanDerWaalsContact OD1-CD 3.23Å; D309-R334 WeakPolarHBondContact OD1-CD 3.38Å; D309-R334 VanDerWaalsContact OD1-CG 3.25Å; D309-R334 WeakPolarHBondContact OD1-CG 3.37Å; D309-R334 IonicContact OD1-NE 2.73Å; N310-R334 PolarHBondContact N-O 3.44Å; R334-V336 VanDerWaalsContact C-N 3.31Å; R334-V336 WeakPolarHBondContact O-CG2 3.47Å; R334-V336 PolarHBondContact O-N 3.37Å
335	S	95.6	Very high	96	Very high	71 Å²	71	25.7 Å²	25.7	50%	0.497	13%	0.134	S	C	.	.	S	Bend	trans	53.2	48.7	-177.8	-55.2	0	0	0	0	112.3	L311 P337	L311-S335 PolarHBondContact N-O 3.47Å; S335-P337 WeakPolarHBondContact O-CD 3.5Å
336	V	97.1	Very high	96	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.006	15%	0.15	C	C	.	.			trans	-114.2	62	175.3	-164.9	0	0	0	0	109.6	L308 L311 L314 F333 R334 A338 L339 L360	L308-V336 HydrophobicContact CB-CG2 4.27Å; L308-V336 WeakPolarHBondContact O-CG2 3.48Å; L311-V336 HydrophobicContact CB-CG1 4.25Å; L311-V336 HydrophobicContact CB-CG2 4.26Å; L314-V336 HydrophobicContact CB-CG1 4.11Å; L314-V336 HydrophobicContact CD2-CG1 3.84Å; F333-V336 HydrophobicContact CB-CG2 4.14Å; F333-V336 HydrophobicContact CD1-CG2 4.45Å; R334-V336 VanDerWaalsContact C-N 3.31Å; R334-V336 WeakPolarHBondContact O-CG2 3.47Å; R334-V336 PolarHBondContact O-N 3.37Å; V336-A338 VanDerWaalsContact C-N 3.32Å; V336-A338 PolarHBondContact O-N 2.97Å; V336-L339 HydrophobicContact CG1-CB 4.14Å; V336-L360 HydrophobicContact CB-CD2 4.17Å
337	P	96.5	Very high	96.2	Very high	55 Å²	55	29 Å²	29	36%	0.357	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-24.3	-168.1	29.9	-38.4	0	0	0	114.3	S335 P361 N362	S335-P337 WeakPolarHBondContact O-CD 3.5Å; P337-P361 HydrophobicContact CB-CG 4.47Å; P337-N362 WeakPolarHBondContact O-CB 3.4Å; P337-N362 PolarHBondContact O-ND2 2.65Å
338	A	97.7	Very high	96.3	Very high	24 Å²	24	29 Å²	29	20%	0.198	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-1	-170.2	0	0	0	0	0	114.7	P312 L314 T315 V336 E340	P312-A338 WeakPolarHBondContact O-CB 3.36Å; L314-A338 CarbonylContact O-C 3.56Å; T315-A338 WeakPolarHBondContact CA-O 3.22Å; T315-A338 HydrophobicContact CG2-CB 4.5Å; V336-A338 VanDerWaalsContact C-N 3.32Å; V336-A338 PolarHBondContact O-N 2.97Å; A338-E340 WeakPolarHBondContact O-CG 3.25Å; A338-E340 PolarHBondContact O-N 3.04Å; A338-E340 VanDerWaalsContact O-N 3.11Å
339	L	97.9	Very high	96.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.			trans	-67.1	114.1	-173.3	-164.7	74.8	0	0	0	110.5	L314 L317 F333 V336 L342 L360 N362 L363	L314-L339 HydrophobicContact CD2-CD1 3.92Å; L314-L339 HydrophobicContact CG-CD1 4.01Å; L314-L339 WeakPolarHBondContact O-CA 3.1Å; L314-L339 PolarHBondContact O-N 3.27Å; L317-L339 HydrophobicContact CB-CD1 4.07Å; F333-L339 HydrophobicContact CE1-CD2 4.38Å; V336-L339 HydrophobicContact CG1-CB 4.14Å; L339-L342 HydrophobicContact CD2-CB 4.24Å; L339-L342 HydrophobicContact CD2-CD1 4.39Å; L339-L360 HydrophobicContact CB-CD2 4.13Å; L339-L360 HydrophobicContact CD2-CD1 3.96Å; L339-L360 HydrophobicContact CD2-CD2 3.87Å; L339-L360 HydrophobicContact CD2-CG 4.49Å; L339-N362 CarbonylContact O-C 3.41Å; L339-L363 HydrophobicContact CD2-CD1 4.33Å; L339-L363 HydrophobicContact CG-CD1 4.35Å; L339-L363 WeakPolarHBondContact O-CA 3.45Å; L339-L363 PolarHBondContact O-N 2.9Å
340	E	97	Very high	96.2	Very high	68 Å²	68	28.8 Å²	28.8	32%	0.318	15%	0.154	S	C	.	.			trans	-98.6	-31	-179.8	-50.1	-164.9	151.3	0	0	111.7	T315 A338 R364 E365	T315-E340 PolarHBondContact O-N 3.16Å; A338-E340 WeakPolarHBondContact O-CG 3.25Å; A338-E340 PolarHBondContact O-N 3.04Å; A338-E340 VanDerWaalsContact O-N 3.11Å; E340-R364 HydrophobicContact CB-CG 4.5Å; E340-R364 PolarHBondContact O-N 3.5Å; E340-R364 IonicContact OE1-CZ 3.07Å; E340-R364 IonicContact OE1-NH1 2.77Å; E340-R364 PolarHBondContact OE1-NH1 2.87Å; E340-R364 IonicContact OE1-NH2 3.2Å; E340-R364 PolarHBondContact OE1-NH2 3.2Å; E340-R364 IonicContact OE2-CZ 3.68Å; E340-R364 IonicContact OE2-NH1 3.23Å; E340-R364 PolarHBondContact OE2-NH1 2.64Å; E340-R364 IonicContact OE2-NH2 3.21Å; E340-E365 PolarHBondContact O-N 3.41Å
341	S	97.7	Very high	96.2	Very high	12 Å²	12	27.1 Å²	27.1	8%	0.084	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	125.1	-172.4	-174.1	0	0	0	0	112	T315 L317 M343 E365	T315-S341 PolarHBondContact O-N 3.15Å; T315-S341 VanDerWaalsContact O-N 3.1Å; L317-S341 PolarHBondContact N-O 3.42Å; S341-M343 VanDerWaalsContact OG-CE 3.25Å; S341-M343 WeakPolarHBondContact OG-CE 3.43Å; S341-E365 WeakPolarHBondContact CB-OE1 3.33Å; S341-E365 PolarHBondContact OG-OE1 2.65Å
342	L	97.7	Very high	96.2	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	103.4	-178.6	177.5	58	0	0	0	111.1	L317 F333 L339 L344 L360 L363 E365 I366 S367	L317-L342 HydrophobicContact CB-CD1 4.11Å; L317-L342 HydrophobicContact CD2-CD1 3.83Å; L317-L342 HydrophobicContact CG-CD1 4.17Å; F333-L342 HydrophobicContact CZ-CD1 4.12Å; F333-L342 HydrophobicContact CZ-CD2 4.48Å; L339-L342 HydrophobicContact CD2-CB 4.24Å; L339-L342 HydrophobicContact CD2-CD1 4.39Å; L342-L344 HydrophobicContact CD1-CD1 3.91Å; L342-L344 HydrophobicContact CD1-CD2 4Å; L342-L344 HydrophobicContact CD1-CG 3.87Å; L342-L344 HydrophobicContact CD2-CD1 3.97Å; L342-L344 HydrophobicContact CG-CD1 3.78Å; L342-L344 HydrophobicContact CG-CG 3.95Å; L342-L360 HydrophobicContact CD2-CD1 4.04Å; L342-L363 HydrophobicContact CB-CD1 3.75Å; L342-L363 HydrophobicContact CD2-CD2 4.48Å; L342-E365 PolarHBondContact N-O 2.95Å; L342-E365 VanDerWaalsContact N-O 3.11Å; L342-I366 HydrophobicContact CB-CG1 4.26Å; L342-I366 HydrophobicContact CD2-CD1 4.12Å; L342-I366 HydrophobicContact CD2-CG1 4.31Å; L342-I366 HydrophobicContact CG-CG1 4.27Å; L342-I366 WeakPolarHBondContact O-CA 3.47Å; L342-S367 PolarHBondContact O-N 2.55Å
343	M	97.9	Very high	96	Very high	21 Å²	21	25.4 Å²	25.4	10%	0.103	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	110.1	-174.3	-60.7	-64	126.7	0	0	111.2	L317 E318 A319 T320 S341 E365 S367 M392	L317-M343 PolarHBondContact O-N 3.48Å; E318-M343 HydrophobicContact CG-CB 4.5Å; A319-M343 CarbonylContact C-O 3.59Å; A319-M343 PolarHBondContact N-O 3.05Å; T320-M343 HydrophobicContact CG2-CB 3.67Å; S341-M343 VanDerWaalsContact OG-CE 3.25Å; S341-M343 WeakPolarHBondContact OG-CE 3.43Å; M343-E365 HydrophobicContact CE-CB 4.38Å; M343-E365 HydrophobicContact CE-CG 3.85Å; M343-S367 WeakPolarHBondContact SD-CB 3.21Å; M343-M392 HydrophobicContact CE-CG 4.08Å; M343-M392 HydrophobicContact SD-CG 4.43Å
344	L	97.6	Very high	95.8	Very high	4 Å²	4	29 Å²	29	2%	0.021	16%	0.156	C	C	.	.			trans	-132.1	24.8	-172.4	-57.9	175	0	0	0	112.7	A319 I328 L342 N347 L349 I352 S367 N371	A319-L344 HydrophobicContact CB-CD2 3.77Å; I328-L344 HydrophobicContact CD1-CD1 3.83Å; I328-L344 HydrophobicContact CD1-CD2 3.98Å; L342-L344 HydrophobicContact CD1-CD1 3.91Å; L342-L344 HydrophobicContact CD1-CD2 4Å; L342-L344 HydrophobicContact CD1-CG 3.87Å; L342-L344 HydrophobicContact CD2-CD1 3.97Å; L342-L344 HydrophobicContact CG-CD1 3.78Å; L342-L344 HydrophobicContact CG-CG 3.95Å; L344-N347 PolarHBondContact O-ND2 3.16Å; L344-L349 HydrophobicContact CB-CD1 4.04Å; L344-I352 HydrophobicContact CD1-CD1 3.41Å; L344-I352 VanDerWaalsContact CD1-CD1 3.41Å; L344-S367 CarbonylContact C-O 3.57Å; L344-S367 VanDerWaalsContact C-O 3.25Å; L344-S367 VanDerWaalsContact CA-O 3.25Å; L344-S367 WeakPolarHBondContact CA-O 3.47Å; L344-S367 WeakPolarHBondContact CB-O 3.33Å; L344-S367 PolarHBondContact N-O 2.66Å; L344-N371 PolarHBondContact O-ND2 3.25Å
345	N	97.1	Very high	95.5	Very high	24 Å²	24	27.8 Å²	27.8	13%	0.128	15%	0.154	C	C	.	.			trans	-80.9	161.2	177.3	59.5	-82.6	0	0	0	113.6	T320 N321 S367 H369	T320-N345 VanDerWaalsContact CA-O 3.31Å; T320-N345 WeakPolarHBondContact CA-O 3.18Å; T320-N345 WeakPolarHBondContact CG2-OD1 3.36Å; N321-N345 PolarHBondContact N-O 2.92Å; N321-N345 VanDerWaalsContact N-O 3.08Å; N345-S367 WeakPolarHBondContact CB-OG 3.15Å; N345-S367 PolarHBondContact N-O 2.98Å; N345-S367 WeakPolarHBondContact OD1-CB 3.39Å; N345-S367 PolarHBondContact OD1-OG 2.73Å; N345-H369 VanDerWaalsContact CA-O 3.23Å; N345-H369 WeakPolarHBondContact CA-O 3.12Å; N345-H369 WeakPolarHBondContact CB-NE2 3.5Å; N345-H369 VanDerWaalsContact CB-O 3.26Å; N345-H369 WeakPolarHBondContact CB-O 3.36Å
346	N	97.1	Very high	95.4	Very high	63 Å²	63	24.5 Å²	24.5	34%	0.337	13%	0.131	S	C	.	.	S	Bend	trans	61.1	39.3	-179.5	-59.6	33.3	0	0	0	113.1	N321 N322 H369 S370	N321-N346 VanDerWaalsContact CA-O 3.25Å; N321-N346 WeakPolarHBondContact CA-O 3.49Å; N321-N346 HydrophobicContact CB-CB 4.28Å; N322-N346 PolarHBondContact N-O 2.91Å; N346-H369 PolarHBondContact N-O 2.86Å; N346-H369 VanDerWaalsContact N-O 3.16Å; N346-S370 WeakPolarHBondContact CA-O 3.34Å; N346-S370 VanDerWaalsContact OD1-CB 3.23Å; N346-S370 WeakPolarHBondContact OD1-CB 3.48Å; N346-S370 PolarHBondContact OD1-OG 3.36Å
347	N	97.5	Very high	95.1	Very high	10 Å²	10	24.9 Å²	24.9	5%	0.053	13%	0.133	C	C	.	.	S	Bend	trans	-117.9	-170.9	178.9	-60	-40.5	0	0	0	111.1	A319 N321 N322 L325 L344 L349 N371 P372	A319-N347 PolarHBondContact O-ND2 2.94Å; A319-N347 PolarHBondContact O-OD1 3.25Å; N321-N347 PolarHBondContact N-OD1 3.41Å; N322-N347 WeakPolarHBondContact CA-OD1 3.18Å; N322-N347 VanDerWaalsContact CB-OD1 3.29Å; N322-N347 WeakPolarHBondContact CB-OD1 3.49Å; N322-N347 PolarHBondContact N-OD1 3.24Å; N322-N347 WeakPolarHBondContact O-CA 3.38Å; N322-N347 PolarHBondContact O-OD1 2.74Å; L325-N347 HydrophobicContact CB-CB 4.21Å; L325-N347 HydrophobicContact CG-CB 4.5Å; L344-N347 PolarHBondContact O-ND2 3.16Å; N347-L349 HydrophobicContact CB-CG 4.16Å; N347-N371 WeakPolarHBondContact CA-OD1 3.48Å; N347-N371 VanDerWaalsContact CB-OD1 3.25Å; N347-N371 WeakPolarHBondContact CB-OD1 3.47Å; N347-N371 PolarHBondContact N-OD1 3.09Å; N347-N371 PolarHBondContact O-OD1 2.83Å; N347-N371 VanDerWaalsContact O-OD1 3.1Å; N347-P372 WeakPolarHBondContact O-CD 3.47Å
348	A	95.6	Very high	94.8	Very high	14 Å²	14	28.3 Å²	28.3	12%	0.116	14%	0.144	C	C	.	.			trans	-103.8	19.9	177.3	0	0	0	0	0	113.1	L325 S326 N350 P372	L325-A348 CarbonylContact O-C 3.59Å; L325-A348 VanDerWaalsContact O-C 3.23Å; L325-A348 WeakPolarHBondContact O-CA 3.5Å; L325-A348 PolarHBondContact O-N 2.93Å; S326-A348 WeakPolarHBondContact CA-O 3.47Å; S326-A348 WeakPolarHBondContact CB-O 3.2Å; A348-N350 PolarHBondContact O-N 2.79Å; A348-P372 WeakPolarHBondContact O-CG 3.43Å
349	L	94.9	Very high	94.4	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.016	15%	0.15	C	C	.	.			trans	-68	131.3	-174.7	-60.4	172.3	0	0	0	111.3	L325 I328 L344 N347 I352 N371 P372	L325-L349 HydrophobicContact CD1-CD2 4.5Å; L325-L349 HydrophobicContact CG-CD2 4.16Å; L325-L349 WeakPolarHBondContact O-CD2 3.32Å; L325-L349 PolarHBondContact O-N 2.89Å; L325-L349 VanDerWaalsContact O-N 3.14Å; I328-L349 HydrophobicContact CD1-CD1 3.99Å; I328-L349 HydrophobicContact CD1-CD2 4.01Å; I328-L349 HydrophobicContact CG1-CD2 3.95Å; L344-L349 HydrophobicContact CB-CD1 4.04Å; N347-L349 HydrophobicContact CB-CG 4.16Å; L349-I352 HydrophobicContact CD1-CD1 4.47Å; L349-N371 VanDerWaalsContact CB-OD1 3.31Å; L349-N371 WeakPolarHBondContact CB-OD1 3.31Å; L349-N371 PolarHBondContact N-OD1 3.09Å; L349-P372 WeakPolarHBondContact O-CD 3.46Å
350	N	92.5	Very high	94.3	Very high	15 Å²	15	29.6 Å²	29.6	8%	0.08	15%	0.151	C	C	.	.			trans	-85.1	-32.6	173.1	-60.8	127.1	0	0	0	112.7	A348 P372 L373 R374	A348-N350 PolarHBondContact O-N 2.79Å; N350-P372 PolarHBondContact ND2-O 2.67Å; N350-L373 CarbonylContact O-C 3.57Å; N350-L373 VanDerWaalsContact O-CA 3.31Å; N350-L373 WeakPolarHBondContact O-CA 3.19Å; N350-R374 HydrophobicContact CB-CB 4.33Å; N350-R374 PolarHBondContact O-N 3.5Å
351	A	92.5	Very high	94.1	Very high	5 Å²	5	31 Å²	31	4%	0.041	17%	0.166	C	C	.	.			trans	-158.6	175.2	174	0	0	0	0	0	110.8	V378 I379 M450	A351-V378 HydrophobicContact CB-CB 4.1Å; A351-V378 HydrophobicContact CB-CG1 3.82Å; A351-I379 HydrophobicContact CB-CB 4.21Å; A351-M450 HydrophobicContact CB-CE 3.92Å; A351-M450 HydrophobicContact CB-SD 4.3Å
352	I	93.4	Very high	94	Very high	10 Å²	10	34.4 Å²	34.4	5%	0.051	18%	0.184	C	C	.	.			trans	-128.3	129.9	162	-59.8	-175.3	0	0	0	107.3	L344 L349 T356 V357 I366 I368 W381	L344-I352 HydrophobicContact CD1-CD1 3.41Å; L344-I352 VanDerWaalsContact CD1-CD1 3.41Å; L349-I352 HydrophobicContact CD1-CD1 4.47Å; I352-T356 HydrophobicContact CG2-CG2 4.16Å; I352-V357 HydrophobicContact CG2-CG2 4.31Å; I352-I366 HydrophobicContact CD1-CD1 4.29Å; I352-I368 HydrophobicContact CD1-CG2 3.61Å; I352-W381 PolarHBondContact O-NE1 2.91Å
353	Y	92.9	Very high	93.9	Very high	6 Å²	6	35.1 Å²	35.1	2%	0.024	19%	0.187	C	C	.	.			trans	-63.6	138.5	176.7	-72.8	-86.3	0	0	0	111.6	R330 K355 T356 V378 M450 A451	R330-Y353 HydrophobicContact CB-CD1 4.32Å; R330-Y353 HydrophobicContact CB-CD2 3.58Å; R330-Y353 HydrophobicContact CB-CE2 4.07Å; R330-Y353 HydrophobicContact CB-CG 3.72Å; Y353-K355 PolarHBondContact O-N 2.69Å; Y353-T356 VanDerWaalsContact O-CB 3.27Å; Y353-T356 WeakPolarHBondContact O-CB 3.37Å; Y353-T356 PolarHBondContact O-N 3.04Å; Y353-T356 PolarHBondContact O-OG1 3.07Å; Y353-V378 HydrophobicContact CD1-CG1 3.72Å; Y353-V378 HydrophobicContact CE1-CG1 3.94Å; Y353-V378 HydrophobicContact CG-CG1 4.05Å; Y353-M450 HydrophobicContact CD2-CE 3.7Å; Y353-M450 HydrophobicContact CE2-CE 3.49Å; Y353-M450 VanDerWaalsContact CE2-CE 3.49Å; Y353-M450 HydrophobicContact CE2-CG 4.46Å; Y353-M450 WeakPolarHBondContact OH-CA 3.34Å; Y353-A451 WeakPolarHBondContact CE1-O 3.39Å; Y353-A451 PolarHBondContact OH-N 3.01Å; Y353-A451 PolarHBondContact OH-O 3.24Å
354	Q	90.2	Very high	93.7	Very high	85 Å²	85	40.8 Å²	40.8	40%	0.397	21%	0.208	S	C	.	.	H	α-helix	trans	-49.7	-43	170.9	-173.9	179.4	-42.1	0	0	111.5	T356 V357 E358 W381	Q354-T356 VanDerWaalsContact C-N 3.28Å; Q354-T356 PolarHBondContact O-N 2.87Å; Q354-V357 WeakPolarHBondContact O-CA 3.49Å; Q354-V357 WeakPolarHBondContact O-CB 3.24Å; Q354-V357 PolarHBondContact O-N 2.82Å; Q354-E358 HydrophobicContact CG-CG 4.19Å; Q354-E358 PolarHBondContact NE2-OE1 2.83Å; Q354-E358 WeakPolarHBondContact O-CG 3.4Å; Q354-E358 PolarHBondContact O-N 2.76Å; Q354-W381 HydrophobicContact CB-CB 3.9Å; Q354-W381 HydrophobicContact CB-CD2 4.43Å; Q354-W381 HydrophobicContact CB-CG 3.71Å; Q354-W381 HydrophobicContact CG-CB 3.8Å; Q354-W381 HydrophobicContact CG-CG 3.97Å; Q354-W381 VanDerWaalsContact OE1-CB 3.3Å
355	K	89.6	Confident	93.6	Very high	91 Å²	91	43.3 Å²	43.3	40%	0.396	22%	0.219	S	C	.	.	H	α-helix	trans	-60.3	-30.9	179.3	-168.3	172.6	-174.2	177.3	0	114.3	Y353 V357 S359	Y353-K355 PolarHBondContact O-N 2.69Å; K355-V357 VanDerWaalsContact C-N 3.27Å; K355-V357 PolarHBondContact O-N 3.32Å; K355-S359 PolarHBondContact O-N 3.41Å
356	T	92.2	Very high	93.5	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.018	21%	0.213	C	C	.	.	H	α-helix	trans	-62.3	-39.9	173.8	-53.9	0	0	0	0	110.3	F333 I352 Y353 Q354 S359 L360	F333-T356 HydrophobicContact CD2-CG2 3.6Å; F333-T356 HydrophobicContact CE2-CG2 3.62Å; I352-T356 HydrophobicContact CG2-CG2 4.16Å; Y353-T356 VanDerWaalsContact O-CB 3.27Å; Y353-T356 WeakPolarHBondContact O-CB 3.37Å; Y353-T356 PolarHBondContact O-N 3.04Å; Y353-T356 PolarHBondContact O-OG1 3.07Å; Q354-T356 VanDerWaalsContact C-N 3.28Å; Q354-T356 PolarHBondContact O-N 2.87Å; T356-S359 PolarHBondContact O-OG 3.32Å; T356-L360 WeakPolarHBondContact O-CD1 3.45Å
357	V	91.1	Very high	93.5	Very high	9 Å²	9	39.3 Å²	39.3	6%	0.055	20%	0.198	C	C	.	.	H	α-helix	trans	-80.2	-38.3	-179.3	175.9	0	0	0	0	111.7	I352 Q354 K355 S359 L360 L363 I366 W381 I389	I352-V357 HydrophobicContact CG2-CG2 4.31Å; Q354-V357 WeakPolarHBondContact O-CA 3.49Å; Q354-V357 WeakPolarHBondContact O-CB 3.24Å; Q354-V357 PolarHBondContact O-N 2.82Å; K355-V357 VanDerWaalsContact C-N 3.27Å; K355-V357 PolarHBondContact O-N 3.32Å; V357-S359 PolarHBondContact O-N 2.89Å; V357-L360 PolarHBondContact O-N 3.19Å; V357-L363 HydrophobicContact CG1-CD2 4.22Å; V357-I366 HydrophobicContact CG2-CD1 4.31Å; V357-W381 HydrophobicContact CB-CH2 4.4Å; V357-W381 HydrophobicContact CG1-CH2 4.38Å; V357-W381 HydrophobicContact CG1-CZ3 4.36Å; V357-W381 HydrophobicContact CG2-CH2 3.73Å; V357-W381 HydrophobicContact CG2-CZ2 3.84Å; V357-W381 HydrophobicContact CG2-CZ3 4.44Å; V357-I389 HydrophobicContact CG1-CD1 3.24Å
358	E	89.8	Confident	93.4	Very high	126 Å²	126	39 Å²	39	59%	0.589	20%	0.197	S	C	*	.	H	α-helix	trans	-61.9	-23	173.8	-69.2	174.7	155	0	0	113.4	Q354 L360	Q354-E358 HydrophobicContact CG-CG 4.19Å; Q354-E358 PolarHBondContact NE2-OE1 2.83Å; Q354-E358 WeakPolarHBondContact O-CG 3.4Å; Q354-E358 PolarHBondContact O-N 2.76Å; E358-L360 PolarHBondContact O-N 3.23Å
359	S	91.1	Very high	93.3	Very high	45 Å²	45	39 Å²	39	32%	0.315	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-6.5	174.5	78.3	0	0	0	0	114.5	K355 T356 V357 P361	K355-S359 PolarHBondContact O-N 3.41Å; T356-S359 PolarHBondContact O-OG 3.32Å; V357-S359 PolarHBondContact O-N 2.89Å; S359-P361 VanDerWaalsContact O-CD 3.3Å; S359-P361 WeakPolarHBondContact O-CD 3.21Å
360	L	94.7	Very high	93.4	Very high	6 Å²	6	42 Å²	42	3%	0.031	22%	0.215	C	C	.	.			trans	-118.2	76.7	-171.8	-59.7	169.7	0	0	0	110.5	F333 V336 L339 L342 T356 V357 E358 N362 L363	F333-L360 HydrophobicContact CB-CD2 3.95Å; F333-L360 HydrophobicContact CD1-CD2 4.21Å; F333-L360 HydrophobicContact CD2-CD1 4.4Å; F333-L360 HydrophobicContact CG-CD1 4.48Å; F333-L360 HydrophobicContact CG-CD2 4.05Å; V336-L360 HydrophobicContact CB-CD2 4.17Å; L339-L360 HydrophobicContact CB-CD2 4.13Å; L339-L360 HydrophobicContact CD2-CD1 3.96Å; L339-L360 HydrophobicContact CD2-CD2 3.87Å; L339-L360 HydrophobicContact CD2-CG 4.49Å; L342-L360 HydrophobicContact CD2-CD1 4.04Å; T356-L360 WeakPolarHBondContact O-CD1 3.45Å; V357-L360 PolarHBondContact O-N 3.19Å; E358-L360 PolarHBondContact O-N 3.23Å; L360-N362 VanDerWaalsContact C-N 3.27Å; L360-N362 PolarHBondContact O-N 3.12Å; L360-N362 VanDerWaalsContact O-N 3.14Å; L360-L363 HydrophobicContact CB-CB 4.02Å; L360-L363 HydrophobicContact CD1-CD2 4.21Å; L360-L363 WeakPolarHBondContact O-CB 3.31Å; L360-L363 PolarHBondContact O-N 2.89Å; L360-L363 VanDerWaalsContact O-N 3.14Å
361	P	92.8	Very high	93.6	Very high	97 Å²	97	42 Å²	42	63%	0.63	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-18.4	-164.1	27	-37	0	0	0	115.6	P337 S359	P337-P361 HydrophobicContact CB-CG 4.47Å; S359-P361 VanDerWaalsContact O-CD 3.3Å; S359-P361 WeakPolarHBondContact O-CD 3.21Å
362	N	95	Very high	93.7	Very high	85 Å²	85	44 Å²	44	46%	0.455	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	9.2	178	-71.3	-64.7	0	0	0	113.7	P337 L339 L360 R364	P337-N362 WeakPolarHBondContact O-CB 3.4Å; P337-N362 PolarHBondContact O-ND2 2.65Å; L339-N362 CarbonylContact O-C 3.41Å; L360-N362 VanDerWaalsContact C-N 3.27Å; L360-N362 PolarHBondContact O-N 3.12Å; L360-N362 VanDerWaalsContact O-N 3.14Å; N362-R364 WeakPolarHBondContact O-CG 3.24Å; N362-R364 PolarHBondContact O-N 2.94Å; N362-R364 VanDerWaalsContact O-N 3.16Å
363	L	95.6	Very high	93.7	Very high	15 Å²	15	43.7 Å²	43.7	8%	0.079	23%	0.226	C	C	.	.			trans	-63	118.2	-176.6	-168.5	70.2	0	0	0	110.9	L339 L342 V357 L360 I389	L339-L363 HydrophobicContact CD2-CD1 4.33Å; L339-L363 HydrophobicContact CG-CD1 4.35Å; L339-L363 WeakPolarHBondContact O-CA 3.45Å; L339-L363 PolarHBondContact O-N 2.9Å; L342-L363 HydrophobicContact CB-CD1 3.75Å; L342-L363 HydrophobicContact CD2-CD2 4.48Å; V357-L363 HydrophobicContact CG1-CD2 4.22Å; L360-L363 HydrophobicContact CB-CB 4.02Å; L360-L363 HydrophobicContact CD1-CD2 4.21Å; L360-L363 WeakPolarHBondContact O-CB 3.31Å; L360-L363 PolarHBondContact O-N 2.89Å; L360-L363 VanDerWaalsContact O-N 3.14Å; L363-I389 HydrophobicContact CD2-CD1 4.32Å
364	R	94.6	Very high	93.7	Very high	141 Å²	141	44.6 Å²	44.6	53%	0.532	23%	0.23	S	C	.	.			trans	-99.6	-38.8	-179.3	-60.8	-168	-173	122.8	20.2	112	E340 N362 R390	E340-R364 HydrophobicContact CB-CG 4.5Å; E340-R364 PolarHBondContact O-N 3.5Å; E340-R364 IonicContact OE1-CZ 3.07Å; E340-R364 IonicContact OE1-NH1 2.77Å; E340-R364 PolarHBondContact OE1-NH1 2.87Å; E340-R364 IonicContact OE1-NH2 3.2Å; E340-R364 PolarHBondContact OE1-NH2 3.2Å; E340-R364 IonicContact OE2-CZ 3.68Å; E340-R364 IonicContact OE2-NH1 3.23Å; E340-R364 PolarHBondContact OE2-NH1 2.64Å; E340-R364 IonicContact OE2-NH2 3.21Å; N362-R364 WeakPolarHBondContact O-CG 3.24Å; N362-R364 PolarHBondContact O-N 2.94Å; N362-R364 VanDerWaalsContact O-N 3.16Å; R364-R390 WeakPolarHBondContact O-CB 3.31Å; R364-R390 PolarHBondContact O-N 3.38Å
365	E	95.4	Very high	93.8	Very high	57 Å²	57	40.9 Å²	40.9	27%	0.266	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	142.6	-176.5	60.4	179.3	-151.4	0	0	113	E340 S341 L342 M343 R390	E340-E365 PolarHBondContact O-N 3.41Å; S341-E365 WeakPolarHBondContact CB-OE1 3.33Å; S341-E365 PolarHBondContact OG-OE1 2.65Å; L342-E365 PolarHBondContact N-O 2.95Å; L342-E365 VanDerWaalsContact N-O 3.11Å; M343-E365 HydrophobicContact CE-CB 4.38Å; M343-E365 HydrophobicContact CE-CG 3.85Å; E365-R390 VanDerWaalsContact CA-O 3.25Å; E365-R390 WeakPolarHBondContact CA-O 3.4Å; E365-R390 HydrophobicContact CB-CB 4.23Å
366	I	95.3	Very high	93.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	139.5	176.5	-162.2	176.4	0	0	0	109.9	L342 I352 V357 I368 I389 R390 F391 M392	L342-I366 HydrophobicContact CB-CG1 4.26Å; L342-I366 HydrophobicContact CD2-CD1 4.12Å; L342-I366 HydrophobicContact CD2-CG1 4.31Å; L342-I366 HydrophobicContact CG-CG1 4.27Å; L342-I366 WeakPolarHBondContact O-CA 3.47Å; I352-I366 HydrophobicContact CD1-CD1 4.29Å; V357-I366 HydrophobicContact CG2-CD1 4.31Å; I366-I368 HydrophobicContact CD1-CG2 4.04Å; I366-I368 HydrophobicContact CG1-CG2 4.03Å; I366-I389 HydrophobicContact CB-CG2 4.15Å; I366-I389 HydrophobicContact CG2-CG2 3.69Å; I366-R390 PolarHBondContact N-O 3.35Å; I366-F391 HydrophobicContact CG2-CD1 3.7Å; I366-F391 HydrophobicContact CG2-CE1 3.74Å; I366-F391 HydrophobicContact CG2-CG 4.24Å; I366-F391 HydrophobicContact CG2-CZ 4.32Å; I366-F391 WeakPolarHBondContact O-CA 3.33Å; I366-M392 PolarHBondContact O-N 3Å
367	S	95.9	Very high	93.7	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.014	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	122.7	172.6	-169	0	0	0	0	110.3	L342 M343 L344 N345 H369	L342-S367 PolarHBondContact O-N 2.55Å; M343-S367 WeakPolarHBondContact SD-CB 3.21Å; L344-S367 CarbonylContact C-O 3.57Å; L344-S367 VanDerWaalsContact C-O 3.25Å; L344-S367 VanDerWaalsContact CA-O 3.25Å; L344-S367 WeakPolarHBondContact CA-O 3.47Å; L344-S367 WeakPolarHBondContact CB-O 3.33Å; L344-S367 PolarHBondContact N-O 2.66Å; N345-S367 WeakPolarHBondContact CB-OG 3.15Å; N345-S367 PolarHBondContact N-O 2.98Å; N345-S367 WeakPolarHBondContact OD1-CB 3.39Å; N345-S367 PolarHBondContact OD1-OG 2.73Å; S367-H369 PolarHBondContact OG-CD2 3.32Å; S367-H369 PolarHBondContact OG-NE2 2.87Å
368	I	95.4	Very high	93.7	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.026	21%	0.207	C	C	.	.			trans	-135.3	6.5	179.4	67.9	166.1	0	0	0	113	I352 I366 N371 L373 I382 M397	I352-I368 HydrophobicContact CD1-CG2 3.61Å; I366-I368 HydrophobicContact CD1-CG2 4.04Å; I366-I368 HydrophobicContact CG1-CG2 4.03Å; I368-N371 WeakPolarHBondContact O-CB 3.42Å; I368-N371 PolarHBondContact O-ND2 3.01Å; I368-L373 HydrophobicContact CD1-CD1 4.23Å; I368-I382 HydrophobicContact CD1-CD1 3.32Å; I368-M397 HydrophobicContact CD1-SD 3.91Å; I368-M397 HydrophobicContact CG1-CG 4.35Å; I368-M397 HydrophobicContact CG1-SD 3.51Å; I368-M397 VanDerWaalsContact CG1-SD 3.51Å
369	H	95.4	Very high	93.7	Very high	14 Å²	14	32.8 Å²	32.8	7%	0.065	18%	0.18	C	C	.	.			trans	-64.6	168.5	-179.8	67.4	91.3	0	0	0	112.1	N345 N346 S367 N371 E393 M397	N345-H369 VanDerWaalsContact CA-O 3.23Å; N345-H369 WeakPolarHBondContact CA-O 3.12Å; N345-H369 WeakPolarHBondContact CB-NE2 3.5Å; N345-H369 VanDerWaalsContact CB-O 3.26Å; N345-H369 WeakPolarHBondContact CB-O 3.36Å; N346-H369 PolarHBondContact N-O 2.86Å; N346-H369 VanDerWaalsContact N-O 3.16Å; S367-H369 PolarHBondContact OG-CD2 3.32Å; S367-H369 PolarHBondContact OG-NE2 2.87Å; H369-N371 VanDerWaalsContact C-N 3.25Å; H369-N371 PolarHBondContact O-N 2.75Å; H369-N371 PolarHBondContact O-ND2 3.39Å; H369-N371 VanDerWaalsContact O-ND2 3.13Å; H369-E393 HydrophobicContact CB-CB 4.3Å; H369-E393 IonicContact CE1-OE2 3.74Å; H369-E393 IonicContact ND1-OE2 3.6Å; H369-M397 HydrophobicContact CB-CG 4.08Å
370	S	96.3	Very high	93.4	Very high	64 Å²	64	35 Å²	35	45%	0.448	19%	0.185	S	C	.	.	S	Bend	trans	56.5	36.8	-178.6	-45.7	0	0	0	0	113.6	N346	N346-S370 WeakPolarHBondContact CA-O 3.34Å; N346-S370 VanDerWaalsContact OD1-CB 3.23Å; N346-S370 WeakPolarHBondContact OD1-CB 3.48Å; N346-S370 PolarHBondContact OD1-OG 3.36Å
371	N	96.4	Very high	93	Very high	15 Å²	15	35.2 Å²	35.2	8%	0.08	19%	0.185	C	C	.	.	S	Bend	trans	-119.6	152.9	175.9	-84.9	-82.7	0	0	0	110.9	L344 N347 L349 I368 H369 L373	L344-N371 PolarHBondContact O-ND2 3.25Å; N347-N371 WeakPolarHBondContact CA-OD1 3.48Å; N347-N371 VanDerWaalsContact CB-OD1 3.25Å; N347-N371 WeakPolarHBondContact CB-OD1 3.47Å; N347-N371 PolarHBondContact N-OD1 3.09Å; N347-N371 PolarHBondContact O-OD1 2.83Å; N347-N371 VanDerWaalsContact O-OD1 3.1Å; L349-N371 VanDerWaalsContact CB-OD1 3.31Å; L349-N371 WeakPolarHBondContact CB-OD1 3.31Å; L349-N371 PolarHBondContact N-OD1 3.09Å; I368-N371 WeakPolarHBondContact O-CB 3.42Å; I368-N371 PolarHBondContact O-ND2 3.01Å; H369-N371 VanDerWaalsContact C-N 3.25Å; H369-N371 PolarHBondContact O-N 2.75Å; H369-N371 PolarHBondContact O-ND2 3.39Å; H369-N371 VanDerWaalsContact O-ND2 3.13Å; N371-L373 HydrophobicContact CB-CD2 3.7Å; N371-L373 HydrophobicContact CB-CG 3.94Å; N371-L373 PolarHBondContact O-N 2.82Å
372	P	94.8	Very high	92.8	Very high	49 Å²	49	31 Å²	31	32%	0.318	16%	0.157	S	C	.	.			trans	-78.8	63.7	176.3	35	-37.5	0	0	0	112	N347 A348 L349 N350 A400	N347-P372 WeakPolarHBondContact O-CD 3.47Å; A348-P372 WeakPolarHBondContact O-CG 3.43Å; L349-P372 WeakPolarHBondContact O-CD 3.46Å; N350-P372 PolarHBondContact ND2-O 2.67Å; P372-A400 HydrophobicContact CB-CB 4.14Å
373	L	94.4	Very high	92	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.016	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	135.5	-170	-58.8	175.1	0	0	0	113	N350 I368 N371 I379 A400 M401 V410	N350-L373 CarbonylContact O-C 3.57Å; N350-L373 VanDerWaalsContact O-CA 3.31Å; N350-L373 WeakPolarHBondContact O-CA 3.19Å; I368-L373 HydrophobicContact CD1-CD1 4.23Å; N371-L373 HydrophobicContact CB-CD2 3.7Å; N371-L373 HydrophobicContact CB-CG 3.94Å; N371-L373 PolarHBondContact O-N 2.82Å; L373-I379 HydrophobicContact CB-CD1 4.11Å; L373-I379 HydrophobicContact CD1-CD1 4.01Å; L373-I379 HydrophobicContact CD2-CD1 3.87Å; L373-I379 HydrophobicContact CG-CD1 4.21Å; L373-A400 PolarHBondContact O-N 3Å; L373-M401 PolarHBondContact O-N 3.19Å; L373-V410 HydrophobicContact CD1-CG2 3.78Å
374	R	92.1	Very high	91	Very high	25 Å²	25	30.5 Å²	30.5	9%	0.094	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	108.6	171.5	-171.8	173.8	84.2	156	2.9	108.2	N350 D376 I379 M401 L423 M450	N350-R374 HydrophobicContact CB-CB 4.33Å; N350-R374 PolarHBondContact O-N 3.5Å; R374-D376 HydrophobicContact CG-CB 4.26Å; R374-D376 IonicContact CZ-OD2 2.69Å; R374-D376 IonicContact NE-OD2 2.65Å; R374-D376 PolarHBondContact NE-OD2 2.8Å; R374-D376 IonicContact NH2-OD2 2.79Å; R374-D376 PolarHBondContact NH2-OD2 3.16Å; R374-D376 PolarHBondContact O-N 2.88Å; R374-D376 VanDerWaalsContact O-N 3.09Å; R374-I379 VanDerWaalsContact O-CG2 3.25Å; R374-I379 WeakPolarHBondContact O-CG2 3.49Å; R374-M401 CarbonylContact C-O 3.57Å; R374-M401 WeakPolarHBondContact CA-O 3.49Å; R374-M401 HydrophobicContact CB-CB 4.39Å; R374-M401 HydrophobicContact CG-CB 4.12Å; R374-L423 PolarHBondContact NH1-O 2.9Å; R374-L423 PolarHBondContact NH2-O 3.17Å; R374-M450 PolarHBondContact NH2-O 2.89Å
375	C	91.8	Very high	89.6	Confident	6 Å²	6	32.1 Å²	32.1	4%	0.041	18%	0.177	C	C	.	.			trans	-81.9	85.5	-178.7	-69.7	0	0	0	0	110.7	C399 M401 P402 Y405	C375-C399 HydrophobicContact CB-CB 3.83Å; C375-C399 WeakPolarHBondContact CB-SG 3.47Å; C375-C399 VanDerWaalsContact SG-CA 3.57Å; C375-C399 WeakPolarHBondContact SG-CB 3.27Å; C375-C399 CovalentContact SG-SG 2.02Å; C375-C399 PolarHBondContact SG-SG 2.91Å; C375-M401 PolarHBondContact N-O 2.88Å; C375-P402 WeakPolarHBondContact O-CD 3.21Å; C375-Y405 HydrophobicContact CB-CD2 4.41Å
376	D	89.9	Confident	88.4	Confident	19 Å²	19	37.8 Å²	37.8	10%	0.102	20%	0.201	C	C	.	.	S	Bend	trans	-137.1	-164	-173.3	72.4	-5.1	0	0	0	112.2	R374 V378 I379 H380 C422	R374-D376 HydrophobicContact CG-CB 4.26Å; R374-D376 IonicContact CZ-OD2 2.69Å; R374-D376 IonicContact NE-OD2 2.65Å; R374-D376 PolarHBondContact NE-OD2 2.8Å; R374-D376 IonicContact NH2-OD2 2.79Å; R374-D376 PolarHBondContact NH2-OD2 3.16Å; R374-D376 PolarHBondContact O-N 2.88Å; R374-D376 VanDerWaalsContact O-N 3.09Å; D376-V378 VanDerWaalsContact C-N 3.26Å; D376-V378 PolarHBondContact O-N 3.26Å; D376-V378 WeakPolarHBondContact OD1-CA 3.29Å; D376-V378 WeakPolarHBondContact OD1-CB 3.43Å; D376-V378 PolarHBondContact OD1-N 3Å; D376-I379 PolarHBondContact OD1-N 3.19Å; D376-H380 WeakPolarHBondContact O-CB 3.41Å; D376-H380 PolarHBondContact O-N 2.68Å; D376-C422 PolarHBondContact OD2-SG 2.94Å
377	C	89.1	Confident	87.3	Confident	30 Å²	30	40 Å²	40	20%	0.203	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-26.8	177.1	79	0	0	0	0	114.7	Q421 C422	C377-Q421 VanDerWaalsContact SG-C 3.58Å; C377-C422 HydrophobicContact CB-CB 3.77Å; C377-C422 WeakPolarHBondContact CB-SG 3.42Å; C377-C422 PolarHBondContact N-SG 2.84Å; C377-C422 WeakPolarHBondContact SG-CB 3.23Å; C377-C422 PolarHBondContact SG-N 3.12Å; C377-C422 CovalentContact SG-SG 2.04Å; C377-C422 PolarHBondContact SG-SG 3.2Å
378	V	91.1	Very high	86.5	Confident	7 Å²	7	48.1 Å²	48.1	4%	0.042	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-36.3	-175.3	-174.5	0	0	0	0	111.4	A351 Y353 D376 M450	A351-V378 HydrophobicContact CB-CB 4.1Å; A351-V378 HydrophobicContact CB-CG1 3.82Å; Y353-V378 HydrophobicContact CD1-CG1 3.72Å; Y353-V378 HydrophobicContact CE1-CG1 3.94Å; Y353-V378 HydrophobicContact CG-CG1 4.05Å; D376-V378 VanDerWaalsContact C-N 3.26Å; D376-V378 PolarHBondContact O-N 3.26Å; D376-V378 WeakPolarHBondContact OD1-CA 3.29Å; D376-V378 WeakPolarHBondContact OD1-CB 3.43Å; D376-V378 PolarHBondContact OD1-N 3Å; V378-M450 HydrophobicContact CG1-CE 4.18Å
379	I	89.8	Confident	86.2	Confident	4 Å²	4	49.1 Å²	49.1	2%	0.021	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-10.9	-178.7	-154.7	171.3	0	0	0	114	A351 L373 R374 D376 W381 I382	A351-I379 HydrophobicContact CB-CB 4.21Å; L373-I379 HydrophobicContact CB-CD1 4.11Å; L373-I379 HydrophobicContact CD1-CD1 4.01Å; L373-I379 HydrophobicContact CD2-CD1 3.87Å; L373-I379 HydrophobicContact CG-CD1 4.21Å; R374-I379 VanDerWaalsContact O-CG2 3.25Å; R374-I379 WeakPolarHBondContact O-CG2 3.49Å; D376-I379 PolarHBondContact OD1-N 3.19Å; I379-W381 PolarHBondContact O-N 2.67Å; I379-I382 HydrophobicContact CD1-CD1 3.95Å; I379-I382 HydrophobicContact CG1-CD1 3.53Å; I379-I382 HydrophobicContact CG1-CG1 4.12Å; I379-I382 WeakPolarHBondContact O-CG1 3.43Å; I379-I382 PolarHBondContact O-N 2.87Å; I379-I382 VanDerWaalsContact O-N 3.09Å
380	H	85	Confident	86.1	Confident	92 Å²	92	56.2 Å²	56.2	43%	0.426	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-50.9	-28.7	-176.1	-179.6	-125.5	0	0	0	114.9	D376 I382 N383 I415	D376-H380 WeakPolarHBondContact O-CB 3.41Å; D376-H380 PolarHBondContact O-N 2.68Å; H380-I382 PolarHBondContact O-N 2.87Å; H380-I382 VanDerWaalsContact O-N 3.09Å; H380-N383 PolarHBondContact O-N 3.32Å; H380-I415 HydrophobicContact CB-CD1 4.13Å
381	W	87.6	Confident	85.9	Confident	10 Å²	10	53.9 Å²	53.9	4%	0.038	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-57.1	-24.3	178.5	69.7	-94.4	0	0	0	114.3	I352 Q354 V357 I379 N383 S384 T387 F391	I352-W381 PolarHBondContact O-NE1 2.91Å; Q354-W381 HydrophobicContact CB-CB 3.9Å; Q354-W381 HydrophobicContact CB-CD2 4.43Å; Q354-W381 HydrophobicContact CB-CG 3.71Å; Q354-W381 HydrophobicContact CG-CB 3.8Å; Q354-W381 HydrophobicContact CG-CG 3.97Å; Q354-W381 VanDerWaalsContact OE1-CB 3.3Å; V357-W381 HydrophobicContact CB-CH2 4.4Å; V357-W381 HydrophobicContact CG1-CH2 4.38Å; V357-W381 HydrophobicContact CG1-CZ3 4.36Å; V357-W381 HydrophobicContact CG2-CH2 3.73Å; V357-W381 HydrophobicContact CG2-CZ2 3.84Å; V357-W381 HydrophobicContact CG2-CZ3 4.44Å; I379-W381 PolarHBondContact O-N 2.67Å; W381-N383 PolarHBondContact O-N 3.06Å; W381-S384 WeakPolarHBondContact O-CB 3.43Å; W381-S384 PolarHBondContact O-N 2.89Å; W381-T387 HydrophobicContact CE3-CG2 4.37Å; W381-T387 HydrophobicContact CZ3-CG2 4.47Å; W381-F391 HydrophobicContact CH2-CE1 4.21Å; W381-F391 AromaticContact CH2-CZ 3.91Å; W381-F391 HydrophobicContact CH2-CZ 3.91Å; W381-F391 HydrophobicContact CZ3-CE1 4.5Å; W381-F391 AromaticContact CZ3-CZ 3.76Å; W381-F391 HydrophobicContact CZ3-CZ 3.76Å
382	I	87.6	Confident	85.7	Confident	7 Å²	7	55.8 Å²	55.8	4%	0.036	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-60.2	-25.6	176.8	-66.2	-171.1	0	0	0	112.4	I368 I379 H380 S384 F391 M397 V410 K411	I368-I382 HydrophobicContact CD1-CD1 3.32Å; I379-I382 HydrophobicContact CD1-CD1 3.95Å; I379-I382 HydrophobicContact CG1-CD1 3.53Å; I379-I382 HydrophobicContact CG1-CG1 4.12Å; I379-I382 WeakPolarHBondContact O-CG1 3.43Å; I379-I382 PolarHBondContact O-N 2.87Å; I379-I382 VanDerWaalsContact O-N 3.09Å; H380-I382 PolarHBondContact O-N 2.87Å; H380-I382 VanDerWaalsContact O-N 3.09Å; I382-S384 VanDerWaalsContact C-N 3.33Å; I382-F391 HydrophobicContact CB-CE1 4.42Å; I382-F391 HydrophobicContact CB-CZ 4.19Å; I382-F391 HydrophobicContact CD1-CE1 3.85Å; I382-F391 HydrophobicContact CD1-CZ 4.37Å; I382-F391 HydrophobicContact CG1-CE1 3.92Å; I382-F391 HydrophobicContact CG1-CZ 3.93Å; I382-F391 HydrophobicContact CG2-CE1 3.87Å; I382-F391 HydrophobicContact CG2-CE2 4.43Å; I382-F391 HydrophobicContact CG2-CZ 3.8Å; I382-M397 HydrophobicContact CG2-CE 4.25Å; I382-V410 HydrophobicContact CB-CG1 4.45Å; I382-V410 HydrophobicContact CG2-CG1 4.16Å; I382-K411 HydrophobicContact CG2-CG 4.28Å
383	N	78.6	Confident	85.6	Confident	49 Å²	49	58.5 Å²	58.5	26%	0.262	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-93.4	5.5	179.3	-61.4	-2.6	0	0	0	111.7	H380 W381 V410 K411 V413	H380-N383 PolarHBondContact O-N 3.32Å; W381-N383 PolarHBondContact O-N 3.06Å; N383-V410 PolarHBondContact ND2-O 2.89Å; N383-V410 PolarHBondContact OD1-O 3.4Å; N383-K411 WeakPolarHBondContact OD1-CA 3.43Å; N383-V413 PolarHBondContact ND2-O 3.06Å; N383-V413 VanDerWaalsContact ND2-O 3.1Å
384	S	73.6	Confident	85.4	Confident	42 Å²	42	60.8 Å²	60.8	29%	0.294	30%	0.304	S	S	.	.			trans	-90	124.1	178.1	-152.5	0	0	0	0	111.8	W381 I382 K386	W381-S384 WeakPolarHBondContact O-CB 3.43Å; W381-S384 PolarHBondContact O-N 2.89Å; I382-S384 VanDerWaalsContact C-N 3.33Å; S384-K386 PolarHBondContact O-N 2.87Å
385	N	66.7	Low	85.3	Confident	174 Å²	174	65.2 Å²	65.2	93%	0.93	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	17.7	174.1	-65.5	-23.8	0	0	0	114.3
386	K	68.6	Low	85.4	Confident	176 Å²	176	66.8 Å²	66.8	77%	0.765	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-19.9	-178.5	-67.2	178.2	-178.5	174.7	0	113.5	S384	S384-K386 PolarHBondContact O-N 2.87Å
387	T	72.3	Confident	85.6	Confident	48 Å²	48	65.9 Å²	65.9	29%	0.294	34%	0.335	S	S	.	.			trans	-106.2	123.7	-175.6	56.1	0	0	0	0	112.1	W381 I389	W381-T387 HydrophobicContact CE3-CG2 4.37Å; W381-T387 HydrophobicContact CZ3-CG2 4.47Å; T387-I389 HydrophobicContact CG2-CD1 4.2Å; T387-I389 PolarHBondContact O-N 3.31Å
388	N	80.9	Confident	85.8	Confident	171 Å²	171	69.1 Å²	69.1	91%	0.914	35%	0.346	S	S	*	.			trans	-77.9	22.2	173.7	-67.8	-32.4	0	0	0	113.6
389	I	89.1	Confident	86	Confident	27 Å²	27	68.9 Å²	68.9	14%	0.138	34%	0.344	C	S	.	.			trans	-87.3	130.3	-169.3	-59.6	168.2	0	0	0	110.2	V357 L363 I366 T387 F391	V357-I389 HydrophobicContact CG1-CD1 3.24Å; L363-I389 HydrophobicContact CD2-CD1 4.32Å; I366-I389 HydrophobicContact CB-CG2 4.15Å; I366-I389 HydrophobicContact CG2-CG2 3.69Å; T387-I389 HydrophobicContact CG2-CD1 4.2Å; T387-I389 PolarHBondContact O-N 3.31Å; I389-F391 PolarHBondContact O-N 3.11Å
390	R	92.2	Very high	86.2	Confident	162 Å²	162	70.4 Å²	70.4	61%	0.611	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.4	114.5	172	-177	-177.8	-178.6	179.8	0.2	110.1	R364 E365 I366	R364-R390 WeakPolarHBondContact O-CB 3.31Å; R364-R390 PolarHBondContact O-N 3.38Å; E365-R390 VanDerWaalsContact CA-O 3.25Å; E365-R390 WeakPolarHBondContact CA-O 3.4Å; E365-R390 HydrophobicContact CB-CB 4.23Å; I366-R390 PolarHBondContact N-O 3.35Å
391	F	92.4	Very high	86.5	Confident	15 Å²	15	69.5 Å²	69.5	7%	0.066	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	128.5	166.9	-69.5	-95.5	0	0	0	109.6	I366 W381 I382 I389 P394 M397	I366-F391 HydrophobicContact CG2-CD1 3.7Å; I366-F391 HydrophobicContact CG2-CE1 3.74Å; I366-F391 HydrophobicContact CG2-CG 4.24Å; I366-F391 HydrophobicContact CG2-CZ 4.32Å; I366-F391 WeakPolarHBondContact O-CA 3.33Å; W381-F391 HydrophobicContact CH2-CE1 4.21Å; W381-F391 AromaticContact CH2-CZ 3.91Å; W381-F391 HydrophobicContact CH2-CZ 3.91Å; W381-F391 HydrophobicContact CZ3-CE1 4.5Å; W381-F391 AromaticContact CZ3-CZ 3.76Å; W381-F391 HydrophobicContact CZ3-CZ 3.76Å; I382-F391 HydrophobicContact CB-CE1 4.42Å; I382-F391 HydrophobicContact CB-CZ 4.19Å; I382-F391 HydrophobicContact CD1-CE1 3.85Å; I382-F391 HydrophobicContact CD1-CZ 4.37Å; I382-F391 HydrophobicContact CG1-CE1 3.92Å; I382-F391 HydrophobicContact CG1-CZ 3.93Å; I382-F391 HydrophobicContact CG2-CE1 3.87Å; I382-F391 HydrophobicContact CG2-CE2 4.43Å; I382-F391 HydrophobicContact CG2-CZ 3.8Å; I389-F391 PolarHBondContact O-N 3.11Å; F391-P394 HydrophobicContact CB-CB 4.14Å; F391-M397 HydrophobicContact CB-CE 4.44Å; F391-M397 HydrophobicContact CB-SD 4.47Å; F391-M397 HydrophobicContact CD1-CE 4.02Å; F391-M397 HydrophobicContact CD1-SD 3.86Å; F391-M397 HydrophobicContact CG-CE 4.36Å
392	M	93	Very high	86.6	Confident	56 Å²	56	70.9 Å²	70.9	28%	0.276	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	139.9	171.2	-60.9	-64.3	-92.3	0	0	109.7	M343 I366	M343-M392 HydrophobicContact CE-CG 4.08Å; M343-M392 HydrophobicContact SD-CG 4.43Å; I366-M392 PolarHBondContact O-N 3Å
393	E	91.9	Very high	86.8	Confident	105 Å²	105	75 Å²	75	49%	0.491	39%	0.392	S	S	.	.	S	Bend	trans	37.2	59.9	-170.4	-57.6	-164.7	-173	0	0	115	H369 L395 S396	H369-E393 HydrophobicContact CB-CB 4.3Å; H369-E393 IonicContact CE1-OE2 3.74Å; H369-E393 IonicContact ND1-OE2 3.6Å; E393-L395 PolarHBondContact O-N 3.36Å; E393-L395 VanDerWaalsContact O-N 3.09Å; E393-S396 WeakPolarHBondContact O-CA 3.3Å; E393-S396 WeakPolarHBondContact O-CB 3.39Å; E393-S396 PolarHBondContact O-N 2.76Å; E393-S396 WeakPolarHBondContact OE2-CB 3.33Å; E393-S396 PolarHBondContact OE2-OG 2.74Å
394	P	89.8	Confident	87.3	Confident	52 Å²	52	79 Å²	79	34%	0.338	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-64.9	-21.6	-172.6	26.8	-34.7	0	0	0	113.8	F391 S396 M397	F391-P394 HydrophobicContact CB-CB 4.14Å; P394-S396 VanDerWaalsContact C-N 3.33Å; P394-M397 HydrophobicContact CB-CE 4.17Å
395	L	90.2	Very high	88.1	Confident	118 Å²	118	80.5 Å²	80.5	62%	0.618	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-79	-15.4	174.7	-57.3	176	0	0	0	112.9	E393 M397 F398	E393-L395 PolarHBondContact O-N 3.36Å; E393-L395 VanDerWaalsContact O-N 3.09Å; L395-M397 VanDerWaalsContact C-N 3.32Å; L395-F398 WeakPolarHBondContact O-CE2 3.02Å; L395-F398 WeakPolarHBondContact O-CZ 3.24Å
396	S	93.6	Very high	89.4	Confident	38 Å²	38	79.1 Å²	79.1	27%	0.266	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-90.1	5.9	175.3	-57.3	0	0	0	0	112.4	E393 P394	E393-S396 WeakPolarHBondContact O-CA 3.3Å; E393-S396 WeakPolarHBondContact O-CB 3.39Å; E393-S396 PolarHBondContact O-N 2.76Å; E393-S396 WeakPolarHBondContact OE2-CB 3.33Å; E393-S396 PolarHBondContact OE2-OG 2.74Å; P394-S396 VanDerWaalsContact C-N 3.33Å
397	M	93.7	Very high	90.6	Very high	1 Å²	1	73.2 Å²	73.2	1%	0.005	38%	0.383	C	S	.	.			trans	-96.2	99	179.9	-56.5	-168.9	-47.2	0	0	110.6	I368 H369 I382 F391 P394 L395 Q409 V410 K411	I368-M397 HydrophobicContact CD1-SD 3.91Å; I368-M397 HydrophobicContact CG1-CG 4.35Å; I368-M397 HydrophobicContact CG1-SD 3.51Å; I368-M397 VanDerWaalsContact CG1-SD 3.51Å; H369-M397 HydrophobicContact CB-CG 4.08Å; I382-M397 HydrophobicContact CG2-CE 4.25Å; F391-M397 HydrophobicContact CB-CE 4.44Å; F391-M397 HydrophobicContact CB-SD 4.47Å; F391-M397 HydrophobicContact CD1-CE 4.02Å; F391-M397 HydrophobicContact CD1-SD 3.86Å; F391-M397 HydrophobicContact CG-CE 4.36Å; P394-M397 HydrophobicContact CB-CE 4.17Å; L395-M397 VanDerWaalsContact C-N 3.32Å; M397-Q409 WeakPolarHBondContact O-CA 3.33Å; M397-V410 HydrophobicContact CB-CB 4.41Å; M397-V410 HydrophobicContact CB-CG2 4.07Å; M397-V410 WeakPolarHBondContact O-CG2 3.41Å; M397-V410 PolarHBondContact O-N 2.86Å; M397-K411 HydrophobicContact CE-CD 4.36Å; M397-K411 HydrophobicContact CE-CG 4.14Å
398	F	94.8	Very high	91.6	Very high	97 Å²	97	75.4 Å²	75.4	43%	0.425	39%	0.39	S	S	.	.	B	Isolated β-bridge	trans	-112.6	145	-178.3	-61.2	-79.6	0	0	0	112.6	L395 G407 H408 Q409	L395-F398 WeakPolarHBondContact O-CE2 3.02Å; L395-F398 WeakPolarHBondContact O-CZ 3.24Å; F398-G407 WeakPolarHBondContact CD1-O 3.34Å; F398-H408 WeakPolarHBondContact CA-O 3.34Å; F398-Q409 HydrophobicContact CD1-CG 4.12Å; F398-Q409 HydrophobicContact CE1-CG 3.77Å
399	C	94.6	Very high	92.1	Very high	3 Å²	3	69.3 Å²	69.3	2%	0.02	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	125.3	169.9	-56.6	0	0	0	0	110.3	C375 Y405 K406 G407 H408	C375-C399 HydrophobicContact CB-CB 3.83Å; C375-C399 WeakPolarHBondContact CB-SG 3.47Å; C375-C399 VanDerWaalsContact SG-CA 3.57Å; C375-C399 WeakPolarHBondContact SG-CB 3.27Å; C375-C399 CovalentContact SG-SG 2.02Å; C375-C399 PolarHBondContact SG-SG 2.91Å; C399-Y405 WeakPolarHBondContact CB-O 3.25Å; C399-K406 CarbonylContact O-C 3.34Å; C399-K406 WeakPolarHBondContact O-CA 3.35Å; C399-G407 PolarHBondContact O-N 2.83Å; C399-H408 PolarHBondContact N-O 3.22Å
400	A	94.8	Very high	92.2	Very high	35 Å²	35	68.2 Å²	68.2	29%	0.289	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-28.9	168.3	0	0	0	0	0	112.2	P372 L373	P372-A400 HydrophobicContact CB-CB 4.14Å; L373-A400 PolarHBondContact O-N 3Å
401	M	90.7	Very high	91.9	Very high	74 Å²	74	65 Å²	65	37%	0.365	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	161.9	178.4	-70.7	-172.2	71.1	0	0	110.3	L373 R374 C375 M425	L373-M401 PolarHBondContact O-N 3.19Å; R374-M401 CarbonylContact C-O 3.57Å; R374-M401 WeakPolarHBondContact CA-O 3.49Å; R374-M401 HydrophobicContact CB-CB 4.39Å; R374-M401 HydrophobicContact CG-CB 4.12Å; C375-M401 PolarHBondContact N-O 2.88Å; M401-M425 HydrophobicContact CE-CE 3.75Å; M401-M425 HydrophobicContact SD-CE 3.84Å
402	P	90.4	Very high	91.5	Very high	38 Å²	38	70.3 Å²	70.3	25%	0.247	37%	0.366	C	S	.	.	S	Bend	cis	-69	171.2	-11.2	37	-40.3	0	0	0	111.4	C375 E404 Y405 K406	C375-P402 WeakPolarHBondContact O-CD 3.21Å; P402-E404 VanDerWaalsContact CB-OE2 3.26Å; P402-E404 WeakPolarHBondContact CB-OE2 3.3Å; P402-E404 PolarHBondContact O-N 3.11Å; P402-E404 VanDerWaalsContact O-N 3.1Å; P402-Y405 HydrophobicContact CG-CD2 3.93Å; P402-Y405 HydrophobicContact CG-CE2 4.5Å; P402-Y405 PolarHBondContact O-N 2.97Å; P402-Y405 VanDerWaalsContact O-N 3.16Å; P402-K406 PolarHBondContact O-N 3.01Å
403	P	90.4	Very high	91.1	Very high	94 Å²	94	68 Å²	68	61%	0.61	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-30.3	-171.4	-28	36.9	0	0	0	115.1	Y405 K406	P403-Y405 VanDerWaalsContact C-N 3.35Å; P403-K406 WeakPolarHBondContact O-CB 3.32Å; P403-K406 PolarHBondContact O-N 3.17Å
404	E	89.9	Confident	90	Very high	134 Å²	134	69.6 Å²	69.6	63%	0.626	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-35.1	-177.5	-58.1	68.3	-147.7	0	0	112	P402	P402-E404 VanDerWaalsContact CB-OE2 3.26Å; P402-E404 WeakPolarHBondContact CB-OE2 3.3Å; P402-E404 PolarHBondContact O-N 3.11Å; P402-E404 VanDerWaalsContact O-N 3.1Å
405	Y	90.8	Very high	88.9	Confident	73 Å²	73	69.2 Å²	69.2	29%	0.286	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-0.4	179	-58.5	-43.5	0	0	0	113.1	C375 C399 P402 P403 G407 H408 V413	C375-Y405 HydrophobicContact CB-CD2 4.41Å; C399-Y405 WeakPolarHBondContact CB-O 3.25Å; P402-Y405 HydrophobicContact CG-CD2 3.93Å; P402-Y405 HydrophobicContact CG-CE2 4.5Å; P402-Y405 PolarHBondContact O-N 2.97Å; P402-Y405 VanDerWaalsContact O-N 3.16Å; P403-Y405 VanDerWaalsContact C-N 3.35Å; Y405-G407 PolarHBondContact O-N 2.84Å; Y405-H408 VanDerWaalsContact C-ND1 3.34Å; Y405-H408 VanDerWaalsContact O-CB 3.31Å; Y405-H408 WeakPolarHBondContact O-CB 3.48Å; Y405-H408 PolarHBondContact O-N 2.96Å; Y405-H408 PolarHBondContact O-ND1 3.5Å; Y405-V413 HydrophobicContact CD1-CG1 3.88Å; Y405-V413 HydrophobicContact CD1-CG2 4.2Å; Y405-V413 HydrophobicContact CD2-CG1 3.69Å; Y405-V413 HydrophobicContact CE1-CG1 3.9Å; Y405-V413 HydrophobicContact CE2-CG1 3.71Å; Y405-V413 HydrophobicContact CG-CG1 3.79Å; Y405-V413 HydrophobicContact CG-CG2 4.12Å
406	K	94.3	Very high	87.2	Confident	144 Å²	144	72 Å²	72	63%	0.626	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	124.8	-176.1	-174.4	173.1	-178	177.7	0	112	C399 P402 P403	C399-K406 CarbonylContact O-C 3.34Å; C399-K406 WeakPolarHBondContact O-CA 3.35Å; P402-K406 PolarHBondContact O-N 3.01Å; P403-K406 WeakPolarHBondContact O-CB 3.32Å; P403-K406 PolarHBondContact O-N 3.17Å
407	G	92.8	Very high	85.3	Confident	52 Å²	52	76.6 Å²	76.6	54%	0.536	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.2	-5.8	-178.2	0	0	0	0	0	115.8	F398 C399 Y405	F398-G407 WeakPolarHBondContact CD1-O 3.34Å; C399-G407 PolarHBondContact O-N 2.83Å; Y405-G407 PolarHBondContact O-N 2.84Å
408	H	92.6	Very high	83.4	Confident	95 Å²	95	82.1 Å²	82.1	44%	0.44	43%	0.431	S	S	.	.	S	Bend	trans	-79	153.8	173.9	-62.4	72.8	0	0	0	110.8	F398 C399 Y405 V413	F398-H408 WeakPolarHBondContact CA-O 3.34Å; C399-H408 PolarHBondContact N-O 3.22Å; Y405-H408 VanDerWaalsContact C-ND1 3.34Å; Y405-H408 VanDerWaalsContact O-CB 3.31Å; Y405-H408 WeakPolarHBondContact O-CB 3.48Å; Y405-H408 PolarHBondContact O-N 2.96Å; Y405-H408 PolarHBondContact O-ND1 3.5Å; H408-V413 HydrophobicContact CB-CG2 3.97Å
409	Q	92.2	Very high	81.7	Confident	42 Å²	42	80.8 Å²	80.8	20%	0.196	43%	0.434	C	S	.	.	B	Isolated β-bridge	trans	-73	137.7	173.5	-62.6	-171.5	9.3	0	0	110.6	M397 F398 K411 E412 V413	M397-Q409 WeakPolarHBondContact O-CA 3.33Å; F398-Q409 HydrophobicContact CD1-CG 4.12Å; F398-Q409 HydrophobicContact CE1-CG 3.77Å; Q409-K411 PolarHBondContact O-N 2.89Å; Q409-K411 VanDerWaalsContact O-N 3.08Å; Q409-E412 HydrophobicContact CB-CB 4.44Å; Q409-E412 HydrophobicContact CB-CG 4.05Å; Q409-E412 WeakPolarHBondContact CB-OE2 3.35Å; Q409-E412 PolarHBondContact O-N 3.22Å; Q409-V413 PolarHBondContact O-N 2.87Å
410	V	91.1	Very high	80.9	Confident	4 Å²	4	88.9 Å²	88.9	2%	0.024	47%	0.472	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-37	-178.1	178.1	0	0	0	0	111.8	L373 I382 N383 M397 E412	L373-V410 HydrophobicContact CD1-CG2 3.78Å; I382-V410 HydrophobicContact CB-CG1 4.45Å; I382-V410 HydrophobicContact CG2-CG1 4.16Å; N383-V410 PolarHBondContact ND2-O 2.89Å; N383-V410 PolarHBondContact OD1-O 3.4Å; M397-V410 HydrophobicContact CB-CB 4.41Å; M397-V410 HydrophobicContact CB-CG2 4.07Å; M397-V410 WeakPolarHBondContact O-CG2 3.41Å; M397-V410 PolarHBondContact O-N 2.86Å; V410-E412 VanDerWaalsContact C-N 3.34Å; V410-E412 PolarHBondContact O-N 2.64Å
411	K	86	Confident	80.7	Confident	95 Å²	95	90.9 Å²	90.9	41%	0.413	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-12.3	-178.5	-65.2	-159.2	171.7	-157.5	0	115.6	I382 N383 M397 Q409	I382-K411 HydrophobicContact CG2-CG 4.28Å; N383-K411 WeakPolarHBondContact OD1-CA 3.43Å; M397-K411 HydrophobicContact CE-CD 4.36Å; M397-K411 HydrophobicContact CE-CG 4.14Å; Q409-K411 PolarHBondContact O-N 2.89Å; Q409-K411 VanDerWaalsContact O-N 3.08Å
412	E	84.5	Confident	80.6	Confident	126 Å²	126	88.3 Å²	88.3	59%	0.589	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-17.9	177.6	-62.8	178.9	139.9	0	0	111.9	Q409 V410 L414	Q409-E412 HydrophobicContact CB-CB 4.44Å; Q409-E412 HydrophobicContact CB-CG 4.05Å; Q409-E412 WeakPolarHBondContact CB-OE2 3.35Å; Q409-E412 PolarHBondContact O-N 3.22Å; V410-E412 VanDerWaalsContact C-N 3.34Å; V410-E412 PolarHBondContact O-N 2.64Å; E412-L414 PolarHBondContact O-N 2.73Å
413	V	83.8	Confident	80.7	Confident	8 Å²	8	91.1 Å²	91.1	5%	0.048	48%	0.476	C	S	.	.			trans	-74.2	97.4	179	179.3	0	0	0	0	110.7	N383 Y405 H408 Q409 I415	N383-V413 PolarHBondContact ND2-O 3.06Å; N383-V413 VanDerWaalsContact ND2-O 3.1Å; Y405-V413 HydrophobicContact CD1-CG1 3.88Å; Y405-V413 HydrophobicContact CD1-CG2 4.2Å; Y405-V413 HydrophobicContact CD2-CG1 3.69Å; Y405-V413 HydrophobicContact CE1-CG1 3.9Å; Y405-V413 HydrophobicContact CE2-CG1 3.71Å; Y405-V413 HydrophobicContact CG-CG1 3.79Å; Y405-V413 HydrophobicContact CG-CG2 4.12Å; H408-V413 HydrophobicContact CB-CG2 3.97Å; Q409-V413 PolarHBondContact O-N 2.87Å; V413-I415 HydrophobicContact CG1-CG1 3.94Å; V413-I415 PolarHBondContact O-N 3.07Å
414	L	70.1	Confident	80.9	Confident	139 Å²	139	87 Å²	87	73%	0.728	45%	0.449	S	S	*	.			trans	-76.7	99.8	164.5	-63.8	175.4	0	0	0	109	E412 Q416	E412-L414 PolarHBondContact O-N 2.73Å; L414-Q416 PolarHBondContact O-N 3.27Å
415	I	65.1	Low	81	Confident	44 Å²	44	81.7 Å²	81.7	23%	0.226	43%	0.425	C	S	.	.			trans	-71.6	95.3	173.1	-55.3	-176.9	0	0	0	107.9	H380 V413	H380-I415 HydrophobicContact CB-CD1 4.13Å; V413-I415 HydrophobicContact CG1-CG1 3.94Å; V413-I415 PolarHBondContact O-N 3.07Å
416	Q	55.9	Low	81.1	Confident	175 Å²	175	78.2 Å²	78.2	82%	0.818	41%	0.411	S	S	*	.			trans	-71.9	-32.9	-173.5	-70.2	-173.8	-49.3	0	0	113.3	L414 S418	L414-Q416 PolarHBondContact O-N 3.27Å; Q416-S418 PolarHBondContact O-N 2.8Å
417	D	52.8	Low	80.8	Confident	136 Å²	136	71.5 Å²	71.5	73%	0.727	38%	0.382	S	S	*	.	S	Bend	trans	-82.4	102.1	172.4	-77.7	-48.1	0	0	0	109.8	S419	D417-S419 PolarHBondContact O-N 3.21Å
418	S	52.8	Low	80.2	Confident	116 Å²	116	74 Å²	74	81%	0.811	38%	0.38	S	S	*	.			trans	-77.4	52.8	-175.2	67	0	0	0	0	113.3	Q416 E420	Q416-S418 PolarHBondContact O-N 2.8Å; S418-E420 PolarHBondContact O-N 3.18Å
419	S	59.9	Low	79.6	Confident	70 Å²	70	73.3 Å²	73.3	49%	0.49	38%	0.38	S	S	.	.			trans	-82.9	105.5	166.8	60.8	0	0	0	0	109.7	D417 Q421	D417-S419 PolarHBondContact O-N 3.21Å; S419-Q421 PolarHBondContact O-N 2.97Å; S419-Q421 PolarHBondContact OG-O 2.64Å
420	E	78.4	Confident	79	Confident	173 Å²	173	71.5 Å²	71.5	81%	0.808	37%	0.371	S	S	*	.	S	Bend	trans	-63.7	10.2	167.7	-58.7	-174.9	144.6	0	0	113.3	S418	S418-E420 PolarHBondContact O-N 3.18Å
421	Q	89.2	Confident	78.8	Confident	77 Å²	77	71.6 Å²	71.6	36%	0.36	37%	0.371	S	S	.	.			trans	-133.3	139.3	-175.8	-54	-174.1	7.2	0	0	108.8	C377 S419 E452 P453 V504 Q505	C377-Q421 VanDerWaalsContact SG-C 3.58Å; S419-Q421 PolarHBondContact O-N 2.97Å; S419-Q421 PolarHBondContact OG-O 2.64Å; Q421-E452 CarbonylContact C-O 3.59Å; Q421-E452 WeakPolarHBondContact CA-O 3.07Å; Q421-P453 HydrophobicContact CG-CG 4.35Å; Q421-V504 VanDerWaalsContact OE1-CG2 3.27Å; Q421-Q505 HydrophobicContact CB-CG 3.84Å
422	C	90.5	Very high	78.9	Confident	20 Å²	20	70.6 Å²	70.6	14%	0.135	37%	0.374	C	S	.	.			trans	-150.6	165.3	-180	58	0	0	0	0	112.2	D376 C377 E452 N503	D376-C422 PolarHBondContact OD2-SG 2.94Å; C377-C422 HydrophobicContact CB-CB 3.77Å; C377-C422 WeakPolarHBondContact CB-SG 3.42Å; C377-C422 PolarHBondContact N-SG 2.84Å; C377-C422 WeakPolarHBondContact SG-CB 3.23Å; C377-C422 PolarHBondContact SG-N 3.12Å; C377-C422 CovalentContact SG-SG 2.04Å; C377-C422 PolarHBondContact SG-SG 3.2Å; C422-E452 PolarHBondContact N-O 2.9Å; C422-N503 PolarHBondContact O-ND2 2.89Å
423	L	91.6	Very high	79	Confident	97 Å²	97	69.1 Å²	69.1	51%	0.508	37%	0.371	S	S	.	.			trans	-65.2	142.6	-173.1	-74.2	168	0	0	0	112.4	R374 Q505	R374-L423 PolarHBondContact NH1-O 2.9Å; R374-L423 PolarHBondContact NH2-O 3.17Å; L423-Q505 HydrophobicContact CD2-CB 4.12Å; L423-Q505 WeakPolarHBondContact CD2-O 3.05Å
424	P	94	Very high	79.2	Confident	6 Å²	6	77.3 Å²	77.3	4%	0.039	40%	0.401	C	S	.	.			trans	-56.8	150.5	169.3	-22.8	34.7	0	0	0	112.5	M450 A451 P455 A501 N503 D508	P424-M450 CarbonylContact C-O 3.59Å; P424-M450 WeakPolarHBondContact CA-O 3.43Å; P424-A451 HydrophobicContact CB-CB 4.1Å; P424-A451 HydrophobicContact CG-CB 4.01Å; P424-P455 HydrophobicContact CB-CB 4.24Å; P424-P455 HydrophobicContact CG-CB 4.06Å; P424-A501 HydrophobicContact CB-CB 4.12Å; P424-A501 WeakPolarHBondContact CB-O 3.24Å; P424-A501 WeakPolarHBondContact CG-O 3.38Å; P424-N503 WeakPolarHBondContact CD-OD1 3.46Å; P424-N503 HydrophobicContact CG-CB 4.21Å; P424-D508 HydrophobicContact CB-CB 4.38Å; P424-D508 WeakPolarHBondContact O-CB 3.33Å
425	M	92.1	Very high	80.2	Confident	23 Å²	23	72 Å²	72	11%	0.113	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	123.9	164.2	164.2	173.7	-78.2	0	0	108.6	M401 A449 M450 D508	M401-M425 HydrophobicContact CE-CE 3.75Å; M401-M425 HydrophobicContact SD-CE 3.84Å; M425-A449 CarbonylContact O-C 3.58Å; M425-A449 WeakPolarHBondContact O-CA 3.42Å; M425-M450 PolarHBondContact N-O 2.75Å; M425-M450 PolarHBondContact O-N 3.27Å; M425-D508 WeakPolarHBondContact CA-OD2 3.3Å
426	I	92.5	Very high	81.3	Confident	1 Å²	1	75.9 Å²	75.9	1%	0.005	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	125.9	170.1	-58.9	167.7	0	0	0	107.5	T430 C447 R448 A449 C499 A501 D508 R510	I426-T430 HydrophobicContact CG2-CG2 3.77Å; I426-C447 VanDerWaalsContact CG2-SG 3.6Å; I426-R448 WeakPolarHBondContact CA-O 3.4Å; I426-A449 HydrophobicContact CG1-CB 4.14Å; I426-C499 HydrophobicContact CD1-CB 4.23Å; I426-A501 HydrophobicContact CD1-CB 4.21Å; I426-A501 HydrophobicContact CG1-CB 3.78Å; I426-D508 HydrophobicContact CG1-CB 4.49Å; I426-D508 PolarHBondContact N-OD2 3.09Å; I426-R510 HydrophobicContact CB-CB 4.49Å; I426-R510 HydrophobicContact CB-CG 4Å; I426-R510 HydrophobicContact CD1-CB 4.1Å; I426-R510 HydrophobicContact CD1-CG 4.21Å; I426-R510 HydrophobicContact CG2-CB 4.21Å; I426-R510 HydrophobicContact CG2-CG 4.11Å
427	S	89.7	Confident	82.9	Confident	2 Å²	2	69 Å²	69	1%	0.014	36%	0.363	C	S	.	.			trans	-63.7	143.8	-174.4	-165.5	0	0	0	0	111.8	S326 D429 T430 R448 R510	S326-S427 WeakPolarHBondContact CB-OG 3.47Å; S326-S427 PolarHBondContact O-OG 2.95Å; S326-S427 PolarHBondContact OG-OG 2.72Å; S427-D429 PolarHBondContact O-N 3.31Å; S427-T430 WeakPolarHBondContact O-CB 3.11Å; S427-T430 WeakPolarHBondContact O-CG2 3.42Å; S427-T430 PolarHBondContact O-N 2.84Å; S427-R448 PolarHBondContact N-O 3.1Å; S427-R510 PolarHBondContact O-NH1 2.66Å
428	H	79	Confident	84.6	Confident	105 Å²	105	68 Å²	68	49%	0.486	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-32.2	-162.8	-78.4	77.4	0	0	0	114.2	R510	H428-R510 PolarHBondContact O-NH1 2.97Å; H428-R510 PolarHBondContact O-NH2 3.37Å
429	D	80.1	Confident	86.3	Confident	81 Å²	81	66.2 Å²	66.2	43%	0.433	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	6.2	-177.7	-64.1	-73.9	0	0	0	113.5	V301 S427 F431	V301-D429 WeakPolarHBondContact CG1-O 3.41Å; S427-D429 PolarHBondContact O-N 3.31Å; D429-F431 VanDerWaalsContact C-N 3.25Å; D429-F431 PolarHBondContact O-N 3.09Å; D429-F431 VanDerWaalsContact O-N 3.16Å
430	T	80.4	Confident	87.7	Confident	3 Å²	3	64.7 Å²	64.7	2%	0.018	33%	0.333	C	S	.	.	S	Bend	trans	-56.6	-32.9	-176.5	-159.3	0	0	0	0	114.2	I426 S427 D446 R448	I426-T430 HydrophobicContact CG2-CG2 3.77Å; S427-T430 WeakPolarHBondContact O-CB 3.11Å; S427-T430 WeakPolarHBondContact O-CG2 3.42Å; S427-T430 PolarHBondContact O-N 2.84Å; T430-D446 CarbonylContact C-O 3.51Å; T430-D446 WeakPolarHBondContact CB-O 3.07Å; T430-D446 WeakPolarHBondContact CG2-O 3.43Å; T430-D446 PolarHBondContact OG1-O 2.88Å; T430-R448 WeakPolarHBondContact OG1-CB 3.25Å; T430-R448 PolarHBondContact OG1-N 2.84Å
431	F	87.5	Confident	88.3	Confident	7 Å²	7	61.2 Å²	61.2	3%	0.031	32%	0.317	C	S	.	.	S	Bend	trans	-150.2	152.6	167.2	56.2	-109.6	0	0	0	111.3	D429 L445 C447 W459 C499 R510 A512	D429-F431 VanDerWaalsContact C-N 3.25Å; D429-F431 PolarHBondContact O-N 3.09Å; D429-F431 VanDerWaalsContact O-N 3.16Å; F431-L445 HydrophobicContact CB-CD2 4.28Å; F431-C447 HydrophobicContact CD1-CB 4.36Å; F431-C447 HydrophobicContact CE1-CB 3.99Å; F431-W459 AromaticContact CD1-CH2 3.76Å; F431-W459 HydrophobicContact CD1-CH2 3.76Å; F431-W459 AromaticContact CD1-CZ2 3.95Å; F431-W459 HydrophobicContact CD1-CZ2 3.95Å; F431-W459 AromaticContact CE1-CH2 3.38Å; F431-W459 HydrophobicContact CE1-CH2 3.38Å; F431-W459 AromaticContact CE1-CZ2 3.69Å; F431-W459 HydrophobicContact CE1-CZ2 3.69Å; F431-W459 HydrophobicContact CE1-CZ3 4.41Å; F431-W459 HydrophobicContact CE2-CH2 4.31Å; F431-W459 HydrophobicContact CG-CH2 4.39Å; F431-W459 AromaticContact CZ-CH2 3.69Å; F431-W459 HydrophobicContact CZ-CH2 3.69Å; F431-W459 HydrophobicContact CZ-CZ2 4.41Å; F431-W459 HydrophobicContact CZ-CZ3 4.36Å; F431-C499 HydrophobicContact CE1-CB 3.95Å; F431-C499 HydrophobicContact CZ-CB 4.13Å; F431-R510 HydrophobicContact CE2-CB 4.23Å; F431-R510 HydrophobicContact CZ-CB 3.69Å; F431-A512 HydrophobicContact CD2-CB 3.93Å; F431-A512 HydrophobicContact CE2-CB 3.93Å
432	P	86.9	Confident	88.6	Confident	73 Å²	73	60.2 Å²	60.2	47%	0.474	32%	0.317	S	S	.	.			trans	-70.9	137.5	176.4	27.5	-33.9	0	0	0	112.3	R434 L435	P432-R434 PolarHBondContact O-N 3.49Å; P432-R434 VanDerWaalsContact O-N 3.1Å; P432-L435 HydrophobicContact CG-CD1 4.01Å; P432-L435 HydrophobicContact CG-CD2 4.31Å; P432-L435 HydrophobicContact CG-CG 3.95Å; P432-L435 WeakPolarHBondContact O-CD1 3.29Å
433	N	86.3	Confident	88.7	Confident	96 Å²	96	59.6 Å²	59.6	51%	0.513	31%	0.312	S	S	.	.	S	Bend	trans	-63.2	-18.1	-178.8	-65.1	-37.5	0	0	0	114.1	R510 T513	N433-R510 PolarHBondContact OD1-NH2 2.77Å; N433-T513 PolarHBondContact O-N 2.65Å; N433-T513 PolarHBondContact O-OG1 2.67Å
434	R	88.9	Confident	88.7	Confident	179 Å²	179	60.7 Å²	60.7	68%	0.675	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.6	133.6	178.7	-61.8	-177.1	-176	-89.5	5.1	110.2	P432 T513	P432-R434 PolarHBondContact O-N 3.49Å; P432-R434 VanDerWaalsContact O-N 3.1Å; R434-T513 CarbonylContact C-O 3.25Å; R434-T513 VanDerWaalsContact CA-O 3.31Å; R434-T513 WeakPolarHBondContact CA-O 3.29Å
435	L	89.8	Confident	88.7	Confident	27 Å²	27	60.4 Å²	60.4	14%	0.141	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	139	173.7	-62.3	88.3	0	0	0	109.4	P432 M437 V443 L445 A512 T513 I514 K515	P432-L435 HydrophobicContact CG-CD1 4.01Å; P432-L435 HydrophobicContact CG-CD2 4.31Å; P432-L435 HydrophobicContact CG-CG 3.95Å; P432-L435 WeakPolarHBondContact O-CD1 3.29Å; L435-M437 HydrophobicContact CB-CG 4.47Å; L435-M437 HydrophobicContact CB-SD 4.36Å; L435-M437 HydrophobicContact CD2-SD 4.42Å; L435-V443 HydrophobicContact CD2-CG1 3.97Å; L435-L445 HydrophobicContact CD1-CD2 3.79Å; L435-L445 HydrophobicContact CD2-CD2 3.9Å; L435-A512 HydrophobicContact CD1-CB 4.18Å; L435-T513 PolarHBondContact N-O 3.23Å; L435-I514 HydrophobicContact CD1-CG1 4.5Å; L435-K515 PolarHBondContact O-N 3.11Å
436	N	89.4	Confident	88.8	Confident	126 Å²	126	59.9 Å²	59.9	67%	0.674	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.9	126.9	165.9	-57.3	-50.5	0	0	0	107.1	K515	N436-K515 CarbonylContact C-O 3.59Å; N436-K515 WeakPolarHBondContact CA-O 3.4Å
437	M	90	Very high	88.9	Confident	32 Å²	32	59.9 Å²	59.9	16%	0.158	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	148	-175.8	-59.1	-56.7	-48.5	0	0	111.3	L435 M441 V443 I489 I514 K515 V516 N517	L435-M437 HydrophobicContact CB-CG 4.47Å; L435-M437 HydrophobicContact CB-SD 4.36Å; L435-M437 HydrophobicContact CD2-SD 4.42Å; M437-M441 HydrophobicContact CE-CB 3.71Å; M437-M441 HydrophobicContact CE-CG 4.23Å; M437-V443 HydrophobicContact CE-CG2 3.91Å; M437-V443 HydrophobicContact CG-CG2 3.8Å; M437-V443 HydrophobicContact SD-CG2 3.98Å; M437-I489 HydrophobicContact CB-CG2 4.2Å; M437-I489 HydrophobicContact CG-CD1 4.47Å; M437-I514 HydrophobicContact CB-CG2 4.46Å; M437-I514 HydrophobicContact CG-CG2 3.81Å; M437-K515 PolarHBondContact N-O 3.26Å; M437-V516 CarbonylContact O-C 3.56Å; M437-V516 VanDerWaalsContact O-CA 3.32Å; M437-V516 WeakPolarHBondContact O-CA 3.44Å; M437-N517 PolarHBondContact O-N 2.91Å
438	D	87.8	Confident	89	Confident	113 Å²	113	59.9 Å²	59.9	60%	0.604	31%	0.309	S	S	*	.			trans	-90.2	156.5	167.9	-66.1	-50.4	0	0	0	111.3	M441 I489	D438-M441 HydrophobicContact CB-CG 4.25Å; D438-M441 WeakPolarHBondContact O-CB 3.28Å; D438-M441 WeakPolarHBondContact O-CG 3.45Å; D438-M441 PolarHBondContact O-N 2.99Å; D438-I489 WeakPolarHBondContact O-CG2 3.25Å
439	I	88.8	Confident	89.7	Confident	80 Å²	80	55 Å²	55	41%	0.41	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	135.3	-175.7	-60.6	168.7	0	0	0	110	I489 I491 V516 N517	I439-I489 WeakPolarHBondContact CA-O 3.36Å; I439-I491 HydrophobicContact CD1-CD1 3.95Å; I439-I491 HydrophobicContact CD1-CG1 3.8Å; I439-I491 HydrophobicContact CG1-CG1 4.24Å; I439-V516 HydrophobicContact CG1-CG1 3.68Å; I439-N517 HydrophobicContact CD1-CB 4.36Å; I439-N517 HydrophobicContact CG1-CB 4.42Å
440	G	88.6	Confident	90.3	Very high	37 Å²	37	51.5 Å²	51.5	38%	0.381	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.3	-8.1	179.4	0	0	0	0	0	115.1	N488 I489	G440-N488 WeakPolarHBondContact CA-OD1 3.45Å; G440-I489 PolarHBondContact N-O 3.16Å
441	M	91.9	Very high	90.9	Very high	100 Å²	100	51.3 Å²	51.3	49%	0.493	27%	0.267	S	S	.	.			trans	-67.7	153.5	174.3	-65.8	-65.4	-74.9	0	0	111.9	M437 D438 N488 I489	M437-M441 HydrophobicContact CE-CB 3.71Å; M437-M441 HydrophobicContact CE-CG 4.23Å; D438-M441 HydrophobicContact CB-CG 4.25Å; D438-M441 WeakPolarHBondContact O-CB 3.28Å; D438-M441 WeakPolarHBondContact O-CG 3.45Å; D438-M441 PolarHBondContact O-N 2.99Å; M441-N488 PolarHBondContact O-N 2.94Å; M441-I489 HydrophobicContact CB-CG2 4.24Å; M441-I489 WeakPolarHBondContact O-CB 3.35Å; M441-I489 WeakPolarHBondContact O-CG2 3.33Å; M441-I489 PolarHBondContact O-N 2.79Å
442	T	94.2	Very high	91.1	Very high	57 Å²	57	54.2 Å²	54.2	35%	0.35	28%	0.28	S	S	.	.			trans	-96.8	133.8	166.1	-63.6	0	0	0	0	109.5	F444 E485 I486	T442-F444 HydrophobicContact CG2-CE1 4.3Å; T442-F444 HydrophobicContact CG2-CE2 3.85Å; T442-F444 HydrophobicContact CG2-CZ 3.72Å; T442-E485 HydrophobicContact CG2-CG 3.75Å; T442-I486 CarbonylContact C-O 3.59Å; T442-I486 VanDerWaalsContact CA-O 3.29Å; T442-I486 WeakPolarHBondContact CA-O 3.31Å
443	V	92.9	Very high	91.4	Very high	6 Å²	6	52.8 Å²	52.8	4%	0.036	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	141.1	176.7	-171	0	0	0	0	109.8	L435 M437 L445 E485 I486 I489 I514	L435-V443 HydrophobicContact CD2-CG1 3.97Å; M437-V443 HydrophobicContact CE-CG2 3.91Å; M437-V443 HydrophobicContact CG-CG2 3.8Å; M437-V443 HydrophobicContact SD-CG2 3.98Å; V443-L445 HydrophobicContact CG1-CD2 4.15Å; V443-L445 HydrophobicContact CG1-CG 4.14Å; V443-E485 CarbonylContact O-C 3.51Å; V443-E485 WeakPolarHBondContact O-CA 3.47Å; V443-I486 HydrophobicContact CB-CB 4.21Å; V443-I486 PolarHBondContact N-O 3.03Å; V443-I486 PolarHBondContact O-N 2.89Å; V443-I489 HydrophobicContact CG2-CD1 3.75Å; V443-I514 HydrophobicContact CG1-CD1 4.33Å
444	F	92.8	Very high	91.7	Very high	120 Å²	120	52.3 Å²	52.3	53%	0.526	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	127.4	167.8	-59.8	-82.6	0	0	0	109.4	T442 T483 L484 E485	T442-F444 HydrophobicContact CG2-CE1 4.3Å; T442-F444 HydrophobicContact CG2-CE2 3.85Å; T442-F444 HydrophobicContact CG2-CZ 3.72Å; F444-T483 HydrophobicContact CB-CG2 4.33Å; F444-T483 HydrophobicContact CD1-CG2 4.45Å; F444-L484 CarbonylContact C-O 3.57Å; F444-L484 WeakPolarHBondContact CA-O 3.38Å; F444-E485 HydrophobicContact CD1-CB 4.09Å; F444-E485 HydrophobicContact CD1-CG 4.21Å; F444-E485 HydrophobicContact CE1-CB 3.97Å; F444-E485 HydrophobicContact CE1-CG 3.68Å; F444-E485 HydrophobicContact CZ-CG 4.3Å
445	L	94	Very high	91.9	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	96	173.2	-60.9	177.3	0	0	0	109	F431 L435 V443 C447 W459 T483 L484 A512 I514	F431-L445 HydrophobicContact CB-CD2 4.28Å; L435-L445 HydrophobicContact CD1-CD2 3.79Å; L435-L445 HydrophobicContact CD2-CD2 3.9Å; V443-L445 HydrophobicContact CG1-CD2 4.15Å; V443-L445 HydrophobicContact CG1-CG 4.14Å; L445-C447 PolarHBondContact O-N 3.02Å; L445-W459 HydrophobicContact CB-CH2 3.56Å; L445-W459 HydrophobicContact CB-CZ2 3.52Å; L445-W459 HydrophobicContact CB-CZ3 4.49Å; L445-W459 HydrophobicContact CD1-CH2 3.63Å; L445-W459 HydrophobicContact CD1-CZ2 4.34Å; L445-W459 HydrophobicContact CD1-CZ3 3.81Å; L445-W459 HydrophobicContact CG-CH2 4.21Å; L445-W459 WeakPolarHBondContact O-CZ2 3.43Å; L445-T483 WeakPolarHBondContact O-CA 2.95Å; L445-L484 HydrophobicContact CB-CB 4.44Å; L445-L484 PolarHBondContact N-O 2.75Å; L445-L484 PolarHBondContact O-N 3.22Å; L445-A512 HydrophobicContact CD1-CB 3.8Å; L445-A512 HydrophobicContact CD2-CB 4.24Å; L445-I514 HydrophobicContact CD1-CD1 4.26Å
446	D	92.9	Very high	92.1	Very high	12 Å²	12	48.1 Å²	48.1	6%	0.064	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	101	177.1	-75.2	-58.9	0	0	0	110.2	K277 T430 R448 T483	K277-D446 IonicContact NZ-OD1 3.75Å; K277-D446 PolarHBondContact NZ-OD1 2.76Å; K277-D446 IonicContact NZ-OD2 2.81Å; K277-D446 PolarHBondContact NZ-OD2 3.06Å; T430-D446 CarbonylContact C-O 3.51Å; T430-D446 WeakPolarHBondContact CB-O 3.07Å; T430-D446 WeakPolarHBondContact CG2-O 3.43Å; T430-D446 PolarHBondContact OG1-O 2.88Å; D446-R448 IonicContact OD1-CZ 3.92Å; D446-R448 IonicContact OD1-NH1 3.44Å; D446-R448 PolarHBondContact OD1-NH1 2.81Å; D446-R448 IonicContact OD1-NH2 2.66Å; D446-R448 PolarHBondContact OD1-NH2 3.33Å; D446-T483 WeakPolarHBondContact OD1-CB 3.48Å; D446-T483 WeakPolarHBondContact OD1-CG2 3.25Å; D446-T483 PolarHBondContact OD1-OG1 3.23Å
447	C	94.1	Very high	92.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.23	C	C	.	.			trans	-93.4	109.3	171.2	-168.3	0	0	0	0	110.5	I426 F431 L445 I457 W459 E481 G482 C499	I426-C447 VanDerWaalsContact CG2-SG 3.6Å; F431-C447 HydrophobicContact CD1-CB 4.36Å; F431-C447 HydrophobicContact CE1-CB 3.99Å; L445-C447 PolarHBondContact O-N 3.02Å; C447-I457 HydrophobicContact CB-CG2 4.2Å; C447-I457 WeakPolarHBondContact O-CD1 3.49Å; C447-W459 HydrophobicContact CB-CZ2 3.71Å; C447-E481 VanDerWaalsContact O-O 3.13Å; C447-G482 WeakPolarHBondContact CB-O 3.5Å; C447-G482 PolarHBondContact N-O 3.01Å; C447-C499 HydrophobicContact CB-CB 3.82Å; C447-C499 WeakPolarHBondContact CB-SG 3.46Å; C447-C499 WeakPolarHBondContact SG-CB 3.48Å; C447-C499 CovalentContact SG-SG 2.03Å; C447-C499 PolarHBondContact SG-SG 2.9Å
448	R	93.3	Very high	92.6	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.008	23%	0.23	C	C	.	.			trans	-109.9	132.5	174.9	-57.6	-62.6	-178.1	-88.6	-13.8	110.5	D304 Y327 I426 S427 T430 D446 E481 T483	D304-R448 IonicContact OD1-CZ 3.24Å; D304-R448 VanDerWaalsContact OD1-CZ 3.26Å; D304-R448 IonicContact OD1-NE 2.78Å; D304-R448 PolarHBondContact OD1-NE 2.84Å; D304-R448 IonicContact OD1-NH2 2.73Å; D304-R448 PolarHBondContact OD1-NH2 2.7Å; D304-R448 IonicContact OD2-CZ 2.68Å; D304-R448 IonicContact OD2-NH2 3.13Å; D304-R448 PolarHBondContact OD2-NH2 3.14Å; Y327-R448 HydrophobicContact CD1-CB 3.7Å; Y327-R448 HydrophobicContact CD1-CG 3.7Å; Y327-R448 HydrophobicContact CD2-CB 3.73Å; Y327-R448 HydrophobicContact CE1-CB 4.04Å; Y327-R448 HydrophobicContact CE1-CG 4.09Å; Y327-R448 HydrophobicContact CE2-CB 4.06Å; Y327-R448 HydrophobicContact CG-CB 3.51Å; Y327-R448 HydrophobicContact CG-CG 3.99Å; I426-R448 WeakPolarHBondContact CA-O 3.4Å; S427-R448 PolarHBondContact N-O 3.1Å; T430-R448 WeakPolarHBondContact OG1-CB 3.25Å; T430-R448 PolarHBondContact OG1-N 2.84Å; D446-R448 IonicContact OD1-CZ 3.92Å; D446-R448 IonicContact OD1-NH1 3.44Å; D446-R448 PolarHBondContact OD1-NH1 2.81Å; D446-R448 IonicContact OD1-NH2 2.66Å; D446-R448 PolarHBondContact OD1-NH2 3.33Å; R448-E481 PolarHBondContact NH1-O 2.83Å; R448-T483 PolarHBondContact NH1-OG1 2.78Å; R448-T483 PolarHBondContact NH2-OG1 3.24Å
449	A	93.1	Very high	93	Very high	2 Å²	2	38.5 Å²	38.5	2%	0.017	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	149.5	-177.9	0	0	0	0	0	112.7	Y327 M425 I426 P455 I457 A501	Y327-A449 WeakPolarHBondContact CE2-O 3.19Å; M425-A449 CarbonylContact O-C 3.58Å; M425-A449 WeakPolarHBondContact O-CA 3.42Å; I426-A449 HydrophobicContact CG1-CB 4.14Å; A449-P455 HydrophobicContact CB-CG 4.04Å; A449-I457 HydrophobicContact CB-CD1 4.1Å; A449-A501 HydrophobicContact CB-CB 3.51Å
450	M	92.4	Very high	93	Very high	8 Å²	8	36.5 Å²	36.5	4%	0.039	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	128.8	177.7	-59.1	-167.9	83.4	0	0	111.4	Y327 A351 Y353 R374 V378 P424 M425	Y327-M450 HydrophobicContact CD2-CG 3.81Å; Y327-M450 HydrophobicContact CD2-SD 4.34Å; Y327-M450 HydrophobicContact CE2-CG 3.74Å; A351-M450 HydrophobicContact CB-CE 3.92Å; A351-M450 HydrophobicContact CB-SD 4.3Å; Y353-M450 HydrophobicContact CD2-CE 3.7Å; Y353-M450 HydrophobicContact CE2-CE 3.49Å; Y353-M450 VanDerWaalsContact CE2-CE 3.49Å; Y353-M450 HydrophobicContact CE2-CG 4.46Å; Y353-M450 WeakPolarHBondContact OH-CA 3.34Å; R374-M450 PolarHBondContact NH2-O 2.89Å; V378-M450 HydrophobicContact CG1-CE 4.18Å; P424-M450 CarbonylContact C-O 3.59Å; P424-M450 WeakPolarHBondContact CA-O 3.43Å; M425-M450 PolarHBondContact N-O 2.75Å; M425-M450 PolarHBondContact O-N 3.27Å
451	A	93.1	Very high	92.9	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.176	C	C	.	.			trans	-164.9	162	175.3	0	0	0	0	0	110	Y353 P424 P455 N503	Y353-A451 WeakPolarHBondContact CE1-O 3.39Å; Y353-A451 PolarHBondContact OH-N 3.01Å; Y353-A451 PolarHBondContact OH-O 3.24Å; P424-A451 HydrophobicContact CB-CB 4.1Å; P424-A451 HydrophobicContact CG-CB 4.01Å; A451-P455 HydrophobicContact CB-CB 4.48Å; A451-P455 HydrophobicContact CB-CG 4.18Å; A451-N503 WeakPolarHBondContact CB-ND2 3.28Å
452	E	92.1	Very high	92.4	Very high	68 Å²	68	31.6 Å²	31.6	32%	0.318	16%	0.161	S	C	.	.	S	Bend	trans	-127.5	133	156.3	-162.7	67.4	-117.6	0	0	107.6	Q421 C422 N503	Q421-E452 CarbonylContact C-O 3.59Å; Q421-E452 WeakPolarHBondContact CA-O 3.07Å; C422-E452 PolarHBondContact N-O 2.9Å; E452-N503 PolarHBondContact O-ND2 2.93Å
453	P	93.3	Very high	91.5	Very high	43 Å²	43	34.8 Å²	34.8	28%	0.279	17%	0.174	S	C	.	.	S	Bend	cis	-56.9	153	-14	-19.5	34.2	0	0	0	112.1	Q421 N503 V504	Q421-P453 HydrophobicContact CG-CG 4.35Å; P453-N503 WeakPolarHBondContact O-CB 3.39Å; P453-N503 PolarHBondContact O-ND2 3.5Å; P453-V504 HydrophobicContact CG-CG2 4.03Å
454	E	91.7	Very high	90.8	Very high	86 Å²	86	36.9 Å²	36.9	40%	0.402	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-47.9	131.6	176	-177.8	172	-109	0	0	111.8	R330	R330-E454 VanDerWaalsContact CZ-CD 3.47Å; R330-E454 IonicContact CZ-OE1 3.02Å; R330-E454 IonicContact CZ-OE2 2.67Å; R330-E454 IonicContact NE-OE1 2.72Å; R330-E454 PolarHBondContact NE-OE1 3.19Å; R330-E454 IonicContact NE-OE2 3.59Å; R330-E454 IonicContact NH2-OE1 2.66Å; R330-E454 PolarHBondContact NH2-OE1 3Å; R330-E454 IonicContact NH2-OE2 3.55Å; R330-E454 PolarHBondContact NH2-OE2 3.12Å
455	P	94.1	Very high	90.2	Very high	15 Å²	15	35.4 Å²	35.4	10%	0.097	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-82.4	143.7	-173.2	31.9	-33	0	0	0	113.1	P424 A449 A451 I457 A501 Q502 N503	P424-P455 HydrophobicContact CB-CB 4.24Å; P424-P455 HydrophobicContact CG-CB 4.06Å; A449-P455 HydrophobicContact CB-CG 4.04Å; A451-P455 HydrophobicContact CB-CB 4.48Å; A451-P455 HydrophobicContact CB-CG 4.18Å; P455-I457 PolarHBondContact O-N 3.39Å; P455-A501 HydrophobicContact CB-CB 4.17Å; P455-A501 HydrophobicContact CG-CB 4.33Å; P455-Q502 CarbonylContact C-O 3.59Å; P455-Q502 VanDerWaalsContact CA-O 3.27Å; P455-Q502 WeakPolarHBondContact CA-O 3.39Å; P455-N503 HydrophobicContact CB-CB 4.44Å
456	E	93.9	Very high	89.9	Confident	103 Å²	103	40.1 Å²	40.1	48%	0.481	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	122.7	160.2	-172.7	-165.9	136.3	0	0	108.2	K466 A501 Q502	E456-K466 IonicContact OE1-NZ 2.67Å; E456-K466 PolarHBondContact OE1-NZ 2.66Å; E456-A501 WeakPolarHBondContact O-CA 3.38Å; E456-Q502 PolarHBondContact N-O 3.48Å; E456-Q502 PolarHBondContact O-N 2.98Å
457	I	95.4	Very high	89.9	Confident	32 Å²	32	39.9 Å²	39.9	16%	0.164	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	128.4	173.4	-57.7	-178.8	0	0	0	109.2	C447 A449 P455 V500 A501	C447-I457 HydrophobicContact CB-CG2 4.2Å; C447-I457 WeakPolarHBondContact O-CD1 3.49Å; A449-I457 HydrophobicContact CB-CD1 4.1Å; P455-I457 PolarHBondContact O-N 3.39Å; I457-V500 WeakPolarHBondContact CA-O 3.45Å; I457-A501 HydrophobicContact CG1-CB 4.26Å
458	Y	94.8	Very high	89.9	Confident	37 Å²	37	41.4 Å²	41.4	15%	0.145	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	161.4	172.6	64.5	-98.2	0	0	0	111.3	V460 K466 I467 V500 Q502	Y458-V460 HydrophobicContact CD2-CG2 4.2Å; Y458-V460 HydrophobicContact CE2-CG2 3.99Å; Y458-K466 VanDerWaalsContact CB-CE 3.49Å; Y458-K466 HydrophobicContact CD2-CD 4.04Å; Y458-K466 HydrophobicContact CD2-CG 3.63Å; Y458-K466 HydrophobicContact CE2-CD 4.29Å; Y458-K466 HydrophobicContact CE2-CG 4.12Å; Y458-K466 HydrophobicContact CG-CD 4.22Å; Y458-K466 HydrophobicContact CG-CG 4.11Å; Y458-I467 WeakPolarHBondContact CB-O 3.44Å; Y458-V500 HydrophobicContact CD1-CB 4.33Å; Y458-V500 HydrophobicContact CD2-CB 3.97Å; Y458-V500 HydrophobicContact CD2-CG2 4.22Å; Y458-V500 HydrophobicContact CE1-CB 3.97Å; Y458-V500 HydrophobicContact CE1-CG1 3.84Å; Y458-V500 HydrophobicContact CE2-CB 3.58Å; Y458-V500 HydrophobicContact CE2-CG1 4.08Å; Y458-V500 HydrophobicContact CE2-CG2 3.64Å; Y458-V500 HydrophobicContact CG-CB 4.35Å; Y458-V500 PolarHBondContact N-O 2.9Å; Y458-V500 PolarHBondContact O-N 2.94Å; Y458-Q502 HydrophobicContact CE1-CB 4.37Å; Y458-Q502 PolarHBondContact OH-OE1 2.66Å
459	W	95.3	Very high	89.7	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	148.5	178	-78	84.2	0	0	0	111.4	F431 L445 C447 K466 I467 G482 L484 T498 C499 A512	F431-W459 AromaticContact CD1-CH2 3.76Å; F431-W459 HydrophobicContact CD1-CH2 3.76Å; F431-W459 AromaticContact CD1-CZ2 3.95Å; F431-W459 HydrophobicContact CD1-CZ2 3.95Å; F431-W459 AromaticContact CE1-CH2 3.38Å; F431-W459 HydrophobicContact CE1-CH2 3.38Å; F431-W459 AromaticContact CE1-CZ2 3.69Å; F431-W459 HydrophobicContact CE1-CZ2 3.69Å; F431-W459 HydrophobicContact CE1-CZ3 4.41Å; F431-W459 HydrophobicContact CE2-CH2 4.31Å; F431-W459 HydrophobicContact CG-CH2 4.39Å; F431-W459 AromaticContact CZ-CH2 3.69Å; F431-W459 HydrophobicContact CZ-CH2 3.69Å; F431-W459 HydrophobicContact CZ-CZ2 4.41Å; F431-W459 HydrophobicContact CZ-CZ3 4.36Å; L445-W459 HydrophobicContact CB-CH2 3.56Å; L445-W459 HydrophobicContact CB-CZ2 3.52Å; L445-W459 HydrophobicContact CB-CZ3 4.49Å; L445-W459 HydrophobicContact CD1-CH2 3.63Å; L445-W459 HydrophobicContact CD1-CZ2 4.34Å; L445-W459 HydrophobicContact CD1-CZ3 3.81Å; L445-W459 HydrophobicContact CG-CH2 4.21Å; L445-W459 WeakPolarHBondContact O-CZ2 3.43Å; C447-W459 HydrophobicContact CB-CZ2 3.71Å; W459-K466 CarbonylContact O-C 3.49Å; W459-K466 WeakPolarHBondContact O-CA 3.17Å; W459-I467 HydrophobicContact CB-CB 4.4Å; W459-I467 PolarHBondContact N-O 3.41Å; W459-I467 VanDerWaalsContact N-O 3.09Å; W459-I467 PolarHBondContact O-N 3.03Å; W459-G482 PolarHBondContact NE1-O 3.07Å; W459-L484 HydrophobicContact CB-CD2 4.06Å; W459-L484 HydrophobicContact CD2-CB 4Å; W459-L484 HydrophobicContact CD2-CD2 3.91Å; W459-L484 HydrophobicContact CE3-CD2 4.09Å; W459-L484 HydrophobicContact CG-CB 3.93Å; W459-L484 HydrophobicContact CG-CD2 3.93Å; W459-L484 HydrophobicContact CG-CG 4.38Å; W459-L484 HydrophobicContact CZ2-CB 4.4Å; W459-T498 CarbonylContact C-O 3.14Å; W459-T498 WeakPolarHBondContact CA-O 3.14Å; W459-T498 VanDerWaalsContact CE3-C 3.46Å; W459-C499 HydrophobicContact CD2-CB 3.89Å; W459-C499 HydrophobicContact CE3-CB 3.98Å; W459-C499 VanDerWaalsContact CE3-N 3.32Å; W459-C499 HydrophobicContact CH2-CB 3.86Å; W459-C499 HydrophobicContact CZ2-CB 3.76Å; W459-C499 HydrophobicContact CZ3-CB 3.95Å; W459-A512 HydrophobicContact CZ3-CB 4.5Å
460	V	89.2	Confident	89.6	Confident	38 Å²	38	53.7 Å²	53.7	23%	0.23	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	124.2	172.5	-174.3	0	0	0	0	108.4	Y458 N465 Y497 T498 V500	Y458-V460 HydrophobicContact CD2-CG2 4.2Å; Y458-V460 HydrophobicContact CE2-CG2 3.99Å; V460-N465 WeakPolarHBondContact CA-O 3.49Å; V460-Y497 WeakPolarHBondContact O-CA 3.45Å; V460-T498 PolarHBondContact N-O 2.92Å; V460-T498 PolarHBondContact O-N 3.44Å; V460-V500 HydrophobicContact CG2-CG2 4.33Å
461	T	86.9	Confident	89.3	Confident	5 Å²	5	55.5 Å²	55.5	3%	0.031	30%	0.298	C	S	.	.			trans	-76.5	166.4	-180	67.8	0	0	0	0	112.1	I463 G464 N465 I467 Y476 Y497	T461-I463 PolarHBondContact O-N 3.06Å; T461-I463 VanDerWaalsContact OG1-CG1 3.24Å; T461-I463 WeakPolarHBondContact OG1-CG1 3.2Å; T461-G464 PolarHBondContact O-N 3.1Å; T461-N465 HydrophobicContact CG2-CB 4.4Å; T461-N465 PolarHBondContact N-O 2.84Å; T461-N465 PolarHBondContact OG1-N 3Å; T461-I467 HydrophobicContact CG2-CD1 3.92Å; T461-I467 HydrophobicContact CG2-CG1 3.7Å; T461-Y476 HydrophobicContact CG2-CE1 4.32Å; T461-Y476 HydrophobicContact CG2-CE2 4.33Å; T461-Y497 HydrophobicContact CG2-CE1 4.11Å
462	P	80.4	Confident	89	Confident	28 Å²	28	63.9 Å²	63.9	18%	0.182	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-20.4	177.5	-26.2	34.2	0	0	0	115.1	Y497	P462-Y497 HydrophobicContact CG-CD2 3.89Å; P462-Y497 HydrophobicContact CG-CE1 4.37Å; P462-Y497 HydrophobicContact CG-CE2 3.53Å; P462-Y497 HydrophobicContact CG-CG 4.45Å
463	I	75.9	Confident	88.8	Confident	124 Å²	124	62.9 Å²	62.9	64%	0.636	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	2	176.8	60.7	173.1	0	0	0	113.6	T461	T461-I463 PolarHBondContact O-N 3.06Å; T461-I463 VanDerWaalsContact OG1-CG1 3.24Å; T461-I463 WeakPolarHBondContact OG1-CG1 3.2Å
464	G	77.7	Confident	88.4	Confident	51 Å²	51	68.2 Å²	68.2	53%	0.526	37%	0.369	S	S	.	.			trans	92	5.4	174.4	0	0	0	0	0	116.4	T461	T461-G464 PolarHBondContact O-N 3.1Å
465	N	81.6	Confident	88.3	Confident	89 Å²	89	66.4 Å²	66.4	48%	0.476	36%	0.36	S	S	.	.			trans	-74.4	130.3	179.1	-64.5	-8.5	0	0	0	110.7	V460 T461	V460-N465 WeakPolarHBondContact CA-O 3.49Å; T461-N465 HydrophobicContact CG2-CB 4.4Å; T461-N465 PolarHBondContact N-O 2.84Å; T461-N465 PolarHBondContact OG1-N 3Å
466	K	87.9	Confident	88.3	Confident	99 Å²	99	67 Å²	67	43%	0.43	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	125.5	167	-168.5	-171.5	-175.6	-169.2	0	109.2	E456 Y458 W459 T468	E456-K466 IonicContact OE1-NZ 2.67Å; E456-K466 PolarHBondContact OE1-NZ 2.66Å; Y458-K466 VanDerWaalsContact CB-CE 3.49Å; Y458-K466 HydrophobicContact CD2-CD 4.04Å; Y458-K466 HydrophobicContact CD2-CG 3.63Å; Y458-K466 HydrophobicContact CE2-CD 4.29Å; Y458-K466 HydrophobicContact CE2-CG 4.12Å; Y458-K466 HydrophobicContact CG-CD 4.22Å; Y458-K466 HydrophobicContact CG-CG 4.11Å; W459-K466 CarbonylContact O-C 3.49Å; W459-K466 WeakPolarHBondContact O-CA 3.17Å; K466-T468 HydrophobicContact CD-CG2 3.9Å; K466-T468 HydrophobicContact CG-CG2 4.16Å
467	I	92.8	Very high	88.3	Confident	7 Å²	7	66.7 Å²	66.7	4%	0.036	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	121.1	170.9	-49.8	-59.3	0	0	0	108	Y458 W459 T461 T471 Y476 L478 L484	Y458-I467 WeakPolarHBondContact CB-O 3.44Å; W459-I467 HydrophobicContact CB-CB 4.4Å; W459-I467 PolarHBondContact N-O 3.41Å; W459-I467 VanDerWaalsContact N-O 3.09Å; W459-I467 PolarHBondContact O-N 3.03Å; T461-I467 HydrophobicContact CG2-CD1 3.92Å; T461-I467 HydrophobicContact CG2-CG1 3.7Å; I467-T471 HydrophobicContact CD1-CG2 4.09Å; I467-T471 HydrophobicContact CG2-CG2 4.29Å; I467-Y476 HydrophobicContact CD1-CD2 4.32Å; I467-Y476 HydrophobicContact CD1-CG 4.28Å; I467-L478 HydrophobicContact CG2-CB 4.22Å; I467-L478 WeakPolarHBondContact O-CD2 3.29Å; I467-L484 HydrophobicContact CG2-CD1 4.11Å
468	T	92.6	Very high	88.2	Confident	33 Å²	33	65.9 Å²	65.9	20%	0.202	35%	0.353	C	S	.	.			trans	-115.5	169.9	175.1	61.5	0	0	0	0	110.3	K466 E470 T471	K466-T468 HydrophobicContact CD-CG2 3.9Å; K466-T468 HydrophobicContact CG-CG2 4.16Å; T468-E470 PolarHBondContact O-N 2.77Å; T468-E470 PolarHBondContact OG1-N 3.18Å; T468-T471 PolarHBondContact N-OG1 3.14Å; T468-T471 VanDerWaalsContact O-CB 3.23Å; T468-T471 WeakPolarHBondContact O-CB 3.47Å; T468-T471 PolarHBondContact O-N 2.68Å; T468-T471 PolarHBondContact O-OG1 2.78Å; T468-T471 PolarHBondContact OG1-OG1 2.65Å
469	V	90.5	Very high	88.1	Confident	89 Å²	89	66.1 Å²	66.1	54%	0.539	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-26.4	174.2	-175.9	0	0	0	0	112.1	T471 L478	V469-T471 VanDerWaalsContact C-N 3.34Å; V469-L478 HydrophobicContact CG2-CD2 4.39Å; V469-L478 HydrophobicContact CG2-CG 4.19Å
470	E	90	Very high	87.6	Confident	173 Å²	173	69.9 Å²	69.9	81%	0.808	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-4.4	177.3	-57.1	179.9	155.2	0	0	113.6	T468 L472	T468-E470 PolarHBondContact O-N 2.77Å; T468-E470 PolarHBondContact OG1-N 3.18Å; E470-L472 PolarHBondContact O-N 3.06Å; E470-L472 VanDerWaalsContact O-N 3.16Å
471	T	87	Confident	87.4	Confident	45 Å²	45	69.3 Å²	69.3	28%	0.276	38%	0.381	S	S	.	.			trans	-74.8	107.3	-174.8	-62.5	0	0	0	0	111.2	I467 T468 V469 S473	I467-T471 HydrophobicContact CD1-CG2 4.09Å; I467-T471 HydrophobicContact CG2-CG2 4.29Å; T468-T471 PolarHBondContact N-OG1 3.14Å; T468-T471 VanDerWaalsContact O-CB 3.23Å; T468-T471 WeakPolarHBondContact O-CB 3.47Å; T468-T471 PolarHBondContact O-N 2.68Å; T468-T471 PolarHBondContact O-OG1 2.78Å; T468-T471 PolarHBondContact OG1-OG1 2.65Å; V469-T471 VanDerWaalsContact C-N 3.34Å; T471-S473 PolarHBondContact O-N 3.44Å
472	L	86.3	Confident	87.6	Confident	177 Å²	177	69.1 Å²	69.1	93%	0.927	38%	0.38	S	S	*	.			trans	-75	103.4	175.1	-61.2	177.4	0	0	0	110.7	E470	E470-L472 PolarHBondContact O-N 3.06Å; E470-L472 VanDerWaalsContact O-N 3.16Å
473	S	87.1	Confident	88.2	Confident	46 Å²	46	68.4 Å²	68.4	32%	0.322	38%	0.375	S	S	.	.			trans	-149	137.6	172.7	-175.7	0	0	0	0	111.4	T471 K475 Y476	T471-S473 PolarHBondContact O-N 3.44Å; S473-K475 PolarHBondContact O-N 3.09Å; S473-K475 PolarHBondContact OG-N 3.06Å; S473-Y476 WeakPolarHBondContact CB-O 3.5Å; S473-Y476 PolarHBondContact OG-N 3.07Å
474	D	85.9	Confident	89.2	Confident	156 Å²	156	62.5 Å²	62.5	83%	0.834	35%	0.345	S	S	*	.	S	Bend	trans	-69.9	-21.8	171.9	-57.6	-56.4	0	0	0	112.4	S487	D474-S487 PolarHBondContact O-OG 2.86Å
475	K	89.6	Confident	90	Very high	48 Å²	48	62.3 Å²	62.3	21%	0.209	33%	0.331	C	S	.	.	S	Bend	trans	-94.7	-34.8	-174.5	-158.5	176.1	-161.3	-168.6	0	113.2	S473 I486 S487 E492 D493	S473-K475 PolarHBondContact O-N 3.09Å; S473-K475 PolarHBondContact OG-N 3.06Å; K475-I486 WeakPolarHBondContact O-CA 3.41Å; K475-S487 PolarHBondContact O-N 2.86Å; K475-E492 IonicContact NZ-OE1 2.88Å; K475-E492 PolarHBondContact NZ-OE1 2.88Å; K475-D493 VanDerWaalsContact CE-OD1 3.24Å; K475-D493 WeakPolarHBondContact CE-OD1 3.25Å; K475-D493 WeakPolarHBondContact CE-OD2 3.46Å; K475-D493 IonicContact NZ-OD1 3.57Å; K475-D493 PolarHBondContact NZ-OD1 2.84Å; K475-D493 IonicContact NZ-OD2 2.63Å; K475-D493 PolarHBondContact NZ-OD2 3.37Å
476	Y	93.2	Very high	90.6	Very high	28 Å²	28	58.1 Å²	58.1	11%	0.11	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	123.1	-176.1	-65.4	-68.4	0	0	0	110.8	T461 I467 S473 L484 E485 I486 D493 Y497	T461-Y476 HydrophobicContact CG2-CE1 4.32Å; T461-Y476 HydrophobicContact CG2-CE2 4.33Å; I467-Y476 HydrophobicContact CD1-CD2 4.32Å; I467-Y476 HydrophobicContact CD1-CG 4.28Å; S473-Y476 WeakPolarHBondContact CB-O 3.5Å; S473-Y476 PolarHBondContact OG-N 3.07Å; Y476-L484 HydrophobicContact CD1-CD1 4.23Å; Y476-E485 WeakPolarHBondContact CA-O 3.41Å; Y476-I486 HydrophobicContact CD1-CB 4.49Å; Y476-I486 HydrophobicContact CD1-CG1 4.03Å; Y476-I486 HydrophobicContact CD1-CG2 4.23Å; Y476-I486 HydrophobicContact CE1-CB 4.38Å; Y476-I486 HydrophobicContact CE1-CD1 4.25Å; Y476-I486 HydrophobicContact CE1-CG1 3.95Å; Y476-I486 HydrophobicContact CE1-CG2 3.77Å; Y476-D493 PolarHBondContact OH-OD1 2.82Å; Y476-D493 VanDerWaalsContact OH-OD1 3.04Å; Y476-Y497 AromaticContact CE1-CE1 3.67Å; Y476-Y497 HydrophobicContact CE1-CE1 3.67Å; Y476-Y497 PolarHBondContact OH-OH 2.61Å
477	K	93.9	Very high	90.9	Very high	96 Å²	96	54.2 Å²	54.2	42%	0.417	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	135.6	172	-52.6	176.3	-157.5	129.1	0	109.3	E485	K477-E485 HydrophobicContact CB-CB 4.25Å; K477-E485 PolarHBondContact N-O 2.9Å; K477-E485 IonicContact NZ-OE1 2.87Å; K477-E485 PolarHBondContact NZ-OE1 3.1Å; K477-E485 IonicContact NZ-OE2 2.67Å; K477-E485 PolarHBondContact NZ-OE2 2.94Å; K477-E485 PolarHBondContact O-N 3.5Å
478	L	94	Very high	90.9	Very high	15 Å²	15	58.5 Å²	58.5	8%	0.079	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	120	175.8	-178.5	54.8	0	0	0	109.6	I467 V469 G482 T483	I467-L478 HydrophobicContact CG2-CB 4.22Å; I467-L478 WeakPolarHBondContact O-CD2 3.29Å; V469-L478 HydrophobicContact CG2-CD2 4.39Å; V469-L478 HydrophobicContact CG2-CG 4.19Å; L478-G482 VanDerWaalsContact CD1-C 3.48Å; L478-T483 WeakPolarHBondContact CA-O 3.41Å; L478-T483 WeakPolarHBondContact CD1-O 3.46Å
479	S	91.4	Very high	90.7	Very high	42 Å²	42	57 Å²	57	29%	0.294	31%	0.307	S	S	.	.			trans	-67.7	153.4	170	87.5	0	0	0	0	110.3	E481 G482 T483	S479-E481 PolarHBondContact O-N 2.88Å; S479-E481 VanDerWaalsContact O-N 3.12Å; S479-E481 PolarHBondContact OG-N 2.87Å; S479-G482 PolarHBondContact O-N 2.59Å; S479-T483 PolarHBondContact N-O 2.83Å; S479-T483 WeakPolarHBondContact OG-CB 3.44Å; S479-T483 PolarHBondContact OG-N 2.82Å; S479-T483 PolarHBondContact OG-OG1 3.49Å
480	S	86.3	Confident	90.5	Very high	78 Å²	78	55.5 Å²	55.5	55%	0.545	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-15.5	171.3	22.6	0	0	0	0	113.9	R305 G482	R305-S480 PolarHBondContact NH1-OG 2.87Å; S480-G482 VanDerWaalsContact C-N 3.33Å
481	E	84.4	Confident	90	Very high	26 Å²	26	50.7 Å²	50.7	12%	0.121	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	6.9	175.7	-48.7	-63.3	107.5	0	0	112.5	R305 H329 C447 R448 S479	R305-E481 WeakPolarHBondContact CB-OE2 3.48Å; R305-E481 VanDerWaalsContact CD-OE1 3.22Å; R305-E481 WeakPolarHBondContact CD-OE1 3.45Å; R305-E481 HydrophobicContact CG-CG 4.46Å; R305-E481 WeakPolarHBondContact CG-OE2 3.01Å; R305-E481 IonicContact CZ-OE1 3.61Å; R305-E481 PolarHBondContact N-OE2 2.87Å; R305-E481 IonicContact NE-OE1 3.56Å; R305-E481 IonicContact NH1-OE1 2.76Å; R305-E481 PolarHBondContact NH1-OE1 2.85Å; H329-E481 IonicContact CD2-OE2 2.66Å; H329-E481 IonicContact CG-OE2 3.42Å; C447-E481 VanDerWaalsContact O-O 3.13Å; R448-E481 PolarHBondContact NH1-O 2.83Å; S479-E481 PolarHBondContact O-N 2.88Å; S479-E481 VanDerWaalsContact O-N 3.12Å; S479-E481 PolarHBondContact OG-N 2.87Å
482	G	91.4	Very high	89.5	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.01	29%	0.285	C	S	.	.	S	Bend	trans	85.6	8.7	-179.7	0	0	0	0	0	115.6	C447 W459 L478 S479 S480 L484	C447-G482 WeakPolarHBondContact CB-O 3.5Å; C447-G482 PolarHBondContact N-O 3.01Å; W459-G482 PolarHBondContact NE1-O 3.07Å; L478-G482 VanDerWaalsContact CD1-C 3.48Å; S479-G482 PolarHBondContact O-N 2.59Å; S480-G482 VanDerWaalsContact C-N 3.33Å; G482-L484 PolarHBondContact O-N 2.87Å
483	T	93.5	Very high	89.4	Confident	14 Å²	14	45.7 Å²	45.7	9%	0.086	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	116.5	178.6	-47	0	0	0	0	111.7	F444 L445 D446 R448 L478 S479	F444-T483 HydrophobicContact CB-CG2 4.33Å; F444-T483 HydrophobicContact CD1-CG2 4.45Å; L445-T483 WeakPolarHBondContact O-CA 2.95Å; D446-T483 WeakPolarHBondContact OD1-CB 3.48Å; D446-T483 WeakPolarHBondContact OD1-CG2 3.25Å; D446-T483 PolarHBondContact OD1-OG1 3.23Å; R448-T483 PolarHBondContact NH1-OG1 2.78Å; R448-T483 PolarHBondContact NH2-OG1 3.24Å; L478-T483 WeakPolarHBondContact CA-O 3.41Å; L478-T483 WeakPolarHBondContact CD1-O 3.46Å; S479-T483 PolarHBondContact N-O 2.83Å; S479-T483 WeakPolarHBondContact OG-CB 3.44Å; S479-T483 PolarHBondContact OG-N 2.82Å; S479-T483 PolarHBondContact OG-OG1 3.49Å
484	L	95.4	Very high	89.3	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	116.8	169.6	-178.6	66.3	0	0	0	110.3	F444 L445 W459 I467 Y476 G482 I486 Y497	F444-L484 CarbonylContact C-O 3.57Å; F444-L484 WeakPolarHBondContact CA-O 3.38Å; L445-L484 HydrophobicContact CB-CB 4.44Å; L445-L484 PolarHBondContact N-O 2.75Å; L445-L484 PolarHBondContact O-N 3.22Å; W459-L484 HydrophobicContact CB-CD2 4.06Å; W459-L484 HydrophobicContact CD2-CB 4Å; W459-L484 HydrophobicContact CD2-CD2 3.91Å; W459-L484 HydrophobicContact CE3-CD2 4.09Å; W459-L484 HydrophobicContact CG-CB 3.93Å; W459-L484 HydrophobicContact CG-CD2 3.93Å; W459-L484 HydrophobicContact CG-CG 4.38Å; W459-L484 HydrophobicContact CZ2-CB 4.4Å; I467-L484 HydrophobicContact CG2-CD1 4.11Å; Y476-L484 HydrophobicContact CD1-CD1 4.23Å; G482-L484 PolarHBondContact O-N 2.87Å; L484-I486 HydrophobicContact CD2-CD1 4Å; L484-I486 HydrophobicContact CD2-CG1 3.95Å; L484-I486 HydrophobicContact CG-CD1 4.49Å; L484-I486 HydrophobicContact CG-CG1 3.92Å; L484-Y497 HydrophobicContact CD2-CD1 3.84Å; L484-Y497 HydrophobicContact CD2-CE1 4.34Å
485	E	95.3	Very high	89.2	Confident	47 Å²	47	36.2 Å²	36.2	22%	0.22	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	129.8	161.5	-178.4	-170.6	152.5	0	0	109.1	T442 V443 F444 Y476 K477 S487	T442-E485 HydrophobicContact CG2-CG 3.75Å; V443-E485 CarbonylContact O-C 3.51Å; V443-E485 WeakPolarHBondContact O-CA 3.47Å; F444-E485 HydrophobicContact CD1-CB 4.09Å; F444-E485 HydrophobicContact CD1-CG 4.21Å; F444-E485 HydrophobicContact CE1-CB 3.97Å; F444-E485 HydrophobicContact CE1-CG 3.68Å; F444-E485 HydrophobicContact CZ-CG 4.3Å; Y476-E485 WeakPolarHBondContact CA-O 3.41Å; K477-E485 HydrophobicContact CB-CB 4.25Å; K477-E485 PolarHBondContact N-O 2.9Å; K477-E485 IonicContact NZ-OE1 2.87Å; K477-E485 PolarHBondContact NZ-OE1 3.1Å; K477-E485 IonicContact NZ-OE2 2.67Å; K477-E485 PolarHBondContact NZ-OE2 2.94Å; K477-E485 PolarHBondContact O-N 3.5Å; E485-S487 PolarHBondContact OE1-OG 3.07Å; E485-S487 VanDerWaalsContact OE1-OG 3.11Å
486	I	94.9	Very high	89	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	104.5	170.2	-48.9	176	0	0	0	107.7	T442 V443 K475 Y476 L484 I489 Y497 I514	T442-I486 CarbonylContact C-O 3.59Å; T442-I486 VanDerWaalsContact CA-O 3.29Å; T442-I486 WeakPolarHBondContact CA-O 3.31Å; V443-I486 HydrophobicContact CB-CB 4.21Å; V443-I486 PolarHBondContact N-O 3.03Å; V443-I486 PolarHBondContact O-N 2.89Å; K475-I486 WeakPolarHBondContact O-CA 3.41Å; Y476-I486 HydrophobicContact CD1-CB 4.49Å; Y476-I486 HydrophobicContact CD1-CG1 4.03Å; Y476-I486 HydrophobicContact CD1-CG2 4.23Å; Y476-I486 HydrophobicContact CE1-CB 4.38Å; Y476-I486 HydrophobicContact CE1-CD1 4.25Å; Y476-I486 HydrophobicContact CE1-CG1 3.95Å; Y476-I486 HydrophobicContact CE1-CG2 3.77Å; L484-I486 HydrophobicContact CD2-CD1 4Å; L484-I486 HydrophobicContact CD2-CG1 3.95Å; L484-I486 HydrophobicContact CG-CD1 4.49Å; L484-I486 HydrophobicContact CG-CG1 3.92Å; I486-I489 HydrophobicContact CG2-CD1 4.46Å; I486-I489 HydrophobicContact CG2-CG1 4.27Å; I486-Y497 HydrophobicContact CD1-CD1 4.09Å; I486-Y497 HydrophobicContact CD1-CD2 4.5Å; I486-Y497 HydrophobicContact CD1-CE1 3.7Å; I486-Y497 HydrophobicContact CD1-CE2 4.14Å; I486-Y497 HydrophobicContact CD1-CG 4.48Å; I486-I514 HydrophobicContact CD1-CD1 3.59Å
487	S	94.4	Very high	89	Confident	18 Å²	18	39 Å²	39	13%	0.126	20%	0.197	C	C	.	.			trans	-82.7	140.6	-175.6	-42.6	0	0	0	0	112	D474 K475 E485 I489	D474-S487 PolarHBondContact O-OG 2.86Å; K475-S487 PolarHBondContact O-N 2.86Å; E485-S487 PolarHBondContact OE1-OG 3.07Å; E485-S487 VanDerWaalsContact OE1-OG 3.11Å; S487-I489 PolarHBondContact O-N 2.83Å
488	N	91.3	Very high	89	Confident	97 Å²	97	36 Å²	36	52%	0.519	19%	0.187	S	C	.	.	S	Bend	trans	52.8	53.7	169.8	-178.3	35.5	0	0	0	113.6	G440 M441 Q490	G440-N488 WeakPolarHBondContact CA-OD1 3.45Å; M441-N488 PolarHBondContact O-N 2.94Å; N488-Q490 PolarHBondContact O-NE2 3.41Å; N488-Q490 PolarHBondContact OD1-NE2 3.15Å; N488-Q490 VanDerWaalsContact OD1-NE2 3.14Å
489	I	90.1	Very high	89.1	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.183	C	C	.	.			trans	-61.1	136.7	-168.4	-157	173.8	0	0	0	113.2	M437 D438 I439 G440 M441 V443 I486 S487 D493 I514 V516	M437-I489 HydrophobicContact CB-CG2 4.2Å; M437-I489 HydrophobicContact CG-CD1 4.47Å; D438-I489 WeakPolarHBondContact O-CG2 3.25Å; I439-I489 WeakPolarHBondContact CA-O 3.36Å; G440-I489 PolarHBondContact N-O 3.16Å; M441-I489 HydrophobicContact CB-CG2 4.24Å; M441-I489 WeakPolarHBondContact O-CB 3.35Å; M441-I489 WeakPolarHBondContact O-CG2 3.33Å; M441-I489 PolarHBondContact O-N 2.79Å; V443-I489 HydrophobicContact CG2-CD1 3.75Å; I486-I489 HydrophobicContact CG2-CD1 4.46Å; I486-I489 HydrophobicContact CG2-CG1 4.27Å; S487-I489 PolarHBondContact O-N 2.83Å; I489-D493 HydrophobicContact CD1-CB 4.16Å; I489-D493 HydrophobicContact CG1-CB 3.6Å; I489-I514 HydrophobicContact CD1-CD1 4.38Å; I489-I514 HydrophobicContact CD1-CG2 3.73Å; I489-V516 HydrophobicContact CD1-CG2 3.74Å; I489-V516 HydrophobicContact CG1-CG2 3.9Å; I489-V516 HydrophobicContact CG2-CG2 4.45Å
490	Q	85.7	Confident	89.2	Confident	58 Å²	58	33.9 Å²	33.9	27%	0.271	17%	0.173	S	C	.	.			trans	-119.2	167.4	-177.7	-59.8	-55.6	-48.6	0	0	111.5	N488 E492 D493 V516	N488-Q490 PolarHBondContact O-NE2 3.41Å; N488-Q490 PolarHBondContact OD1-NE2 3.15Å; N488-Q490 VanDerWaalsContact OD1-NE2 3.14Å; Q490-E492 HydrophobicContact CB-CG 3.58Å; Q490-E492 PolarHBondContact O-N 2.99Å; Q490-E492 VanDerWaalsContact O-N 3.16Å; Q490-D493 PolarHBondContact N-OD2 3.45Å; Q490-D493 WeakPolarHBondContact O-CB 3.25Å; Q490-D493 PolarHBondContact O-N 3Å; Q490-V516 WeakPolarHBondContact O-CG2 3.29Å
491	I	79	Confident	89.7	Confident	72 Å²	72	30.2 Å²	30.2	37%	0.369	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-53.8	-38.4	178.6	-64.7	177.5	0	0	0	111.6	I439 D493 S494 V516 L521	I439-I491 HydrophobicContact CD1-CD1 3.95Å; I439-I491 HydrophobicContact CD1-CG1 3.8Å; I439-I491 HydrophobicContact CG1-CG1 4.24Å; I491-D493 PolarHBondContact O-N 3.49Å; I491-S494 VanDerWaalsContact O-CB 3.3Å; I491-S494 WeakPolarHBondContact O-CB 3.27Å; I491-S494 PolarHBondContact O-N 3.02Å; I491-S494 VanDerWaalsContact O-N 3.09Å; I491-S494 PolarHBondContact O-OG 3.08Å; I491-V516 HydrophobicContact CG1-CG1 4.47Å; I491-L521 HydrophobicContact CG2-CD1 4.29Å; I491-L521 WeakPolarHBondContact O-CD1 3.34Å
492	E	76.8	Confident	90.1	Very high	111 Å²	111	33 Å²	33	52%	0.519	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-60	-19.4	175.4	52.8	172	-136.9	0	0	115.5	K475 Q490	K475-E492 IonicContact NZ-OE1 2.88Å; K475-E492 PolarHBondContact NZ-OE1 2.88Å; Q490-E492 HydrophobicContact CB-CG 3.58Å; Q490-E492 PolarHBondContact O-N 2.99Å; Q490-E492 VanDerWaalsContact O-N 3.16Å
493	D	84.1	Confident	90.3	Very high	7 Å²	7	33.8 Å²	33.8	4%	0.037	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-90.6	-1.4	176.3	-56.8	-64.3	0	0	0	112.9	K475 Y476 I489 Q490 I491 G495 Y497	K475-D493 VanDerWaalsContact CE-OD1 3.24Å; K475-D493 WeakPolarHBondContact CE-OD1 3.25Å; K475-D493 WeakPolarHBondContact CE-OD2 3.46Å; K475-D493 IonicContact NZ-OD1 3.57Å; K475-D493 PolarHBondContact NZ-OD1 2.84Å; K475-D493 IonicContact NZ-OD2 2.63Å; K475-D493 PolarHBondContact NZ-OD2 3.37Å; Y476-D493 PolarHBondContact OH-OD1 2.82Å; Y476-D493 VanDerWaalsContact OH-OD1 3.04Å; I489-D493 HydrophobicContact CD1-CB 4.16Å; I489-D493 HydrophobicContact CG1-CB 3.6Å; Q490-D493 PolarHBondContact N-OD2 3.45Å; Q490-D493 WeakPolarHBondContact O-CB 3.25Å; Q490-D493 PolarHBondContact O-N 3Å; I491-D493 PolarHBondContact O-N 3.49Å; D493-G495 PolarHBondContact O-N 3.37Å; D493-Y497 VanDerWaalsContact O-CE2 3.31Å; D493-Y497 WeakPolarHBondContact O-CE2 3.34Å; D493-Y497 PolarHBondContact O-OH 3.35Å
494	S	84.1	Confident	90.2	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.014	19%	0.191	C	C	.	.			trans	-60.8	139.6	170.7	-54.3	0	0	0	0	110	I491 I514 V516 L521	I491-S494 VanDerWaalsContact O-CB 3.3Å; I491-S494 WeakPolarHBondContact O-CB 3.27Å; I491-S494 PolarHBondContact O-N 3.02Å; I491-S494 VanDerWaalsContact O-N 3.09Å; I491-S494 PolarHBondContact O-OG 3.08Å; S494-I514 WeakPolarHBondContact CA-O 3.49Å; S494-V516 WeakPolarHBondContact OG-CB 3.46Å; S494-V516 PolarHBondContact OG-N 3.19Å; S494-V516 VanDerWaalsContact OG-N 3.09Å; S494-L521 CarbonylContact C-O 3.5Å
495	G	84.1	Confident	90	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	149.6	-156.2	177.4	0	0	0	0	0	113.8	D493 T513 I514 L521	D493-G495 PolarHBondContact O-N 3.37Å; G495-T513 CarbonylContact O-C 3.58Å; G495-T513 WeakPolarHBondContact O-CA 3.39Å; G495-I514 PolarHBondContact N-O 2.03Å; G495-I514 PolarHBondContact O-N 3.43Å; G495-L521 VanDerWaalsContact CA-O 3.25Å; G495-L521 WeakPolarHBondContact CA-O 3.43Å
496	R	86.8	Confident	89.9	Confident	135 Å²	135	42.1 Å²	42.1	51%	0.509	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	113.3	-177.6	-63.6	177.3	67.4	-149.1	-3.2	110.5	V511 T513	R496-V511 HydrophobicContact CB-CG1 3.87Å; R496-V511 HydrophobicContact CG-CG1 4.36Å; R496-T513 HydrophobicContact CG-CG2 4.37Å
497	Y	92.3	Very high	89.7	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	128.4	171.3	-70.8	-98.1	0	0	0	109	V460 T461 P462 Y476 L484 I486 D493 V511 A512 I514	V460-Y497 WeakPolarHBondContact O-CA 3.45Å; T461-Y497 HydrophobicContact CG2-CE1 4.11Å; P462-Y497 HydrophobicContact CG-CD2 3.89Å; P462-Y497 HydrophobicContact CG-CE1 4.37Å; P462-Y497 HydrophobicContact CG-CE2 3.53Å; P462-Y497 HydrophobicContact CG-CG 4.45Å; Y476-Y497 AromaticContact CE1-CE1 3.67Å; Y476-Y497 HydrophobicContact CE1-CE1 3.67Å; Y476-Y497 PolarHBondContact OH-OH 2.61Å; L484-Y497 HydrophobicContact CD2-CD1 3.84Å; L484-Y497 HydrophobicContact CD2-CE1 4.34Å; I486-Y497 HydrophobicContact CD1-CD1 4.09Å; I486-Y497 HydrophobicContact CD1-CD2 4.5Å; I486-Y497 HydrophobicContact CD1-CE1 3.7Å; I486-Y497 HydrophobicContact CD1-CE2 4.14Å; I486-Y497 HydrophobicContact CD1-CG 4.48Å; D493-Y497 VanDerWaalsContact O-CE2 3.31Å; D493-Y497 WeakPolarHBondContact O-CE2 3.34Å; D493-Y497 PolarHBondContact O-OH 3.35Å; Y497-V511 CarbonylContact O-C 3.54Å; Y497-V511 WeakPolarHBondContact O-CA 3.4Å; Y497-A512 PolarHBondContact N-O 2.82Å; Y497-A512 PolarHBondContact O-N 3.42Å; Y497-I514 HydrophobicContact CD2-CB 4.46Å; Y497-I514 HydrophobicContact CD2-CD1 3.6Å; Y497-I514 HydrophobicContact CD2-CG1 3.85Å; Y497-I514 HydrophobicContact CE2-CB 4.39Å; Y497-I514 HydrophobicContact CE2-CD1 3.63Å; Y497-I514 HydrophobicContact CE2-CG1 4.12Å; Y497-I514 HydrophobicContact CG-CD1 4.41Å
498	T	93.3	Very high	89.6	Confident	34 Å²	34	46.1 Å²	46.1	21%	0.209	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	117.2	-179.6	-53	0	0	0	0	109.8	W459 V460 V500 R510 V511	W459-T498 CarbonylContact C-O 3.14Å; W459-T498 WeakPolarHBondContact CA-O 3.14Å; W459-T498 VanDerWaalsContact CE3-C 3.46Å; V460-T498 PolarHBondContact N-O 2.92Å; V460-T498 PolarHBondContact O-N 3.44Å; T498-V500 HydrophobicContact CG2-CG2 4.21Å; T498-R510 CarbonylContact C-O 3.57Å; T498-R510 WeakPolarHBondContact CA-O 3.42Å; T498-V511 HydrophobicContact CG2-CG2 4.03Å
499	C	95.9	Very high	89.7	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	138	162.5	-179	0	0	0	0	108.8	I426 F431 C447 W459 T509 R510	I426-C499 HydrophobicContact CD1-CB 4.23Å; F431-C499 HydrophobicContact CE1-CB 3.95Å; F431-C499 HydrophobicContact CZ-CB 4.13Å; C447-C499 HydrophobicContact CB-CB 3.82Å; C447-C499 WeakPolarHBondContact CB-SG 3.46Å; C447-C499 WeakPolarHBondContact SG-CB 3.48Å; C447-C499 CovalentContact SG-SG 2.03Å; C447-C499 PolarHBondContact SG-SG 2.9Å; W459-C499 HydrophobicContact CD2-CB 3.89Å; W459-C499 HydrophobicContact CE3-CB 3.98Å; W459-C499 VanDerWaalsContact CE3-N 3.32Å; W459-C499 HydrophobicContact CH2-CB 3.86Å; W459-C499 HydrophobicContact CZ2-CB 3.76Å; W459-C499 HydrophobicContact CZ3-CB 3.95Å; C499-T509 VanDerWaalsContact O-CA 3.28Å; C499-T509 WeakPolarHBondContact O-CA 3.37Å; C499-R510 PolarHBondContact N-O 2.86Å; C499-R510 PolarHBondContact O-N 2.99Å
500	V	94.8	Very high	89.7	Confident	12 Å²	12	46.7 Å²	46.7	7%	0.073	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	130	170.4	-175.4	0	0	0	0	108.1	I457 Y458 V460 T498 Q502 A507 D508 T509	I457-V500 WeakPolarHBondContact CA-O 3.45Å; Y458-V500 HydrophobicContact CD1-CB 4.33Å; Y458-V500 HydrophobicContact CD2-CB 3.97Å; Y458-V500 HydrophobicContact CD2-CG2 4.22Å; Y458-V500 HydrophobicContact CE1-CB 3.97Å; Y458-V500 HydrophobicContact CE1-CG1 3.84Å; Y458-V500 HydrophobicContact CE2-CB 3.58Å; Y458-V500 HydrophobicContact CE2-CG1 4.08Å; Y458-V500 HydrophobicContact CE2-CG2 3.64Å; Y458-V500 HydrophobicContact CG-CB 4.35Å; Y458-V500 PolarHBondContact N-O 2.9Å; Y458-V500 PolarHBondContact O-N 2.94Å; V460-V500 HydrophobicContact CG2-CG2 4.33Å; T498-V500 HydrophobicContact CG2-CG2 4.21Å; V500-Q502 HydrophobicContact CG1-CB 4.49Å; V500-A507 HydrophobicContact CG1-CB 4.11Å; V500-D508 WeakPolarHBondContact CA-O 3.42Å; V500-T509 HydrophobicContact CB-CG2 4.42Å; V500-T509 HydrophobicContact CG1-CG2 4.12Å; V500-T509 HydrophobicContact CG2-CG2 3.97Å
501	A	96	Very high	89.9	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	117.1	171	0	0	0	0	0	108.3	P424 I426 A449 P455 E456 I457 A507 D508	P424-A501 HydrophobicContact CB-CB 4.12Å; P424-A501 WeakPolarHBondContact CB-O 3.24Å; P424-A501 WeakPolarHBondContact CG-O 3.38Å; I426-A501 HydrophobicContact CD1-CB 4.21Å; I426-A501 HydrophobicContact CG1-CB 3.78Å; A449-A501 HydrophobicContact CB-CB 3.51Å; P455-A501 HydrophobicContact CB-CB 4.17Å; P455-A501 HydrophobicContact CG-CB 4.33Å; E456-A501 WeakPolarHBondContact O-CA 3.38Å; I457-A501 HydrophobicContact CG1-CB 4.26Å; A501-A507 CarbonylContact O-C 3.56Å; A501-A507 WeakPolarHBondContact O-CA 3.27Å; A501-D508 PolarHBondContact N-O 3.35Å; A501-D508 PolarHBondContact O-N 2.98Å
502	Q	94.1	Very high	90.5	Very high	84 Å²	84	42.2 Å²	42.2	39%	0.393	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	133.9	-169.2	179.6	171	1	0	0	112.1	P455 E456 Y458 V500 G506 A507	P455-Q502 CarbonylContact C-O 3.59Å; P455-Q502 VanDerWaalsContact CA-O 3.27Å; P455-Q502 WeakPolarHBondContact CA-O 3.39Å; E456-Q502 PolarHBondContact N-O 3.48Å; E456-Q502 PolarHBondContact O-N 2.98Å; Y458-Q502 HydrophobicContact CE1-CB 4.37Å; Y458-Q502 PolarHBondContact OH-OE1 2.66Å; V500-Q502 HydrophobicContact CG1-CB 4.49Å; Q502-G506 WeakPolarHBondContact CA-O 3.46Å; Q502-A507 HydrophobicContact CB-CB 3.86Å; Q502-A507 HydrophobicContact CG-CB 4.03Å
503	N	94.1	Very high	91.2	Very high	18 Å²	18	37.8 Å²	37.8	10%	0.096	21%	0.208	C	C	.	.			trans	-132.1	-169.3	168	77.8	4.8	0	0	0	110.8	C422 P424 A451 E452 P453 P455 Q505 G506	C422-N503 PolarHBondContact O-ND2 2.89Å; P424-N503 WeakPolarHBondContact CD-OD1 3.46Å; P424-N503 HydrophobicContact CG-CB 4.21Å; A451-N503 WeakPolarHBondContact CB-ND2 3.28Å; E452-N503 PolarHBondContact O-ND2 2.93Å; P453-N503 WeakPolarHBondContact O-CB 3.39Å; P453-N503 PolarHBondContact O-ND2 3.5Å; P455-N503 HydrophobicContact CB-CB 4.44Å; N503-Q505 PolarHBondContact O-N 3.14Å; N503-Q505 WeakPolarHBondContact OD1-CB 3.47Å; N503-Q505 PolarHBondContact OD1-N 3.25Å; N503-G506 PolarHBondContact N-O 2.91Å; N503-G506 PolarHBondContact O-N 2.86Å; N503-G506 VanDerWaalsContact O-O 3.13Å; N503-G506 PolarHBondContact OD1-N 2.76Å
504	V	92.1	Very high	91.5	Very high	110 Å²	110	37.5 Å²	37.5	67%	0.667	21%	0.206	S	C	*	.	S	Bend	trans	-68	-17.4	-178	-62.8	0	0	0	0	114.7	Q421 P453	Q421-V504 VanDerWaalsContact OE1-CG2 3.27Å; P453-V504 HydrophobicContact CG-CG2 4.03Å
505	Q	92	Very high	91.6	Very high	99 Å²	99	40.7 Å²	40.7	46%	0.463	22%	0.22	S	C	.	.	S	Bend	trans	-90.3	-24.6	178.3	-61.8	-60.2	-33.9	0	0	112.4	Q421 L423 N503	Q421-Q505 HydrophobicContact CB-CG 3.84Å; L423-Q505 HydrophobicContact CD2-CB 4.12Å; L423-Q505 WeakPolarHBondContact CD2-O 3.05Å; N503-Q505 PolarHBondContact O-N 3.14Å; N503-Q505 WeakPolarHBondContact OD1-CB 3.47Å; N503-Q505 PolarHBondContact OD1-N 3.25Å
506	G	91.6	Very high	91.8	Very high	27 Å²	27	40.7 Å²	40.7	28%	0.278	22%	0.22	S	C	.	.			trans	158.7	-158.3	180	0	0	0	0	0	112.8	Q502 N503	Q502-G506 WeakPolarHBondContact CA-O 3.46Å; N503-G506 PolarHBondContact N-O 2.91Å; N503-G506 PolarHBondContact O-N 2.86Å; N503-G506 VanDerWaalsContact O-O 3.13Å; N503-G506 PolarHBondContact OD1-N 2.76Å
507	A	92.4	Very high	91.4	Very high	54 Å²	54	39 Å²	39	45%	0.446	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	151.4	178.6	0	0	0	0	0	112.1	V500 A501 Q502	V500-A507 HydrophobicContact CG1-CB 4.11Å; A501-A507 CarbonylContact O-C 3.56Å; A501-A507 WeakPolarHBondContact O-CA 3.27Å; Q502-A507 HydrophobicContact CB-CB 3.86Å; Q502-A507 HydrophobicContact CG-CB 4.03Å
508	D	92.1	Very high	90.1	Very high	48 Å²	48	41.6 Å²	41.6	26%	0.257	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	153.6	166.9	-178.9	32.7	0	0	0	110.1	P424 M425 I426 V500 A501	P424-D508 HydrophobicContact CB-CB 4.38Å; P424-D508 WeakPolarHBondContact O-CB 3.33Å; M425-D508 WeakPolarHBondContact CA-OD2 3.3Å; I426-D508 HydrophobicContact CG1-CB 4.49Å; I426-D508 PolarHBondContact N-OD2 3.09Å; V500-D508 WeakPolarHBondContact CA-O 3.42Å; A501-D508 PolarHBondContact N-O 3.35Å; A501-D508 PolarHBondContact O-N 2.98Å
509	T	92.6	Very high	88.6	Confident	77 Å²	77	42.5 Å²	42.5	47%	0.472	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	133.5	-173.9	70.1	0	0	0	0	112.4	C499 V500	C499-T509 VanDerWaalsContact O-CA 3.28Å; C499-T509 WeakPolarHBondContact O-CA 3.37Å; V500-T509 HydrophobicContact CB-CG2 4.42Å; V500-T509 HydrophobicContact CG1-CG2 4.12Å; V500-T509 HydrophobicContact CG2-CG2 3.97Å
510	R	90.6	Very high	86.8	Confident	33 Å²	33	46.3 Å²	46.3	13%	0.125	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	146.4	174.2	-74	-163.7	63.6	-141.7	-4	111.8	I426 S427 H428 F431 N433 T498 C499	I426-R510 HydrophobicContact CB-CB 4.49Å; I426-R510 HydrophobicContact CB-CG 4Å; I426-R510 HydrophobicContact CD1-CB 4.1Å; I426-R510 HydrophobicContact CD1-CG 4.21Å; I426-R510 HydrophobicContact CG2-CB 4.21Å; I426-R510 HydrophobicContact CG2-CG 4.11Å; S427-R510 PolarHBondContact O-NH1 2.66Å; H428-R510 PolarHBondContact O-NH1 2.97Å; H428-R510 PolarHBondContact O-NH2 3.37Å; F431-R510 HydrophobicContact CE2-CB 4.23Å; F431-R510 HydrophobicContact CZ-CB 3.69Å; N433-R510 PolarHBondContact OD1-NH2 2.77Å; T498-R510 CarbonylContact C-O 3.57Å; T498-R510 WeakPolarHBondContact CA-O 3.42Å; C499-R510 PolarHBondContact N-O 2.86Å; C499-R510 PolarHBondContact O-N 2.99Å
511	V	89.5	Confident	85	Confident	35 Å²	35	49.8 Å²	49.8	21%	0.212	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	120.4	-168.2	-172.5	0	0	0	0	111.8	R496 Y497 T498	R496-V511 HydrophobicContact CB-CG1 3.87Å; R496-V511 HydrophobicContact CG-CG1 4.36Å; Y497-V511 CarbonylContact O-C 3.54Å; Y497-V511 WeakPolarHBondContact O-CA 3.4Å; T498-V511 HydrophobicContact CG2-CG2 4.03Å
512	A	92.1	Very high	82.7	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	129	166.7	0	0	0	0	0	109.6	F431 L435 L445 W459 Y497	F431-A512 HydrophobicContact CD2-CB 3.93Å; F431-A512 HydrophobicContact CE2-CB 3.93Å; L435-A512 HydrophobicContact CD1-CB 4.18Å; L445-A512 HydrophobicContact CD1-CB 3.8Å; L445-A512 HydrophobicContact CD2-CB 4.24Å; W459-A512 HydrophobicContact CZ3-CB 4.5Å; Y497-A512 PolarHBondContact N-O 2.82Å; Y497-A512 PolarHBondContact O-N 3.42Å
513	T	89.9	Confident	80.4	Confident	19 Å²	19	51.6 Å²	51.6	12%	0.117	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	109.7	174	-49.2	0	0	0	0	109.6	N433 R434 L435 G495 R496 L520	N433-T513 PolarHBondContact O-N 2.65Å; N433-T513 PolarHBondContact O-OG1 2.67Å; R434-T513 CarbonylContact C-O 3.25Å; R434-T513 VanDerWaalsContact CA-O 3.31Å; R434-T513 WeakPolarHBondContact CA-O 3.29Å; L435-T513 PolarHBondContact N-O 3.23Å; G495-T513 CarbonylContact O-C 3.58Å; G495-T513 WeakPolarHBondContact O-CA 3.39Å; R496-T513 HydrophobicContact CG-CG2 4.37Å; T513-L520 HydrophobicContact CG2-CD1 3.76Å; T513-L520 HydrophobicContact CG2-CD2 4.49Å
514	I	90.9	Very high	78.2	Confident	0 Å²	0	55 Å²	55	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	131.3	176.9	-50.2	-177.5	0	0	0	109.4	L435 M437 V443 L445 I486 I489 S494 G495 Y497 V516	L435-I514 HydrophobicContact CD1-CG1 4.5Å; M437-I514 HydrophobicContact CB-CG2 4.46Å; M437-I514 HydrophobicContact CG-CG2 3.81Å; V443-I514 HydrophobicContact CG1-CD1 4.33Å; L445-I514 HydrophobicContact CD1-CD1 4.26Å; I486-I514 HydrophobicContact CD1-CD1 3.59Å; I489-I514 HydrophobicContact CD1-CD1 4.38Å; I489-I514 HydrophobicContact CD1-CG2 3.73Å; S494-I514 WeakPolarHBondContact CA-O 3.49Å; G495-I514 PolarHBondContact N-O 2.03Å; G495-I514 PolarHBondContact O-N 3.43Å; Y497-I514 HydrophobicContact CD2-CB 4.46Å; Y497-I514 HydrophobicContact CD2-CD1 3.6Å; Y497-I514 HydrophobicContact CD2-CG1 3.85Å; Y497-I514 HydrophobicContact CE2-CB 4.39Å; Y497-I514 HydrophobicContact CE2-CD1 3.63Å; Y497-I514 HydrophobicContact CE2-CG1 4.12Å; Y497-I514 HydrophobicContact CG-CD1 4.41Å; I514-V516 HydrophobicContact CG2-CG2 4.29Å
515	K	86.6	Confident	76.4	Confident	69 Å²	69	56.7 Å²	56.7	30%	0.3	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	125.7	169.3	-70.7	-172.1	172.1	-166.8	0	109.9	L435 N436 M437 T519 L520	L435-K515 PolarHBondContact O-N 3.11Å; N436-K515 CarbonylContact C-O 3.59Å; N436-K515 WeakPolarHBondContact CA-O 3.4Å; M437-K515 PolarHBondContact N-O 3.26Å; K515-T519 WeakPolarHBondContact CA-O 3.28Å; K515-T519 VanDerWaalsContact CB-O 3.24Å; K515-T519 WeakPolarHBondContact CB-O 3.43Å; K515-T519 WeakPolarHBondContact CG-O 3.33Å; K515-L520 HydrophobicContact CG-CB 4.27Å; K515-L520 HydrophobicContact CG-CD1 4.21Å
516	V	87.5	Confident	74.9	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	127.9	176.1	-173.8	0	0	0	0	110	M437 I439 I489 Q490 I491 S494 I514 G518 T519	M437-V516 CarbonylContact O-C 3.56Å; M437-V516 VanDerWaalsContact O-CA 3.32Å; M437-V516 WeakPolarHBondContact O-CA 3.44Å; I439-V516 HydrophobicContact CG1-CG1 3.68Å; I489-V516 HydrophobicContact CD1-CG2 3.74Å; I489-V516 HydrophobicContact CG1-CG2 3.9Å; I489-V516 HydrophobicContact CG2-CG2 4.45Å; Q490-V516 WeakPolarHBondContact O-CG2 3.29Å; I491-V516 HydrophobicContact CG1-CG1 4.47Å; S494-V516 WeakPolarHBondContact OG-CB 3.46Å; S494-V516 PolarHBondContact OG-N 3.19Å; S494-V516 VanDerWaalsContact OG-N 3.09Å; I514-V516 HydrophobicContact CG2-CG2 4.29Å; V516-G518 PolarHBondContact O-N 2.98Å; V516-T519 PolarHBondContact N-O 3.47Å; V516-T519 PolarHBondContact O-N 3.05Å; V516-T519 PolarHBondContact O-OG1 2.85Å
517	N	78.1	Confident	73.9	Confident	100 Å²	100	52.5 Å²	52.5	54%	0.535	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	45.4	-175.5	-166.7	8	0	0	0	112.6	M437 I439 T519	M437-N517 PolarHBondContact O-N 2.91Å; I439-N517 HydrophobicContact CD1-CB 4.36Å; I439-N517 HydrophobicContact CG1-CB 4.42Å; N517-T519 PolarHBondContact O-N 3.2Å
518	G	66.2	Low	73.1	Confident	54 Å²	54	56.9 Å²	56.9	56%	0.557	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	-14.5	-177.8	0	0	0	0	0	116.4	V516	V516-G518 PolarHBondContact O-N 2.98Å
519	T	62.2	Low	72.8	Confident	54 Å²	54	55 Å²	55	33%	0.331	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-76	154.1	180	70.1	0	0	0	0	112.2	K515 V516 N517	K515-T519 WeakPolarHBondContact CA-O 3.28Å; K515-T519 VanDerWaalsContact CB-O 3.24Å; K515-T519 WeakPolarHBondContact CB-O 3.43Å; K515-T519 WeakPolarHBondContact CG-O 3.33Å; V516-T519 PolarHBondContact N-O 3.47Å; V516-T519 PolarHBondContact O-N 3.05Å; V516-T519 PolarHBondContact O-OG1 2.85Å; N517-T519 PolarHBondContact O-N 3.2Å
520	L	57.9	Low	72.5	Confident	79 Å²	79	55.1 Å²	55.1	41%	0.414	30%	0.301	S	S	.	.			trans	-130.8	110.8	167.6	-177.5	68.2	0	0	0	107.4	T513 K515	T513-L520 HydrophobicContact CG2-CD1 3.76Å; T513-L520 HydrophobicContact CG2-CD2 4.49Å; K515-L520 HydrophobicContact CG-CB 4.27Å; K515-L520 HydrophobicContact CG-CD1 4.21Å
521	L	55.7	Low	72.3	Confident	85 Å²	85	55.9 Å²	55.9	45%	0.445	31%	0.309	S	S	.	.			trans	-86.6	118.1	164.8	-62	179.4	0	0	0	107.1	I491 S494 G495	I491-L521 HydrophobicContact CG2-CD1 4.29Å; I491-L521 WeakPolarHBondContact O-CD1 3.34Å; S494-L521 CarbonylContact C-O 3.5Å; G495-L521 VanDerWaalsContact CA-O 3.25Å; G495-L521 WeakPolarHBondContact CA-O 3.43Å
522	D	48	Very low	72.1	Confident	85 Å²	85	59.6 Å²	59.6	46%	0.455	32%	0.322	S	S	.	.			trans	-89.1	134	167.9	-155.9	35.5	0	0	0	107.1	T524	D522-T524 PolarHBondContact O-N 3.16Å
523	G	46.7	Very low	71.8	Confident	38 Å²	38	64.1 Å²	64.1	39%	0.392	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	12.2	-168.7	0	0	0	0	0	116
524	T	48.6	Very low	71.6	Confident	89 Å²	89	64.7 Å²	64.7	55%	0.546	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-16.6	-170.6	54	0	0	0	0	113.8	D522	D522-T524 PolarHBondContact O-N 3.16Å
525	Q	53.2	Low	71.5	Confident	145 Å²	145	68.5 Å²	68.5	68%	0.678	37%	0.365	S	S	*	.			trans	-102.3	72.5	-178.4	-65.4	-167.5	3.4	0	0	113.1	L527	Q525-L527 VanDerWaalsContact C-N 3.32Å
526	V	60.6	Low	71.5	Confident	34 Å²	34	66.9 Å²	66.9	21%	0.206	36%	0.363	C	S	.	.			trans	-79.5	-20.4	171.3	-168.3	0	0	0	0	111.2	V545 N546 V549	V526-V545 HydrophobicContact CG1-CG1 4.03Å; V526-V545 CarbonylContact O-C 3.48Å; V526-V545 WeakPolarHBondContact O-CA 3.49Å; V526-N546 PolarHBondContact O-N 3.14Å; V526-V549 HydrophobicContact CG1-CG2 4.04Å
527	L	70.2	Confident	71.4	Confident	4 Å²	4	71.4 Å²	71.4	2%	0.021	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124.8	178.6	178.3	68.9	0	0	0	112.1	Q525 W543 V545 L596 V598 S608	Q525-L527 VanDerWaalsContact C-N 3.32Å; L527-W543 HydrophobicContact CD1-CB 3.92Å; L527-W543 HydrophobicContact CD1-CG 4.08Å; L527-V545 HydrophobicContact CD1-CG2 4.2Å; L527-L596 HydrophobicContact CD1-CD2 4.22Å; L527-L596 HydrophobicContact CD2-CB 4.5Å; L527-L596 HydrophobicContact CD2-CD2 3.95Å; L527-L596 HydrophobicContact CD2-CG 3.98Å; L527-V598 HydrophobicContact CD2-CG1 3.98Å; L527-V598 HydrophobicContact CD2-CG2 3.89Å; L527-S608 VanDerWaalsContact O-CB 3.3Å; L527-S608 WeakPolarHBondContact O-CB 3.45Å; L527-S608 PolarHBondContact O-OG 2.82Å
528	K	76.2	Confident	71.8	Confident	146 Å²	146	67 Å²	67	64%	0.635	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.7	114.1	171.8	-167.3	165.6	-174	169.4	0	112.2	W543 K544 S608	K528-W543 WeakPolarHBondContact O-CA 3.39Å; K528-K544 PolarHBondContact N-O 2.83Å; K528-K544 PolarHBondContact O-N 2.78Å; K528-S608 WeakPolarHBondContact CA-OG 3.16Å
529	I	85.7	Confident	72.9	Confident	9 Å²	9	64.5 Å²	64.5	5%	0.046	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	147.9	170.2	-168.6	171	0	0	0	111.1	V541 W543 M561 V594 L596 S608 V610	I529-V541 HydrophobicContact CD1-CB 4.01Å; I529-V541 HydrophobicContact CD1-CG1 4.3Å; I529-V541 HydrophobicContact CD1-CG2 4.14Å; I529-V541 HydrophobicContact CG1-CB 4.18Å; I529-W543 HydrophobicContact CB-CB 4.47Å; I529-M561 HydrophobicContact CD1-CE 4.03Å; I529-M561 HydrophobicContact CD1-SD 3.86Å; I529-V594 HydrophobicContact CD1-CG1 4.01Å; I529-L596 HydrophobicContact CD1-CB 4.04Å; I529-S608 PolarHBondContact N-OG 3.02Å; I529-V610 HydrophobicContact CD1-CG1 4.25Å; I529-V610 HydrophobicContact CG1-CG1 4.17Å; I529-V610 HydrophobicContact CG2-CB 4.09Å; I529-V610 HydrophobicContact CG2-CG1 3.93Å
530	Y	85.2	Confident	74.2	Confident	80 Å²	80	63.6 Å²	63.6	31%	0.314	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	155.5	172	50.8	-92.5	0	0	0	110.7	V541 S542 K544	Y530-V541 WeakPolarHBondContact O-CA 3.4Å; Y530-S542 VanDerWaalsContact CE2-CB 3.44Å; Y530-S542 WeakPolarHBondContact CE2-OG 3.23Å; Y530-S542 PolarHBondContact N-O 3.3Å; Y530-S542 PolarHBondContact O-N 2.58Å; Y530-S542 PolarHBondContact OH-OG 2.88Å; Y530-K544 HydrophobicContact CE1-CB 4.17Å; Y530-K544 HydrophobicContact CE1-CD 3.96Å; Y530-K544 HydrophobicContact CE1-CG 3.81Å; Y530-K544 WeakPolarHBondContact OH-CE 3.49Å
531	V	87	Confident	75.7	Confident	48 Å²	48	59.8 Å²	59.8	29%	0.291	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	130.5	174.7	-177	0	0	0	0	108.8	T534 I539 V541 V610 V612	V531-T534 HydrophobicContact CG1-CG2 3.63Å; V531-I539 HydrophobicContact CG1-CG2 3.98Å; V531-V541 HydrophobicContact CG2-CG1 4.31Å; V531-V610 HydrophobicContact CG2-CG1 4.05Å; V531-V610 HydrophobicContact CG2-CG2 3.99Å; V531-V612 HydrophobicContact CG1-CG2 4.06Å; V531-V612 HydrophobicContact CG2-CB 3.84Å; V531-V612 HydrophobicContact CG2-CG1 4.34Å; V531-V612 HydrophobicContact CG2-CG2 3.77Å
532	K	85.7	Confident	77.2	Confident	113 Å²	113	55.9 Å²	55.9	49%	0.491	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	-38	178.2	-176.7	174.9	172.8	-176.8	0	112	L540 E580	K532-L540 HydrophobicContact CB-CD2 4.28Å; K532-L540 HydrophobicContact CB-CG 4.23Å; K532-L540 HydrophobicContact CD-CD2 3.83Å; K532-L540 HydrophobicContact CD-CG 4.42Å; K532-L540 HydrophobicContact CG-CD2 4.14Å; K532-L540 PolarHBondContact N-O 2.93Å; K532-E580 WeakPolarHBondContact CD-OE1 3.46Å; K532-E580 WeakPolarHBondContact CD-OE2 3.37Å; K532-E580 IonicContact NZ-OE1 3.83Å; K532-E580 PolarHBondContact NZ-OE1 3.01Å; K532-E580 IonicContact NZ-OE2 2.71Å; K532-E580 PolarHBondContact NZ-OE2 3.23Å
533	Q	85.3	Confident	78.9	Confident	96 Å²	96	52.5 Å²	52.5	45%	0.449	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	139.6	177.5	174.4	166.6	-27.6	0	0	110.4	E535 L540	Q533-E535 HydrophobicContact CG-CG 4.26Å; Q533-E535 PolarHBondContact NE2-OE1 2.88Å; Q533-L540 HydrophobicContact CB-CB 4.08Å; Q533-L540 HydrophobicContact CB-CD2 4.49Å; Q533-L540 PolarHBondContact N-O 3.21Å; Q533-L540 PolarHBondContact O-N 2.83Å
534	T	87.2	Confident	80.2	Confident	30 Å²	30	57.3 Å²	57.3	18%	0.184	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	142.6	170	57	0	0	0	0	110.4	V531 I539 V612 K615	V531-T534 HydrophobicContact CG1-CG2 3.63Å; T534-I539 HydrophobicContact CG2-CG1 4.47Å; T534-I539 HydrophobicContact CG2-CG2 4.42Å; T534-V612 HydrophobicContact CG2-CG2 3.5Å; T534-V612 VanDerWaalsContact CG2-CG2 3.5Å; T534-K615 WeakPolarHBondContact O-CD 3.46Å; T534-K615 WeakPolarHBondContact O-CE 3.44Å; T534-K615 PolarHBondContact O-NZ 2.99Å; T534-K615 WeakPolarHBondContact OG1-CE 3.34Å
535	E	88.7	Confident	81.1	Confident	80 Å²	80	55.4 Å²	55.4	37%	0.374	27%	0.266	S	S	.	.			trans	-131.6	-172	176.7	-57.4	-174.2	160.2	0	0	109.7	Q533 S538 K615	Q533-E535 HydrophobicContact CG-CG 4.26Å; Q533-E535 PolarHBondContact NE2-OE1 2.88Å; E535-S538 WeakPolarHBondContact CB-OG 3.49Å; E535-S538 WeakPolarHBondContact CG-OG 3.42Å; E535-S538 PolarHBondContact N-O 2.97Å; E535-S538 PolarHBondContact OE2-OG 2.87Å; E535-K615 PolarHBondContact O-N 2.84Å
536	S	84.8	Confident	81.3	Confident	36 Å²	36	54 Å²	54	25%	0.252	26%	0.263	S	S	.	.	S	Bend	trans	-75.8	-28.9	179	54.8	0	0	0	0	113.8	P588 K615	S536-P588 WeakPolarHBondContact O-CA 3.43Å; S536-P588 WeakPolarHBondContact O-CG 3.38Å; S536-K615 WeakPolarHBondContact CA-O 3.01Å
537	H	85.7	Confident	80.7	Confident	95 Å²	95	56.4 Å²	56.4	44%	0.44	28%	0.282	S	S	.	.	S	Bend	trans	-133.3	8	-179.2	-57.4	85.5	0	0	0	113.1	T584 H585 L586 P588	H537-T584 CarbonylContact O-C 3.59Å; H537-H585 PolarHBondContact O-N 2.99Å; H537-H585 VanDerWaalsContact O-N 3.13Å; H537-L586 WeakPolarHBondContact CA-O 3.47Å; H537-L586 PolarHBondContact CD2-O 3.12Å; H537-L586 VanDerWaalsContact CD2-O 3.3Å; H537-L586 PolarHBondContact O-N 3.13Å; H537-L586 VanDerWaalsContact O-N 3.12Å; H537-P588 WeakPolarHBondContact NE2-CG 3.44Å
538	S	88	Confident	79.6	Confident	8 Å²	8	62.2 Å²	62.2	6%	0.056	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	154.1	-179	95.4	0	0	0	0	113	E535 L583	E535-S538 WeakPolarHBondContact CB-OG 3.49Å; E535-S538 WeakPolarHBondContact CG-OG 3.42Å; E535-S538 PolarHBondContact N-O 2.97Å; E535-S538 PolarHBondContact OE2-OG 2.87Å; S538-L583 CarbonylContact C-O 3.57Å; S538-L583 WeakPolarHBondContact CA-O 3.18Å; S538-L583 WeakPolarHBondContact CB-O 3.31Å
539	I	88.8	Confident	78.2	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	115.7	172.6	-59.5	173.8	0	0	0	108.4	V531 T534 V541 L583 L586 Y592 V612 T614	V531-I539 HydrophobicContact CG1-CG2 3.98Å; T534-I539 HydrophobicContact CG2-CG1 4.47Å; T534-I539 HydrophobicContact CG2-CG2 4.42Å; I539-V541 HydrophobicContact CG2-CG1 3.98Å; I539-L583 HydrophobicContact CB-CB 4.44Å; I539-L583 HydrophobicContact CB-CD1 4.49Å; I539-L583 PolarHBondContact N-O 2.92Å; I539-L583 WeakPolarHBondContact O-CB 3.26Å; I539-L583 PolarHBondContact O-N 2.85Å; I539-L586 HydrophobicContact CB-CD1 4.07Å; I539-L586 HydrophobicContact CD1-CD1 3.57Å; I539-L586 HydrophobicContact CG1-CD1 3.61Å; I539-Y592 HydrophobicContact CD1-CD2 4.4Å; I539-V612 HydrophobicContact CD1-CB 4.31Å; I539-V612 HydrophobicContact CD1-CG1 3.65Å; I539-V612 HydrophobicContact CD1-CG2 3.77Å; I539-V612 HydrophobicContact CG1-CG2 4.4Å; I539-V612 HydrophobicContact CG2-CG1 4.37Å; I539-V612 HydrophobicContact CG2-CG2 4.07Å; I539-T614 HydrophobicContact CD1-CG2 3.88Å; I539-T614 HydrophobicContact CG1-CG2 4.05Å
540	L	88.9	Confident	75.8	Confident	35 Å²	35	66.3 Å²	66.3	18%	0.183	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	110.8	170.3	-176.5	64.7	0	0	0	109.1	K532 Q533 E580 N582	K532-L540 HydrophobicContact CB-CD2 4.28Å; K532-L540 HydrophobicContact CB-CG 4.23Å; K532-L540 HydrophobicContact CD-CD2 3.83Å; K532-L540 HydrophobicContact CD-CG 4.42Å; K532-L540 HydrophobicContact CG-CD2 4.14Å; K532-L540 PolarHBondContact N-O 2.93Å; Q533-L540 HydrophobicContact CB-CB 4.08Å; Q533-L540 HydrophobicContact CB-CD2 4.49Å; Q533-L540 PolarHBondContact N-O 3.21Å; Q533-L540 PolarHBondContact O-N 2.83Å; L540-E580 HydrophobicContact CD1-CB 4.21Å; L540-N582 HydrophobicContact CD1-CB 4.08Å
541	V	89.5	Confident	73.6	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	150	170.2	-69	0	0	0	0	110.8	I529 Y530 V531 I539 M561 E580 Y581 L583 V594	I529-V541 HydrophobicContact CD1-CB 4.01Å; I529-V541 HydrophobicContact CD1-CG1 4.3Å; I529-V541 HydrophobicContact CD1-CG2 4.14Å; I529-V541 HydrophobicContact CG1-CB 4.18Å; Y530-V541 WeakPolarHBondContact O-CA 3.4Å; V531-V541 HydrophobicContact CG2-CG1 4.31Å; I539-V541 HydrophobicContact CG2-CG1 3.98Å; V541-M561 HydrophobicContact CG2-CE 3.63Å; V541-M561 HydrophobicContact CG2-SD 4.48Å; V541-E580 CarbonylContact O-C 3.18Å; V541-E580 VanDerWaalsContact O-CA 3.28Å; V541-E580 WeakPolarHBondContact O-CA 3.23Å; V541-Y581 WeakPolarHBondContact CG2-O 3.22Å; V541-Y581 PolarHBondContact N-O 3.45Å; V541-Y581 PolarHBondContact O-N 3.3Å; V541-L583 HydrophobicContact CG1-CD1 4.39Å; V541-L583 HydrophobicContact CG2-CD1 4.23Å; V541-L583 HydrophobicContact CG2-CG 4.45Å; V541-V594 HydrophobicContact CG1-CG1 4.09Å; V541-V594 HydrophobicContact CG2-CG1 4.4Å
542	S	86.8	Confident	71.4	Confident	2 Å²	2	70.1 Å²	70.1	1%	0.014	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	156.6	175.3	172.1	0	0	0	0	109	Y530 H579	Y530-S542 VanDerWaalsContact CE2-CB 3.44Å; Y530-S542 WeakPolarHBondContact CE2-OG 3.23Å; Y530-S542 PolarHBondContact N-O 3.3Å; Y530-S542 PolarHBondContact O-N 2.58Å; Y530-S542 PolarHBondContact OH-OG 2.88Å; S542-H579 VanDerWaalsContact CA-O 3.31Å; S542-H579 WeakPolarHBondContact CA-O 3.08Å; S542-H579 WeakPolarHBondContact CB-O 3.33Å; S542-H579 PolarHBondContact OG-O 3.28Å
543	W	84.9	Confident	69.5	Low	14 Å²	14	71.5 Å²	71.5	5%	0.053	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	146	-178.4	51	94.8	0	0	0	111.7	L527 K528 I529 M561 V574 V578 H579 L596	L527-W543 HydrophobicContact CD1-CB 3.92Å; L527-W543 HydrophobicContact CD1-CG 4.08Å; K528-W543 WeakPolarHBondContact O-CA 3.39Å; I529-W543 HydrophobicContact CB-CB 4.47Å; W543-M561 HydrophobicContact CE3-CE 4.34Å; W543-M561 HydrophobicContact CZ3-CE 3.89Å; W543-V574 HydrophobicContact CH2-CG1 3.71Å; W543-V574 HydrophobicContact CZ2-CG1 3.9Å; W543-V578 HydrophobicContact CH2-CG1 4.33Å; W543-V578 WeakPolarHBondContact CZ2-O 3.27Å; W543-H579 PolarHBondContact N-O 2.81Å; W543-L596 HydrophobicContact CB-CD2 4.08Å; W543-L596 HydrophobicContact CD2-CD2 3.39Å; W543-L596 HydrophobicContact CE3-CD2 3.8Å; W543-L596 HydrophobicContact CG-CD2 3.53Å; W543-L596 HydrophobicContact CZ2-CD2 4.31Å; W543-L596 HydrophobicContact CZ3-CD2 4.44Å
544	K	74	Confident	67.9	Low	140 Å²	140	70.7 Å²	70.7	61%	0.609	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.6	130.7	169.1	-78.2	169.5	-176.5	-177.6	0	108.8	K528 Y530	K528-K544 PolarHBondContact N-O 2.83Å; K528-K544 PolarHBondContact O-N 2.78Å; Y530-K544 HydrophobicContact CE1-CB 4.17Å; Y530-K544 HydrophobicContact CE1-CD 3.96Å; Y530-K544 HydrophobicContact CE1-CG 3.81Å; Y530-K544 WeakPolarHBondContact OH-CE 3.49Å
545	V	66.8	Low	66.5	Low	49 Å²	49	76.2 Å²	76.2	30%	0.297	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	129.7	162.7	-175.9	0	0	0	0	106.2	V526 L527 S547 W556	V526-V545 HydrophobicContact CG1-CG1 4.03Å; V526-V545 CarbonylContact O-C 3.48Å; V526-V545 WeakPolarHBondContact O-CA 3.49Å; L527-V545 HydrophobicContact CD1-CG2 4.2Å; V545-S547 PolarHBondContact O-N 3.27Å; V545-S547 VanDerWaalsContact O-N 3.11Å; V545-W556 HydrophobicContact CG1-CZ2 4.34Å; V545-W556 HydrophobicContact CG2-CZ2 4.14Å
546	N	58.1	Low	65.4	Low	115 Å²	115	74.7 Å²	74.7	62%	0.615	40%	0.399	S	S	*	.			trans	-75.9	103.4	-177	-151.3	24.6	0	0	0	109.2	V526 N548	V526-N546 PolarHBondContact O-N 3.14Å; N546-N548 PolarHBondContact O-N 2.87Å
547	S	47	Very low	64.5	Low	85 Å²	85	76.2 Å²	76.2	59%	0.594	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	21.3	-157	58.1	0	0	0	0	116.3	V545 V549	V545-S547 PolarHBondContact O-N 3.27Å; V545-S547 VanDerWaalsContact O-N 3.11Å; S547-V549 VanDerWaalsContact C-N 3.3Å
548	N	46.6	Very low	64.1	Low	126 Å²	126	74.2 Å²	74.2	67%	0.674	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-3.4	174.7	-70	8.5	0	0	0	112.5	N546	N546-N548 PolarHBondContact O-N 2.87Å
549	V	48.5	Very low	63.8	Low	75 Å²	75	74.2 Å²	74.2	46%	0.455	41%	0.407	S	S	.	.	S	Bend	trans	-78.9	124.9	161.1	-174.8	0	0	0	0	108.4	V526 S547 T551 L554	V526-V549 HydrophobicContact CG1-CG2 4.04Å; S547-V549 VanDerWaalsContact C-N 3.3Å; V549-T551 PolarHBondContact O-N 3.28Å; V549-L554 HydrophobicContact CB-CD1 4.34Å; V549-L554 HydrophobicContact CG1-CD1 3.54Å
550	M	34.2	Very low	63.5	Low	165 Å²	165	76.5 Å²	76.5	81%	0.813	42%	0.421	S	S	*	.			trans	-44.4	126.6	-168.3	-149.9	172.1	-162.1	0	0	113.6	S552	M550-S552 PolarHBondContact O-N 2.91Å
551	T	40.4	Very low	63.3	Low	131 Å²	131	74.8 Å²	74.8	80%	0.804	41%	0.413	S	S	*	.	S	Bend	trans	-77.2	64.3	-169.3	54.5	0	0	0	0	113.8	V549	V549-T551 PolarHBondContact O-N 3.28Å
552	S	40.2	Very low	63.2	Low	78 Å²	78	78 Å²	78	55%	0.545	43%	0.426	S	S	.	.	S	Bend	trans	-152.7	118.6	166.4	56.9	0	0	0	0	111.3	M550	M550-S552 PolarHBondContact O-N 2.91Å
553	N	45.8	Very low	63.1	Low	141 Å²	141	78.6 Å²	78.6	75%	0.754	43%	0.429	S	S	*	.			trans	77	18.4	164.3	-53.1	-34.6	0	0	0	120.1	K555	N553-K555 PolarHBondContact O-N 2.81Å
554	L	51.1	Low	63.1	Low	80 Å²	80	79.9 Å²	79.9	42%	0.419	44%	0.437	S	S	.	.			trans	-73.5	79.1	156.4	-93.9	130.8	0	0	0	110.7	V549 W556	V549-L554 HydrophobicContact CB-CD1 4.34Å; V549-L554 HydrophobicContact CG1-CD1 3.54Å; L554-W556 HydrophobicContact CD2-CH2 3.78Å; L554-W556 HydrophobicContact CD2-CZ2 4.26Å; L554-W556 HydrophobicContact CD2-CZ3 3.98Å
555	K	57.2	Low	63.5	Low	146 Å²	146	74 Å²	74	64%	0.635	41%	0.413	S	S	*	.			trans	-92.8	111.2	165.4	-71.8	-171.5	175.8	-172.6	0	109	N553	N553-K555 PolarHBondContact O-N 2.81Å
556	W	67.1	Low	64	Low	47 Å²	47	77.6 Å²	77.6	18%	0.178	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	141.3	173.7	-47.4	107.6	0	0	0	110.1	V545 L554 V576 V598 S599	V545-W556 HydrophobicContact CG1-CZ2 4.34Å; V545-W556 HydrophobicContact CG2-CZ2 4.14Å; L554-W556 HydrophobicContact CD2-CH2 3.78Å; L554-W556 HydrophobicContact CD2-CZ2 4.26Å; L554-W556 HydrophobicContact CD2-CZ3 3.98Å; W556-V576 HydrophobicContact CB-CG1 3.88Å; W556-V576 HydrophobicContact CB-CG2 4.11Å; W556-V576 HydrophobicContact CG-CG1 4.46Å; W556-V576 WeakPolarHBondContact O-CG1 3.46Å; W556-V576 WeakPolarHBondContact O-CG2 3.41Å; W556-V598 HydrophobicContact CD2-CB 4.16Å; W556-V598 HydrophobicContact CD2-CG2 4.18Å; W556-V598 HydrophobicContact CE3-CB 3.98Å; W556-V598 HydrophobicContact CE3-CG2 3.73Å; W556-V598 HydrophobicContact CH2-CG2 4.05Å; W556-V598 HydrophobicContact CZ2-CG2 4.46Å; W556-V598 HydrophobicContact CZ3-CB 4.42Å; W556-V598 HydrophobicContact CZ3-CG2 3.66Å; W556-S599 CarbonylContact C-O 3.54Å; W556-S599 VanDerWaalsContact CA-O 3.29Å; W556-S599 WeakPolarHBondContact CA-O 3.42Å; W556-S599 WeakPolarHBondContact CB-O 3.43Å
557	S	65.2	Low	64.6	Low	68 Å²	68	79.9 Å²	79.9	48%	0.476	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-30.8	177.6	59.5	0	0	0	0	111.8	S599 N600	S557-S599 PolarHBondContact N-O 3.26Å; S557-S599 PolarHBondContact OG-O 2.93Å; S557-S599 PolarHBondContact OG-OG 2.87Å; S557-N600 PolarHBondContact OG-O 2.96Å
558	S	77.8	Confident	65.8	Low	54 Å²	54	79.2 Å²	79.2	38%	0.378	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	154.6	164.3	74.9	0	0	0	0	112.2	S599	S558-S599 PolarHBondContact N-OG 2.82Å; S558-S599 VanDerWaalsContact N-OG 3.14Å; S558-S599 PolarHBondContact O-N 3.04Å; S558-S599 PolarHBondContact O-OG 2.73Å; S558-S599 PolarHBondContact OG-OG 3.01Å
559	A	80.8	Confident	67.5	Low	7 Å²	7	77.4 Å²	77.4	6%	0.058	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	138.1	168.9	0	0	0	0	0	109.8	V574 L596 V598	A559-V574 HydrophobicContact CB-CB 4.02Å; A559-V574 PolarHBondContact O-N 3.13Å; A559-L596 HydrophobicContact CB-CD1 4.38Å; A559-V598 HydrophobicContact CB-CG1 4.01Å
560	T	83.4	Confident	68.9	Low	48 Å²	48	80.6 Å²	80.6	29%	0.294	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	126.4	-177.1	48.9	0	0	0	0	110.3	A572 R573 T597	T560-A572 CarbonylContact C-O 3.43Å; T560-A572 WeakPolarHBondContact CA-O 3.44Å; T560-R573 HydrophobicContact CG2-CG 4.31Å; T560-T597 PolarHBondContact N-O 2.74Å; T560-T597 PolarHBondContact O-N 3.39Å; T560-T597 PolarHBondContact OG1-O 2.75Å
561	M	83.9	Confident	71.3	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	123.3	173.6	-163.8	74.5	71.3	0	0	108.5	I529 V541 W543 T571 A572 V574 L583 V594 C595 L596	I529-M561 HydrophobicContact CD1-CE 4.03Å; I529-M561 HydrophobicContact CD1-SD 3.86Å; V541-M561 HydrophobicContact CG2-CE 3.63Å; V541-M561 HydrophobicContact CG2-SD 4.48Å; W543-M561 HydrophobicContact CE3-CE 4.34Å; W543-M561 HydrophobicContact CZ3-CE 3.89Å; M561-T571 CarbonylContact O-C 3.57Å; M561-T571 WeakPolarHBondContact O-CA 3.29Å; M561-A572 HydrophobicContact CB-CB 4.47Å; M561-A572 PolarHBondContact N-O 2.9Å; M561-A572 PolarHBondContact O-N 2.99Å; M561-V574 HydrophobicContact CB-CG2 3.86Å; M561-L583 HydrophobicContact CG-CD2 3.99Å; M561-V594 HydrophobicContact CG-CG1 4.04Å; M561-V594 HydrophobicContact SD-CG1 3.58Å; M561-V594 VanDerWaalsContact SD-CG1 3.58Å; M561-C595 WeakPolarHBondContact CA-O 3.46Å; M561-L596 HydrophobicContact CE-CB 4.04Å; M561-L596 HydrophobicContact CE-CD1 4.04Å; M561-L596 HydrophobicContact CE-CG 4.42Å; M561-L596 HydrophobicContact SD-CB 3.72Å; M561-L596 HydrophobicContact SD-CD1 4.36Å
562	K	87.4	Confident	73.3	Confident	67 Å²	67	71.2 Å²	71.2	29%	0.291	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	131.3	166.5	-173.5	-173.1	176.3	-159.3	0	108.6	D564 T569 Y570 T571 C595	K562-D564 VanDerWaalsContact CE-OD2 3.25Å; K562-D564 WeakPolarHBondContact CE-OD2 3.45Å; K562-D564 IonicContact NZ-OD2 2.56Å; K562-D564 PolarHBondContact NZ-OD2 3.49Å; K562-T569 HydrophobicContact CG-CG2 4.48Å; K562-Y570 WeakPolarHBondContact CA-O 3.46Å; K562-T571 HydrophobicContact CB-CG2 4Å; K562-T571 HydrophobicContact CG-CG2 3.89Å; K562-C595 HydrophobicContact CB-CB 4.42Å; K562-C595 PolarHBondContact N-O 2.82Å; K562-C595 PolarHBondContact O-N 2.95Å
563	I	85.2	Confident	75.3	Confident	14 Å²	14	78.1 Å²	78.1	7%	0.072	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	133.5	163.8	-41.8	179.1	0	0	0	106.4	T569 Y570 L583 L586 Y592 E593 V594	I563-T569 WeakPolarHBondContact O-CA 3.44Å; I563-Y570 HydrophobicContact CD1-CD1 4.32Å; I563-Y570 PolarHBondContact N-O 2.91Å; I563-Y570 PolarHBondContact O-N 3.1Å; I563-L583 HydrophobicContact CD1-CB 4.15Å; I563-L583 HydrophobicContact CD1-CD1 4.24Å; I563-L583 HydrophobicContact CD1-CD2 3.78Å; I563-L583 HydrophobicContact CD1-CG 4.27Å; I563-L583 HydrophobicContact CG1-CD1 4.35Å; I563-L583 HydrophobicContact CG1-CD2 4.1Å; I563-L586 HydrophobicContact CD1-CD2 4.04Å; I563-L586 HydrophobicContact CG2-CD2 4.34Å; I563-Y592 HydrophobicContact CG2-CD1 3.59Å; I563-Y592 HydrophobicContact CG2-CE1 4.36Å; I563-Y592 HydrophobicContact CG2-CG 4.04Å; I563-E593 CarbonylContact C-O 3.57Å; I563-E593 WeakPolarHBondContact CA-O 3.49Å; I563-V594 HydrophobicContact CG2-CG2 4.47Å
564	D	84.9	Confident	77	Confident	42 Å²	42	71.8 Å²	71.8	23%	0.225	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	142.6	176.3	-142.5	2	0	0	0	112.5	K562 T569 Y592 E593	K562-D564 VanDerWaalsContact CE-OD2 3.25Å; K562-D564 WeakPolarHBondContact CE-OD2 3.45Å; K562-D564 IonicContact NZ-OD2 2.56Å; K562-D564 PolarHBondContact NZ-OD2 3.49Å; D564-T569 WeakPolarHBondContact OD1-CB 3.4Å; D564-T569 VanDerWaalsContact OD1-CG2 3.28Å; D564-T569 WeakPolarHBondContact OD1-CG2 3.47Å; D564-T569 PolarHBondContact OD1-OG1 3.48Å; D564-Y592 WeakPolarHBondContact O-CA 3.5Å; D564-E593 HydrophobicContact CB-CB 4.46Å; D564-E593 PolarHBondContact N-O 3.41Å; D564-E593 PolarHBondContact O-N 2.89Å
565	N	81.7	Confident	78.4	Confident	17 Å²	17	71.6 Å²	71.6	9%	0.091	37%	0.367	C	S	.	.			trans	-160.4	146.9	-179.7	163.5	-66.5	0	0	0	106.9	H567 I568 T590 D591 Y592	N565-H567 PolarHBondContact O-N 3.39Å; N565-H567 WeakPolarHBondContact OD1-CB 3.48Å; N565-H567 PolarHBondContact OD1-N 2.95Å; N565-I568 PolarHBondContact N-O 2.87Å; N565-I568 VanDerWaalsContact N-O 3.08Å; N565-I568 CarbonylContact O-C 3.5Å; N565-I568 PolarHBondContact O-N 2.77Å; N565-T590 VanDerWaalsContact ND2-CG2 3.29Å; N565-T590 WeakPolarHBondContact ND2-CG2 3.45Å; N565-D591 PolarHBondContact ND2-O 3.22Å; N565-Y592 HydrophobicContact CB-CD1 3.56Å; N565-Y592 HydrophobicContact CB-CE1 3.74Å
566	P	76.9	Confident	79	Confident	124 Å²	124	66.6 Å²	66.6	81%	0.805	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-8.7	-178.4	21.2	-34.4	0	0	0	116.5
567	H	71.4	Confident	79.1	Confident	163 Å²	163	71 Å²	71	76%	0.755	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.4	-19.5	174.4	-56	-46.1	0	0	0	114.4	N565	N565-H567 PolarHBondContact O-N 3.39Å; N565-H567 WeakPolarHBondContact OD1-CB 3.48Å; N565-H567 PolarHBondContact OD1-N 2.95Å
568	I	72.5	Confident	79.6	Confident	70 Å²	70	70.3 Å²	70.3	36%	0.359	37%	0.369	S	S	.	.			trans	-146.4	119.1	-174.6	-53.6	179.5	0	0	0	111.1	N565	N565-I568 PolarHBondContact N-O 2.87Å; N565-I568 VanDerWaalsContact N-O 3.08Å; N565-I568 CarbonylContact O-C 3.5Å; N565-I568 PolarHBondContact O-N 2.77Å
569	T	81.3	Confident	79.6	Confident	89 Å²	89	72.8 Å²	72.8	55%	0.546	37%	0.374	S	S	.	.			trans	-113.3	131.4	168	-47.1	0	0	0	0	109.9	K562 I563 D564	K562-T569 HydrophobicContact CG-CG2 4.48Å; I563-T569 WeakPolarHBondContact O-CA 3.44Å; D564-T569 WeakPolarHBondContact OD1-CB 3.4Å; D564-T569 VanDerWaalsContact OD1-CG2 3.28Å; D564-T569 WeakPolarHBondContact OD1-CG2 3.47Å; D564-T569 PolarHBondContact OD1-OG1 3.48Å
570	Y	79.6	Confident	79.8	Confident	141 Å²	141	76.2 Å²	76.2	55%	0.553	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.2	151.2	176.7	179.2	-113.1	0	0	0	112.1	K562 I563 A572	K562-Y570 WeakPolarHBondContact CA-O 3.46Å; I563-Y570 HydrophobicContact CD1-CD1 4.32Å; I563-Y570 PolarHBondContact N-O 2.91Å; I563-Y570 PolarHBondContact O-N 3.1Å; Y570-A572 HydrophobicContact CE1-CB 3.93Å
571	T	84.4	Confident	80	Confident	93 Å²	93	77 Å²	77	57%	0.571	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.8	125.1	174.4	49.8	0	0	0	0	112	M561 K562	M561-T571 CarbonylContact O-C 3.57Å; M561-T571 WeakPolarHBondContact O-CA 3.29Å; K562-T571 HydrophobicContact CB-CG2 4Å; K562-T571 HydrophobicContact CG-CG2 3.89Å
572	A	81.3	Confident	80.2	Confident	6 Å²	6	80.6 Å²	80.6	5%	0.05	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	143.5	174.2	0	0	0	0	0	110.6	T560 M561 Y570 Y581	T560-A572 CarbonylContact C-O 3.43Å; T560-A572 WeakPolarHBondContact CA-O 3.44Å; M561-A572 HydrophobicContact CB-CB 4.47Å; M561-A572 PolarHBondContact N-O 2.9Å; M561-A572 PolarHBondContact O-N 2.99Å; Y570-A572 HydrophobicContact CE1-CB 3.93Å; A572-Y581 HydrophobicContact CB-CE1 4.27Å
573	R	81.7	Confident	80.1	Confident	224 Å²	224	77.7 Å²	77.7	85%	0.845	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	128.5	164.1	-69.5	-177.6	-179.6	176.8	0.6	108.7	T560	T560-R573 HydrophobicContact CG2-CG 4.31Å
574	V	82.9	Confident	80.1	Confident	8 Å²	8	80.3 Å²	80.3	5%	0.048	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	134.8	-178.7	-179.5	0	0	0	0	108.4	W543 A559 M561 Y581	W543-V574 HydrophobicContact CH2-CG1 3.71Å; W543-V574 HydrophobicContact CZ2-CG1 3.9Å; A559-V574 HydrophobicContact CB-CB 4.02Å; A559-V574 PolarHBondContact O-N 3.13Å; M561-V574 HydrophobicContact CB-CG2 3.86Å; V574-Y581 HydrophobicContact CB-CD2 4.48Å; V574-Y581 HydrophobicContact CG1-CD2 3.98Å; V574-Y581 HydrophobicContact CG2-CD2 4.03Å; V574-Y581 HydrophobicContact CG2-CE2 4.15Å; V574-Y581 HydrophobicContact CG2-CG 4.28Å
575	P	79	Confident	80	Confident	75 Å²	75	86.9 Å²	86.9	49%	0.487	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-62.3	137.2	173.3	-20.3	32.5	0	0	0	111.2	D577 V578	P575-D577 VanDerWaalsContact C-N 3.31Å; P575-D577 PolarHBondContact O-N 3.2Å; P575-V578 HydrophobicContact CB-CB 4.5Å; P575-V578 HydrophobicContact CB-CG2 3.89Å; P575-V578 HydrophobicContact CG-CG2 4.21Å; P575-V578 WeakPolarHBondContact O-CB 3.43Å; P575-V578 PolarHBondContact O-N 3.02Å
576	V	70.2	Confident	80.1	Confident	41 Å²	41	86.6 Å²	86.6	25%	0.248	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-35.1	-170.8	160.3	0	0	0	0	113.7	W556 V578	W556-V576 HydrophobicContact CB-CG1 3.88Å; W556-V576 HydrophobicContact CB-CG2 4.11Å; W556-V576 HydrophobicContact CG-CG1 4.46Å; W556-V576 WeakPolarHBondContact O-CG1 3.46Å; W556-V576 WeakPolarHBondContact O-CG2 3.41Å; V576-V578 VanDerWaalsContact C-N 3.31Å; V576-V578 PolarHBondContact O-N 3.16Å
577	D	68.9	Low	80.5	Confident	141 Å²	141	85.4 Å²	85.4	75%	0.754	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-6.1	-174.6	-47.3	-75.5	0	0	0	113.4	P575 H579	P575-D577 VanDerWaalsContact C-N 3.31Å; P575-D577 PolarHBondContact O-N 3.2Å; D577-H579 PolarHBondContact O-ND1 2.9Å; D577-H579 VanDerWaalsContact O-ND1 3.17Å
578	V	76.5	Confident	81.2	Confident	53 Å²	53	79.3 Å²	79.3	32%	0.321	40%	0.397	S	S	.	.			trans	-83.6	148	-179.1	172.1	0	0	0	0	110.6	W543 P575 V576 E580	W543-V578 HydrophobicContact CH2-CG1 4.33Å; W543-V578 WeakPolarHBondContact CZ2-O 3.27Å; P575-V578 HydrophobicContact CB-CB 4.5Å; P575-V578 HydrophobicContact CB-CG2 3.89Å; P575-V578 HydrophobicContact CG-CG2 4.21Å; P575-V578 WeakPolarHBondContact O-CB 3.43Å; P575-V578 PolarHBondContact O-N 3.02Å; V576-V578 VanDerWaalsContact C-N 3.31Å; V576-V578 PolarHBondContact O-N 3.16Å; V578-E580 WeakPolarHBondContact CG1-O 3.49Å
579	H	77.1	Confident	81.8	Confident	106 Å²	106	79.2 Å²	79.2	49%	0.491	40%	0.403	S	S	.	.	S	Bend	trans	-125.3	-3	-178.7	-71.4	72	0	0	0	113.8	S542 W543 D577	S542-H579 VanDerWaalsContact CA-O 3.31Å; S542-H579 WeakPolarHBondContact CA-O 3.08Å; S542-H579 WeakPolarHBondContact CB-O 3.33Å; S542-H579 PolarHBondContact OG-O 3.28Å; W543-H579 PolarHBondContact N-O 2.81Å; D577-H579 PolarHBondContact O-ND1 2.9Å; D577-H579 VanDerWaalsContact O-ND1 3.17Å
580	E	86.3	Confident	82	Confident	78 Å²	78	76.2 Å²	76.2	36%	0.364	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	135.5	175.1	-43.8	-161.2	155.5	0	0	109.4	K532 L540 V541 V578	K532-E580 WeakPolarHBondContact CD-OE1 3.46Å; K532-E580 WeakPolarHBondContact CD-OE2 3.37Å; K532-E580 IonicContact NZ-OE1 3.83Å; K532-E580 PolarHBondContact NZ-OE1 3.01Å; K532-E580 IonicContact NZ-OE2 2.71Å; K532-E580 PolarHBondContact NZ-OE2 3.23Å; L540-E580 HydrophobicContact CD1-CB 4.21Å; V541-E580 CarbonylContact O-C 3.18Å; V541-E580 VanDerWaalsContact O-CA 3.28Å; V541-E580 WeakPolarHBondContact O-CA 3.23Å; V578-E580 WeakPolarHBondContact CG1-O 3.49Å
581	Y	86.3	Confident	82.4	Confident	64 Å²	64	74.5 Å²	74.5	25%	0.251	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	129.7	-178.3	-166.7	-93.8	0	0	0	110.6	V541 A572 V574 L583	V541-Y581 WeakPolarHBondContact CG2-O 3.22Å; V541-Y581 PolarHBondContact N-O 3.45Å; V541-Y581 PolarHBondContact O-N 3.3Å; A572-Y581 HydrophobicContact CB-CE1 4.27Å; V574-Y581 HydrophobicContact CB-CD2 4.48Å; V574-Y581 HydrophobicContact CG1-CD2 3.98Å; V574-Y581 HydrophobicContact CG2-CD2 4.03Å; V574-Y581 HydrophobicContact CG2-CE2 4.15Å; V574-Y581 HydrophobicContact CG2-CG 4.28Å; Y581-L583 HydrophobicContact CD1-CD2 3.59Å; Y581-L583 HydrophobicContact CD1-CG 4.29Å; Y581-L583 HydrophobicContact CE1-CD2 3.74Å
582	N	88.1	Confident	82.5	Confident	77 Å²	77	70.5 Å²	70.5	41%	0.412	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	109.6	178.3	-165.9	2.2	0	0	0	110.4	L540	L540-N582 HydrophobicContact CD1-CB 4.08Å
583	L	85.4	Confident	83	Confident	5 Å²	5	73.5 Å²	73.5	3%	0.026	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	126.7	172.1	-53.9	169.4	0	0	0	107.5	S538 I539 V541 M561 I563 Y581 L586 V594	S538-L583 CarbonylContact C-O 3.57Å; S538-L583 WeakPolarHBondContact CA-O 3.18Å; S538-L583 WeakPolarHBondContact CB-O 3.31Å; I539-L583 HydrophobicContact CB-CB 4.44Å; I539-L583 HydrophobicContact CB-CD1 4.49Å; I539-L583 PolarHBondContact N-O 2.92Å; I539-L583 WeakPolarHBondContact O-CB 3.26Å; I539-L583 PolarHBondContact O-N 2.85Å; V541-L583 HydrophobicContact CG1-CD1 4.39Å; V541-L583 HydrophobicContact CG2-CD1 4.23Å; V541-L583 HydrophobicContact CG2-CG 4.45Å; M561-L583 HydrophobicContact CG-CD2 3.99Å; I563-L583 HydrophobicContact CD1-CB 4.15Å; I563-L583 HydrophobicContact CD1-CD1 4.24Å; I563-L583 HydrophobicContact CD1-CD2 3.78Å; I563-L583 HydrophobicContact CD1-CG 4.27Å; I563-L583 HydrophobicContact CG1-CD1 4.35Å; I563-L583 HydrophobicContact CG1-CD2 4.1Å; Y581-L583 HydrophobicContact CD1-CD2 3.59Å; Y581-L583 HydrophobicContact CD1-CG 4.29Å; Y581-L583 HydrophobicContact CE1-CD2 3.74Å; L583-L586 HydrophobicContact CB-CD1 4.05Å; L583-V594 HydrophobicContact CD1-CB 4.33Å; L583-V594 HydrophobicContact CD1-CG1 3.64Å; L583-V594 HydrophobicContact CD1-CG2 3.66Å
584	T	85.1	Confident	83.3	Confident	70 Å²	70	62.9 Å²	62.9	43%	0.429	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	170.8	-174.4	56.2	0	0	0	0	110.7	H537 L586	H537-T584 CarbonylContact O-C 3.59Å; T584-L586 PolarHBondContact O-N 2.94Å
585	H	83.3	Confident	83.5	Confident	179 Å²	179	62.5 Å²	62.5	83%	0.829	33%	0.33	S	S	*	.	S	Bend	trans	64.4	26.2	-178	-49.8	80.2	0	0	0	113.7	H537	H537-H585 PolarHBondContact O-N 2.99Å; H537-H585 VanDerWaalsContact O-N 3.13Å
586	L	84.8	Confident	83.8	Confident	12 Å²	12	58.9 Å²	58.9	6%	0.063	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-80.6	156.6	174.8	-60.1	174	0	0	0	110.8	H537 I539 I563 L583 T584 Y592 T614	H537-L586 WeakPolarHBondContact CA-O 3.47Å; H537-L586 PolarHBondContact CD2-O 3.12Å; H537-L586 VanDerWaalsContact CD2-O 3.3Å; H537-L586 PolarHBondContact O-N 3.13Å; H537-L586 VanDerWaalsContact O-N 3.12Å; I539-L586 HydrophobicContact CB-CD1 4.07Å; I539-L586 HydrophobicContact CD1-CD1 3.57Å; I539-L586 HydrophobicContact CG1-CD1 3.61Å; I563-L586 HydrophobicContact CD1-CD2 4.04Å; I563-L586 HydrophobicContact CG2-CD2 4.34Å; L583-L586 HydrophobicContact CB-CD1 4.05Å; T584-L586 PolarHBondContact O-N 2.94Å; L586-Y592 HydrophobicContact CB-CE2 3.96Å; L586-Y592 HydrophobicContact CD1-CE2 4.49Å; L586-Y592 HydrophobicContact CD2-CD1 4.39Å; L586-Y592 HydrophobicContact CD2-CD2 4.42Å; L586-Y592 HydrophobicContact CD2-CE1 4.01Å; L586-Y592 HydrophobicContact CD2-CE2 4.03Å; L586-Y592 HydrophobicContact CG-CE2 4.38Å; L586-T614 HydrophobicContact CB-CG2 3.95Å; L586-T614 HydrophobicContact CD1-CG2 4.22Å
587	Q	84.5	Confident	84.5	Confident	99 Å²	99	58.8 Å²	58.8	46%	0.463	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-82.3	145.4	175.8	-67.7	-175	-24.6	0	0	110.6	T590 Y592 T614	Q587-T590 HydrophobicContact CB-CG2 4.48Å; Q587-T590 WeakPolarHBondContact O-CB 3.21Å; Q587-Y592 PolarHBondContact N-OH 2.99Å; Q587-T614 WeakPolarHBondContact O-CB 3.46Å; Q587-T614 WeakPolarHBondContact O-CG2 3.45Å; Q587-T614 PolarHBondContact O-OG1 3.3Å
588	P	86.6	Confident	85	Confident	35 Å²	35	52.3 Å²	52.3	23%	0.227	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	152.9	176.7	-20	32.4	0	0	0	113.8	S536 H537 T590 T614 K615 A617	S536-P588 WeakPolarHBondContact O-CA 3.43Å; S536-P588 WeakPolarHBondContact O-CG 3.38Å; H537-P588 WeakPolarHBondContact NE2-CG 3.44Å; P588-T590 PolarHBondContact O-N 3.18Å; P588-T590 PolarHBondContact O-OG1 2.84Å; P588-T614 VanDerWaalsContact C-OG1 3.27Å; P588-T614 WeakPolarHBondContact CA-OG1 3.31Å; P588-K615 WeakPolarHBondContact CA-O 3.37Å; P588-K615 WeakPolarHBondContact CB-O 3.21Å; P588-A617 HydrophobicContact CB-CB 3.86Å; P588-A617 HydrophobicContact CG-CB 3.59Å
589	S	84.4	Confident	84.8	Confident	68 Å²	68	50.5 Å²	50.5	48%	0.476	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	35.6	175.2	13.3	0	0	0	0	113.5	T614 K615	S589-T614 WeakPolarHBondContact CA-O 3.33Å; S589-T614 PolarHBondContact N-O 2.81Å; S589-T614 PolarHBondContact N-OG1 3.25Å; S589-K615 PolarHBondContact N-O 2.94Å
590	T	86.3	Confident	84.4	Confident	26 Å²	26	46.6 Å²	46.6	16%	0.16	24%	0.244	C	C	.	.			trans	-127.4	136.1	-169.4	-60.2	0	0	0	0	110.9	N565 Q587 P588 Y592 T613 T614	N565-T590 VanDerWaalsContact ND2-CG2 3.29Å; N565-T590 WeakPolarHBondContact ND2-CG2 3.45Å; Q587-T590 HydrophobicContact CB-CG2 4.48Å; Q587-T590 WeakPolarHBondContact O-CB 3.21Å; P588-T590 PolarHBondContact O-N 3.18Å; P588-T590 PolarHBondContact O-OG1 2.84Å; T590-Y592 HydrophobicContact CG2-CD2 4.4Å; T590-Y592 HydrophobicContact CG2-CE1 4.34Å; T590-Y592 HydrophobicContact CG2-CE2 3.68Å; T590-Y592 WeakPolarHBondContact O-CD2 3.45Å; T590-T613 WeakPolarHBondContact O-CA 3.25Å; T590-T614 PolarHBondContact N-OG1 3.01Å; T590-T614 PolarHBondContact O-N 3.4Å; T590-T614 PolarHBondContact O-OG1 3.24Å
591	D	88.1	Confident	83.1	Confident	105 Å²	105	48.4 Å²	48.4	56%	0.561	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	140.8	178.3	-67.9	-45.6	0	0	0	112.8	N565 T613	N565-D591 PolarHBondContact ND2-O 3.22Å; D591-T613 VanDerWaalsContact OD1-CB 3.29Å; D591-T613 WeakPolarHBondContact OD1-CB 3.37Å; D591-T613 VanDerWaalsContact OD1-CG2 3.24Å; D591-T613 WeakPolarHBondContact OD1-CG2 3.39Å; D591-T613 PolarHBondContact OD1-OG1 3.16Å
592	Y	86.6	Confident	81.7	Confident	8 Å²	8	52.4 Å²	52.4	3%	0.031	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	138.5	176.6	-65.3	-80.9	0	0	0	111.5	I539 I563 D564 N565 L586 Q587 T590 N611 V612 T614	I539-Y592 HydrophobicContact CD1-CD2 4.4Å; I563-Y592 HydrophobicContact CG2-CD1 3.59Å; I563-Y592 HydrophobicContact CG2-CE1 4.36Å; I563-Y592 HydrophobicContact CG2-CG 4.04Å; D564-Y592 WeakPolarHBondContact O-CA 3.5Å; N565-Y592 HydrophobicContact CB-CD1 3.56Å; N565-Y592 HydrophobicContact CB-CE1 3.74Å; L586-Y592 HydrophobicContact CB-CE2 3.96Å; L586-Y592 HydrophobicContact CD1-CE2 4.49Å; L586-Y592 HydrophobicContact CD2-CD1 4.39Å; L586-Y592 HydrophobicContact CD2-CD2 4.42Å; L586-Y592 HydrophobicContact CD2-CE1 4.01Å; L586-Y592 HydrophobicContact CD2-CE2 4.03Å; L586-Y592 HydrophobicContact CG-CE2 4.38Å; Q587-Y592 PolarHBondContact N-OH 2.99Å; T590-Y592 HydrophobicContact CG2-CD2 4.4Å; T590-Y592 HydrophobicContact CG2-CE1 4.34Å; T590-Y592 HydrophobicContact CG2-CE2 3.68Å; T590-Y592 WeakPolarHBondContact O-CD2 3.45Å; Y592-N611 WeakPolarHBondContact O-CA 3.33Å; Y592-V612 PolarHBondContact N-O 2.93Å; Y592-V612 PolarHBondContact O-N 3.14Å; Y592-T614 HydrophobicContact CD2-CG2 4.22Å; Y592-T614 HydrophobicContact CE2-CG2 3.94Å
593	E	89.9	Confident	80.3	Confident	70 Å²	70	56.9 Å²	56.9	33%	0.327	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	125.1	158	-179.2	-177.4	-116.5	0	0	108.1	I563 D564 C595 C609	I563-E593 CarbonylContact C-O 3.57Å; I563-E593 WeakPolarHBondContact CA-O 3.49Å; D564-E593 HydrophobicContact CB-CB 4.46Å; D564-E593 PolarHBondContact N-O 3.41Å; D564-E593 PolarHBondContact O-N 2.89Å; E593-C595 PolarHBondContact OE2-SG 3.07Å; E593-C609 HydrophobicContact CG-CB 4.37Å
594	V	89.1	Confident	79	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	113.2	175.4	177.8	0	0	0	0	109.2	I529 V541 M561 I563 L583 C609 V610 V612	I529-V594 HydrophobicContact CD1-CG1 4.01Å; V541-V594 HydrophobicContact CG1-CG1 4.09Å; V541-V594 HydrophobicContact CG2-CG1 4.4Å; M561-V594 HydrophobicContact CG-CG1 4.04Å; M561-V594 HydrophobicContact SD-CG1 3.58Å; M561-V594 VanDerWaalsContact SD-CG1 3.58Å; I563-V594 HydrophobicContact CG2-CG2 4.47Å; L583-V594 HydrophobicContact CD1-CB 4.33Å; L583-V594 HydrophobicContact CD1-CG1 3.64Å; L583-V594 HydrophobicContact CD1-CG2 3.66Å; V594-C609 CarbonylContact O-C 3.5Å; V594-C609 VanDerWaalsContact O-CA 3.27Å; V594-C609 WeakPolarHBondContact O-CA 3.47Å; V594-V610 HydrophobicContact CB-CG1 4.23Å; V594-V610 PolarHBondContact N-O 2.87Å; V594-V610 PolarHBondContact O-N 3.02Å; V594-V612 HydrophobicContact CG2-CG1 3.75Å
595	C	86.7	Confident	78.2	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	115.5	-177.8	-71.2	0	0	0	0	112.5	M561 K562 E593 K607 S608 C609	M561-C595 WeakPolarHBondContact CA-O 3.46Å; K562-C595 HydrophobicContact CB-CB 4.42Å; K562-C595 PolarHBondContact N-O 2.82Å; K562-C595 PolarHBondContact O-N 2.95Å; E593-C595 PolarHBondContact OE2-SG 3.07Å; C595-K607 HydrophobicContact CB-CG 4.5Å; C595-K607 WeakPolarHBondContact SG-CE 3.25Å; C595-K607 PolarHBondContact SG-NZ 2.74Å; C595-S608 CarbonylContact C-O 3.46Å; C595-S608 WeakPolarHBondContact CA-O 3.38Å; C595-C609 HydrophobicContact CB-CB 4.14Å; C595-C609 WeakPolarHBondContact CB-SG 3.46Å; C595-C609 WeakPolarHBondContact SG-CB 3.32Å; C595-C609 CovalentContact SG-SG 2.04Å; C595-C609 PolarHBondContact SG-SG 3.29Å
596	L	86.4	Confident	77.6	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	124.9	167.5	178.8	57.7	0	0	0	109.8	L527 I529 W543 A559 M561 V598 K607 S608	L527-L596 HydrophobicContact CD1-CD2 4.22Å; L527-L596 HydrophobicContact CD2-CB 4.5Å; L527-L596 HydrophobicContact CD2-CD2 3.95Å; L527-L596 HydrophobicContact CD2-CG 3.98Å; I529-L596 HydrophobicContact CD1-CB 4.04Å; W543-L596 HydrophobicContact CB-CD2 4.08Å; W543-L596 HydrophobicContact CD2-CD2 3.39Å; W543-L596 HydrophobicContact CE3-CD2 3.8Å; W543-L596 HydrophobicContact CG-CD2 3.53Å; W543-L596 HydrophobicContact CZ2-CD2 4.31Å; W543-L596 HydrophobicContact CZ3-CD2 4.44Å; A559-L596 HydrophobicContact CB-CD1 4.38Å; M561-L596 HydrophobicContact CE-CB 4.04Å; M561-L596 HydrophobicContact CE-CD1 4.04Å; M561-L596 HydrophobicContact CE-CG 4.42Å; M561-L596 HydrophobicContact SD-CB 3.72Å; M561-L596 HydrophobicContact SD-CD1 4.36Å; L596-V598 HydrophobicContact CD1-CG1 4.17Å; L596-V598 HydrophobicContact CD2-CG1 4.38Å; L596-V598 HydrophobicContact CG-CG1 4.08Å; L596-K607 CarbonylContact O-C 3.58Å; L596-K607 WeakPolarHBondContact O-CA 3.44Å; L596-S608 PolarHBondContact N-O 2.99Å; L596-S608 PolarHBondContact O-N 2.82Å
597	T	82.9	Confident	77.5	Confident	39 Å²	39	63.6 Å²	63.6	24%	0.239	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	117.6	171.6	-48.4	0	0	0	0	109.4	T560 Q606	T560-T597 PolarHBondContact N-O 2.74Å; T560-T597 PolarHBondContact O-N 3.39Å; T560-T597 PolarHBondContact OG1-O 2.75Å; T597-Q606 CarbonylContact C-O 3.31Å; T597-Q606 VanDerWaalsContact CA-O 3.29Å; T597-Q606 WeakPolarHBondContact CA-O 3.09Å
598	V	79.9	Confident	77.5	Confident	4 Å²	4	59.4 Å²	59.4	2%	0.024	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	154.3	176.2	-59.3	0	0	0	0	110.8	L527 W556 A559 L596 T605 Q606	L527-V598 HydrophobicContact CD2-CG1 3.98Å; L527-V598 HydrophobicContact CD2-CG2 3.89Å; W556-V598 HydrophobicContact CD2-CB 4.16Å; W556-V598 HydrophobicContact CD2-CG2 4.18Å; W556-V598 HydrophobicContact CE3-CB 3.98Å; W556-V598 HydrophobicContact CE3-CG2 3.73Å; W556-V598 HydrophobicContact CH2-CG2 4.05Å; W556-V598 HydrophobicContact CZ2-CG2 4.46Å; W556-V598 HydrophobicContact CZ3-CB 4.42Å; W556-V598 HydrophobicContact CZ3-CG2 3.66Å; A559-V598 HydrophobicContact CB-CG1 4.01Å; L596-V598 HydrophobicContact CD1-CG1 4.17Å; L596-V598 HydrophobicContact CD2-CG1 4.38Å; L596-V598 HydrophobicContact CG-CG1 4.08Å; V598-T605 CarbonylContact O-C 3.12Å; V598-T605 VanDerWaalsContact O-CA 3.22Å; V598-T605 WeakPolarHBondContact O-CA 3.16Å; V598-Q606 HydrophobicContact CG2-CB 4.12Å; V598-Q606 PolarHBondContact N-O 2.84Å; V598-Q606 PolarHBondContact O-N 2.85Å
599	S	73.4	Confident	77.5	Confident	15 Å²	15	60.1 Å²	60.1	11%	0.105	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	145.3	177.1	55	0	0	0	0	110.9	W556 S557 S558 Q604	W556-S599 CarbonylContact C-O 3.54Å; W556-S599 VanDerWaalsContact CA-O 3.29Å; W556-S599 WeakPolarHBondContact CA-O 3.42Å; W556-S599 WeakPolarHBondContact CB-O 3.43Å; S557-S599 PolarHBondContact N-O 3.26Å; S557-S599 PolarHBondContact OG-O 2.93Å; S557-S599 PolarHBondContact OG-OG 2.87Å; S558-S599 PolarHBondContact N-OG 2.82Å; S558-S599 VanDerWaalsContact N-OG 3.14Å; S558-S599 PolarHBondContact O-N 3.04Å; S558-S599 PolarHBondContact O-OG 2.73Å; S558-S599 PolarHBondContact OG-OG 3.01Å; S599-Q604 WeakPolarHBondContact CA-O 3.14Å
600	N	67.8	Low	77.6	Confident	24 Å²	24	58.4 Å²	58.4	13%	0.128	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	169.4	173.1	-163.4	0.7	0	0	0	110.8	S557 H602 Q603 Q604	S557-N600 PolarHBondContact OG-O 2.96Å; N600-H602 PolarHBondContact O-N 2.85Å; N600-Q603 PolarHBondContact O-N 3.29Å; N600-Q604 PolarHBondContact N-O 2.84Å
601	I	60.1	Low	77.8	Confident	116 Å²	116	62.9 Å²	62.9	60%	0.595	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-33.4	174.6	-57.5	174.2	0	0	0	110.9	Q603	I601-Q603 PolarHBondContact O-N 3.28Å
602	H	56.8	Low	77.9	Confident	148 Å²	148	58.6 Å²	58.6	69%	0.685	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	22.3	175.1	-55.1	-69.6	0	0	0	114.6	N600 Q604	N600-H602 PolarHBondContact O-N 2.85Å; H602-Q604 PolarHBondContact O-N 2.04Å
603	Q	57.1	Low	78	Confident	171 Å²	171	61.7 Å²	61.7	80%	0.799	32%	0.319	S	S	*	.			trans	59.4	-5.7	178.4	-59.8	-175.7	-5.5	0	0	117.5	N600 I601 T605	N600-Q603 PolarHBondContact O-N 3.29Å; I601-Q603 PolarHBondContact O-N 3.28Å; Q603-T605 PolarHBondContact O-N 2.91Å
604	Q	59.8	Low	77.9	Confident	139 Å²	139	58.5 Å²	58.5	65%	0.65	31%	0.305	S	S	*	.			trans	-54.7	132.4	168.3	-69.7	177.1	-26.7	0	0	110.7	S599 N600 H602	S599-Q604 WeakPolarHBondContact CA-O 3.14Å; N600-Q604 PolarHBondContact N-O 2.84Å; H602-Q604 PolarHBondContact O-N 2.04Å
605	T	67.2	Low	77.7	Confident	99 Å²	99	63.9 Å²	63.9	61%	0.607	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.5	149.4	-179.8	53.3	0	0	0	0	112.1	V598 Q603	V598-T605 CarbonylContact O-C 3.12Å; V598-T605 VanDerWaalsContact O-CA 3.22Å; V598-T605 WeakPolarHBondContact O-CA 3.16Å; Q603-T605 PolarHBondContact O-N 2.91Å
606	Q	71.9	Confident	77.5	Confident	49 Å²	49	69.9 Å²	69.9	23%	0.229	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	139	166.7	-69.3	-164.9	9.3	0	0	110.2	T597 V598	T597-Q606 CarbonylContact C-O 3.31Å; T597-Q606 VanDerWaalsContact CA-O 3.29Å; T597-Q606 WeakPolarHBondContact CA-O 3.09Å; V598-Q606 HydrophobicContact CG2-CB 4.12Å; V598-Q606 PolarHBondContact N-O 2.84Å; V598-Q606 PolarHBondContact O-N 2.85Å
607	K	81.9	Confident	76.6	Confident	120 Å²	120	72 Å²	72	52%	0.522	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	133.2	179	-171.8	-171.3	-171.2	-131.8	0	109.7	C595 L596 C609	C595-K607 HydrophobicContact CB-CG 4.5Å; C595-K607 WeakPolarHBondContact SG-CE 3.25Å; C595-K607 PolarHBondContact SG-NZ 2.74Å; L596-K607 CarbonylContact O-C 3.58Å; L596-K607 WeakPolarHBondContact O-CA 3.44Å; K607-C609 WeakPolarHBondContact CE-SG 3.28Å; K607-C609 PolarHBondContact NZ-SG 2.77Å
608	S	84.2	Confident	75.4	Confident	12 Å²	12	74.6 Å²	74.6	8%	0.084	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	131.3	176	-157.1	0	0	0	0	108.7	L527 K528 I529 C595 L596	L527-S608 VanDerWaalsContact O-CB 3.3Å; L527-S608 WeakPolarHBondContact O-CB 3.45Å; L527-S608 PolarHBondContact O-OG 2.82Å; K528-S608 WeakPolarHBondContact CA-OG 3.16Å; I529-S608 PolarHBondContact N-OG 3.02Å; C595-S608 CarbonylContact C-O 3.46Å; C595-S608 WeakPolarHBondContact CA-O 3.38Å; L596-S608 PolarHBondContact N-O 2.99Å; L596-S608 PolarHBondContact O-N 2.82Å
609	C	86.5	Confident	73.9	Confident	50 Å²	50	84.8 Å²	84.8	34%	0.338	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	150.3	-172.6	-57.7	0	0	0	0	112.6	E593 V594 C595 K607	E593-C609 HydrophobicContact CG-CB 4.37Å; V594-C609 CarbonylContact O-C 3.5Å; V594-C609 VanDerWaalsContact O-CA 3.27Å; V594-C609 WeakPolarHBondContact O-CA 3.47Å; C595-C609 HydrophobicContact CB-CB 4.14Å; C595-C609 WeakPolarHBondContact CB-SG 3.46Å; C595-C609 WeakPolarHBondContact SG-CB 3.32Å; C595-C609 CovalentContact SG-SG 2.04Å; C595-C609 PolarHBondContact SG-SG 3.29Å; K607-C609 WeakPolarHBondContact CE-SG 3.28Å; K607-C609 PolarHBondContact NZ-SG 2.77Å
610	V	87.6	Confident	72.4	Confident	32 Å²	32	88.3 Å²	88.3	19%	0.194	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	137.4	174.3	62.4	0	0	0	0	110.5	I529 V531 V594	I529-V610 HydrophobicContact CD1-CG1 4.25Å; I529-V610 HydrophobicContact CG1-CG1 4.17Å; I529-V610 HydrophobicContact CG2-CB 4.09Å; I529-V610 HydrophobicContact CG2-CG1 3.93Å; V531-V610 HydrophobicContact CG2-CG1 4.05Å; V531-V610 HydrophobicContact CG2-CG2 3.99Å; V594-V610 HydrophobicContact CB-CG1 4.23Å; V594-V610 PolarHBondContact N-O 2.87Å; V594-V610 PolarHBondContact O-N 3.02Å
611	N	90.5	Very high	71	Confident	120 Å²	120	95.2 Å²	95.2	64%	0.642	51%	0.513	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.8	139.5	175.9	-66.1	1.8	0	0	0	109.9	Y592	Y592-N611 WeakPolarHBondContact O-CA 3.33Å
612	V	88.3	Confident	70	Confident	14 Å²	14	97 Å²	97	9%	0.085	52%	0.524	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	134.1	-169	53.4	0	0	0	0	112.6	V531 T534 I539 Y592 V594	V531-V612 HydrophobicContact CG1-CG2 4.06Å; V531-V612 HydrophobicContact CG2-CB 3.84Å; V531-V612 HydrophobicContact CG2-CG1 4.34Å; V531-V612 HydrophobicContact CG2-CG2 3.77Å; T534-V612 HydrophobicContact CG2-CG2 3.5Å; T534-V612 VanDerWaalsContact CG2-CG2 3.5Å; I539-V612 HydrophobicContact CD1-CB 4.31Å; I539-V612 HydrophobicContact CD1-CG1 3.65Å; I539-V612 HydrophobicContact CD1-CG2 3.77Å; I539-V612 HydrophobicContact CG1-CG2 4.4Å; I539-V612 HydrophobicContact CG2-CG1 4.37Å; I539-V612 HydrophobicContact CG2-CG2 4.07Å; Y592-V612 PolarHBondContact N-O 2.93Å; Y592-V612 PolarHBondContact O-N 3.14Å; V594-V612 HydrophobicContact CG2-CG1 3.75Å
613	T	88.9	Confident	69.1	Low	73 Å²	73	96.7 Å²	96.7	45%	0.448	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	134.3	175.8	-35.5	0	0	0	0	110.7	T590 D591	T590-T613 WeakPolarHBondContact O-CA 3.25Å; D591-T613 VanDerWaalsContact OD1-CB 3.29Å; D591-T613 WeakPolarHBondContact OD1-CB 3.37Å; D591-T613 VanDerWaalsContact OD1-CG2 3.24Å; D591-T613 WeakPolarHBondContact OD1-CG2 3.39Å; D591-T613 PolarHBondContact OD1-OG1 3.16Å
614	T	87.8	Confident	68	Low	4 Å²	4	93.4 Å²	93.4	3%	0.025	52%	0.522	C	S	.	.	P	Polyproline II helix	trans	-72.4	155.2	167.8	52.9	0	0	0	0	111.5	I539 L586 Q587 P588 S589 T590 Y592	I539-T614 HydrophobicContact CD1-CG2 3.88Å; I539-T614 HydrophobicContact CG1-CG2 4.05Å; L586-T614 HydrophobicContact CB-CG2 3.95Å; L586-T614 HydrophobicContact CD1-CG2 4.22Å; Q587-T614 WeakPolarHBondContact O-CB 3.46Å; Q587-T614 WeakPolarHBondContact O-CG2 3.45Å; Q587-T614 PolarHBondContact O-OG1 3.3Å; P588-T614 VanDerWaalsContact C-OG1 3.27Å; P588-T614 WeakPolarHBondContact CA-OG1 3.31Å; S589-T614 WeakPolarHBondContact CA-O 3.33Å; S589-T614 PolarHBondContact N-O 2.81Å; S589-T614 PolarHBondContact N-OG1 3.25Å; T590-T614 PolarHBondContact N-OG1 3.01Å; T590-T614 PolarHBondContact O-N 3.4Å; T590-T614 PolarHBondContact O-OG1 3.24Å; Y592-T614 HydrophobicContact CD2-CG2 4.22Å; Y592-T614 HydrophobicContact CE2-CG2 3.94Å
615	K	86.8	Confident	66.9	Low	113 Å²	113	94.1 Å²	94.1	49%	0.491	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-76.5	162.5	176.5	-67	175.6	178.7	155.9	0	111.2	T534 E535 S536 P588 S589	T534-K615 WeakPolarHBondContact O-CD 3.46Å; T534-K615 WeakPolarHBondContact O-CE 3.44Å; T534-K615 PolarHBondContact O-NZ 2.99Å; T534-K615 WeakPolarHBondContact OG1-CE 3.34Å; E535-K615 PolarHBondContact O-N 2.84Å; S536-K615 WeakPolarHBondContact CA-O 3.01Å; P588-K615 WeakPolarHBondContact CA-O 3.37Å; P588-K615 WeakPolarHBondContact CB-O 3.21Å; S589-K615 PolarHBondContact N-O 2.94Å
616	N	81	Confident	65.5	Low	126 Å²	126	97.4 Å²	97.4	67%	0.674	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-67.8	143.1	172.2	-59.1	37.2	0	0	0	110.2	A618	N616-A618 PolarHBondContact O-N 2.94Å; N616-A618 VanDerWaalsContact O-N 3.09Å
617	A	68.7	Low	64.1	Low	45 Å²	45	104.4 Å²	104.4	37%	0.372	57%	0.572	S	S	.	*			trans	-79.7	89.6	175.5	0	0	0	0	0	111.4	P588 F619	P588-A617 HydrophobicContact CB-CB 3.86Å; P588-A617 HydrophobicContact CG-CB 3.59Å; A617-F619 PolarHBondContact O-N 2.76Å
618	A	57.9	Low	62.3	Low	92 Å²	92	104.6 Å²	104.6	76%	0.76	58%	0.583	S	S	*	*			trans	-71.8	120.1	165.8	0	0	0	0	0	110	N616 A620	N616-A618 PolarHBondContact O-N 2.94Å; N616-A618 VanDerWaalsContact O-N 3.09Å; A618-A620 PolarHBondContact O-N 2.93Å
619	F	47.1	Very low	60.6	Low	218 Å²	218	107.9 Å²	107.9	96%	0.956	61%	0.606	S	S	*	*			trans	-71.1	96.2	166.4	-99.8	-93.4	0	0	0	109.1	A617	A617-F619 PolarHBondContact O-N 2.76Å
620	A	42.3	Very low	59.1	Low	90 Å²	90	111.7 Å²	111.7	74%	0.744	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-92.8	125.4	169.2	0	0	0	0	0	109.6	A618	A618-A620 PolarHBondContact O-N 2.93Å
621	L	38.5	Very low	57.6	Low	168 Å²	168	113.2 Å²	113.2	88%	0.88	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-75.7	127.6	161.7	-85.3	163.3	0	0	0	107.8	I623	L621-I623 PolarHBondContact O-N 2.78Å
622	D	39.3	Very low	55.9	Low	154 Å²	154	113.2 Å²	113.2	82%	0.824	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-71.5	119.6	-178	-166.7	13	0	0	0	110.5
623	I	37	Very low	54.5	Low	141 Å²	141	115.8 Å²	115.8	72%	0.723	67%	0.666	S	S	*	*			trans	-126.5	109.8	170.5	-63.2	-178.1	0	0	0	106.3	L621 D625	L621-I623 PolarHBondContact O-N 2.78Å; I623-D625 PolarHBondContact O-N 2.88Å; I623-D625 VanDerWaalsContact O-N 3.09Å
624	S	34.8	Very low	53.1	Low	103 Å²	103	115.7 Å²	115.7	72%	0.72	67%	0.672	S	S	*	*			trans	-71.2	101.1	178.1	-174	0	0	0	0	110.3	Q626	S624-Q626 VanDerWaalsContact C-N 3.3Å; S624-Q626 PolarHBondContact O-N 2.92Å
625	D	36.9	Very low	52	Low	154 Å²	154	119.9 Å²	119.9	82%	0.824	70%	0.698	S	S	*	*			trans	-73.1	86.5	167.6	-98.1	-28.7	0	0	0	109.7	I623	I623-D625 PolarHBondContact O-N 2.88Å; I623-D625 VanDerWaalsContact O-N 3.09Å
626	Q	37.2	Very low	50.9	Low	167 Å²	167	120.1 Å²	120.1	78%	0.78	70%	0.702	S	S	*	*			trans	-73.8	136.8	168	-171.8	172.8	4.1	0	0	109.8	S624 T628	S624-Q626 VanDerWaalsContact C-N 3.3Å; S624-Q626 PolarHBondContact O-N 2.92Å; Q626-T628 PolarHBondContact O-N 2.96Å; Q626-T628 VanDerWaalsContact O-N 3.15Å
627	E	42.8	Very low	50.2	Low	197 Å²	197	116.3 Å²	116.3	92%	0.921	69%	0.692	S	S	*	*			trans	-49.1	117	-170.1	-63.2	-175.2	131.4	0	0	113.7	S629	E627-S629 PolarHBondContact O-N 2.66Å
628	T	43.8	Very low	50.2	Low	123 Å²	123	117.6 Å²	117.6	76%	0.755	70%	0.698	S	S	*	*			trans	-86.3	111.7	-174	42	0	0	0	0	112.3	Q626 T630	Q626-T628 PolarHBondContact O-N 2.96Å; Q626-T628 VanDerWaalsContact O-N 3.15Å; T628-T630 PolarHBondContact O-N 2.72Å
629	S	48.6	Very low	50.6	Low	81 Å²	81	118.5 Å²	118.5	57%	0.566	69%	0.688	S	S	*	*			trans	-60.6	123	173.2	-173.7	0	0	0	0	111.3	E627 A631 L632	E627-S629 PolarHBondContact O-N 2.66Å; S629-A631 PolarHBondContact O-N 3.44Å; S629-L632 PolarHBondContact O-N 3.31Å; S629-L632 VanDerWaalsContact O-N 3.15Å
630	T	56.2	Low	51.6	Low	130 Å²	130	114.6 Å²	114.6	80%	0.798	67%	0.671	S	S	*	*	H	α-helix	trans	-61.3	-16.3	-169.9	51.2	0	0	0	0	114.8	T628 L632	T628-T630 PolarHBondContact O-N 2.72Å; T630-L632 PolarHBondContact O-N 2.82Å
631	A	55.2	Low	53	Low	65 Å²	65	112.9 Å²	112.9	54%	0.537	66%	0.657	S	S	.	*	H	α-helix	trans	-65.4	-33.4	175.4	0	0	0	0	0	113.7	S629	S629-A631 PolarHBondContact O-N 3.44Å
632	L	55.3	Low	54.5	Low	120 Å²	120	109.6 Å²	109.6	63%	0.628	64%	0.644	S	S	*	*	H	α-helix	trans	-74.6	-33.4	-174	-73.8	168	0	0	0	113.1	S629 T630 A634 V635 M636	S629-L632 PolarHBondContact O-N 3.31Å; S629-L632 VanDerWaalsContact O-N 3.15Å; T630-L632 PolarHBondContact O-N 2.82Å; L632-A634 VanDerWaalsContact C-N 3.35Å; L632-A634 PolarHBondContact O-N 3.09Å; L632-V635 PolarHBondContact O-N 2.89Å; L632-M636 PolarHBondContact O-N 3.3Å; L632-M636 VanDerWaalsContact O-N 3.15Å
633	A	58.1	Low	56	Low	67 Å²	67	106.4 Å²	106.4	55%	0.554	63%	0.626	S	S	*	*	H	α-helix	trans	-62.4	-39.7	-179.8	0	0	0	0	0	112.6	V635 M636 G637	A633-V635 PolarHBondContact O-N 3.09Å; A633-M636 PolarHBondContact O-N 2.91Å; A633-G637 PolarHBondContact O-N 3.44Å
634	A	60.3	Low	57.6	Low	71 Å²	71	102.6 Å²	102.6	59%	0.587	61%	0.612	S	S	*	*	H	α-helix	trans	-65.7	-35.8	179.1	0	0	0	0	0	112.9	L632 S638	L632-A634 VanDerWaalsContact C-N 3.35Å; L632-A634 PolarHBondContact O-N 3.09Å; A634-S638 PolarHBondContact O-N 3.02Å; A634-S638 PolarHBondContact O-OG 3.46Å
635	V	64.6	Low	59.3	Low	92 Å²	92	103.8 Å²	103.8	56%	0.558	61%	0.609	S	S	*	*	H	α-helix	trans	-73.1	-39	178.2	-177.4	0	0	0	0	110.8	L632 A633 S638 M639	L632-V635 PolarHBondContact O-N 2.89Å; A633-V635 PolarHBondContact O-N 3.09Å; V635-S638 PolarHBondContact O-OG 3.24Å; V635-M639 WeakPolarHBondContact O-CG 3.05Å; V635-M639 PolarHBondContact O-N 3.29Å
636	M	63.4	Low	60.7	Low	119 Å²	119	99.1 Å²	99.1	59%	0.586	59%	0.592	S	S	*	*	H	α-helix	trans	-69.3	-40	175	-68.6	-163.7	-70.8	0	0	112.8	L632 A633 S638 M639 F640	L632-M636 PolarHBondContact O-N 3.3Å; L632-M636 VanDerWaalsContact O-N 3.15Å; A633-M636 PolarHBondContact O-N 2.91Å; M636-S638 PolarHBondContact O-N 2.83Å; M636-M639 PolarHBondContact O-N 3.21Å; M636-F640 PolarHBondContact O-N 2.96Å
637	G	66.8	Low	62.2	Low	45 Å²	45	94.5 Å²	94.5	46%	0.464	58%	0.578	S	S	.	*	H	α-helix	trans	-60.5	-41.1	178.5	0	0	0	0	0	113.5	A633 F640 A641	A633-G637 PolarHBondContact O-N 3.44Å; G637-F640 PolarHBondContact O-N 3.09Å; G637-A641 PolarHBondContact O-N 2.95Å
638	S	67.6	Low	63.6	Low	72 Å²	72	89.8 Å²	89.8	50%	0.503	56%	0.558	S	S	.	*	H	α-helix	trans	-68.8	-38.3	176.7	46.9	0	0	0	0	112.8	A634 V635 M636 A641 V642	A634-S638 PolarHBondContact O-N 3.02Å; A634-S638 PolarHBondContact O-OG 3.46Å; V635-S638 PolarHBondContact O-OG 3.24Å; M636-S638 PolarHBondContact O-N 2.83Å; S638-A641 PolarHBondContact O-N 2.04Å; S638-V642 PolarHBondContact O-N 3.19Å
639	M	67.8	Low	64.5	Low	111 Å²	111	86.9 Å²	86.9	55%	0.547	55%	0.547	S	S	.	.	H	α-helix	trans	-64.8	-40.5	173	-72.3	-64.9	-68.9	0	0	113	V635 M636 A641 V642 I643	V635-M639 WeakPolarHBondContact O-CG 3.05Å; V635-M639 PolarHBondContact O-N 3.29Å; M636-M639 PolarHBondContact O-N 3.21Å; M639-A641 VanDerWaalsContact C-N 3.32Å; M639-A641 PolarHBondContact O-N 3.09Å; M639-V642 PolarHBondContact O-N 2.81Å; M639-I643 WeakPolarHBondContact O-CG1 3.49Å; M639-I643 PolarHBondContact O-N 3.02Å; M639-I643 VanDerWaalsContact O-N 3.08Å
640	F	67.9	Low	65.4	Low	137 Å²	137	87.1 Å²	87.1	60%	0.601	54%	0.544	S	S	*	.	H	α-helix	trans	-63.7	-34.4	178.1	-101.4	-85.6	0	0	0	113.3	M636 G637 I643 S644	M636-F640 PolarHBondContact O-N 2.96Å; G637-F640 PolarHBondContact O-N 3.09Å; F640-I643 PolarHBondContact O-N 2.8Å; F640-S644 WeakPolarHBondContact O-CB 3.39Å; F640-S644 PolarHBondContact O-N 2.61Å; F640-S644 PolarHBondContact O-OG 2.8Å
641	A	70.3	Confident	66.1	Low	54 Å²	54	87.6 Å²	87.6	45%	0.446	53%	0.533	S	S	.	.	H	α-helix	trans	-63	-44.3	175.1	0	0	0	0	0	111.8	G637 S638 M639 S644 L645	G637-A641 PolarHBondContact O-N 2.95Å; S638-A641 PolarHBondContact O-N 2.04Å; M639-A641 VanDerWaalsContact C-N 3.32Å; M639-A641 PolarHBondContact O-N 3.09Å; A641-S644 PolarHBondContact O-N 3.08Å; A641-L645 WeakPolarHBondContact O-CG 3.49Å; A641-L645 PolarHBondContact O-N 3.21Å; A641-L645 VanDerWaalsContact O-N 3.14Å
642	V	70.3	Confident	66.4	Low	98 Å²	98	90.9 Å²	90.9	59%	0.594	54%	0.535	S	S	*	.	H	α-helix	trans	-64.4	-45.1	178	177.5	0	0	0	0	111.3	S638 M639 S644 L645 A646	S638-V642 PolarHBondContact O-N 3.19Å; M639-V642 PolarHBondContact O-N 2.81Å; V642-S644 VanDerWaalsContact C-N 3.33Å; V642-S644 PolarHBondContact O-N 2.56Å; V642-L645 PolarHBondContact O-N 2.78Å; V642-A646 PolarHBondContact O-N 3.37Å; V642-A646 VanDerWaalsContact O-N 3.09Å
643	I	71.4	Confident	66.4	Low	88 Å²	88	88.6 Å²	88.6	45%	0.451	53%	0.533	S	S	.	.	H	α-helix	trans	-64.5	-36.8	178.3	-66.4	166.2	0	0	0	111.6	M639 F640 A646 S647	M639-I643 WeakPolarHBondContact O-CG1 3.49Å; M639-I643 PolarHBondContact O-N 3.02Å; M639-I643 VanDerWaalsContact O-N 3.08Å; F640-I643 PolarHBondContact O-N 2.8Å; I643-A646 PolarHBondContact O-N 3.39Å; I643-S647 WeakPolarHBondContact O-CB 3.39Å; I643-S647 PolarHBondContact O-N 2.97Å; I643-S647 PolarHBondContact O-OG 2.85Å
644	S	71.4	Confident	66.4	Low	61 Å²	61	93.3 Å²	93.3	43%	0.427	54%	0.541	S	S	.	.	H	α-helix	trans	-65.3	-45.1	177.3	-60	0	0	0	0	112	F640 A641 V642 S647 I648	F640-S644 WeakPolarHBondContact O-CB 3.39Å; F640-S644 PolarHBondContact O-N 2.61Å; F640-S644 PolarHBondContact O-OG 2.8Å; A641-S644 PolarHBondContact O-N 3.08Å; V642-S644 VanDerWaalsContact C-N 3.33Å; V642-S644 PolarHBondContact O-N 2.56Å; S644-S647 PolarHBondContact O-N 3.28Å; S644-I648 WeakPolarHBondContact O-CG1 3.26Å; S644-I648 PolarHBondContact O-N 3.29Å; S644-I648 VanDerWaalsContact O-N 3.14Å
645	L	68.9	Low	65.8	Low	127 Å²	127	98.7 Å²	98.7	67%	0.665	55%	0.547	S	S	*	.	H	α-helix	trans	-63.4	-42.2	177	-70.6	168.6	0	0	0	112	A641 V642 S647 I648 A649	A641-L645 WeakPolarHBondContact O-CG 3.49Å; A641-L645 PolarHBondContact O-N 3.21Å; A641-L645 VanDerWaalsContact O-N 3.14Å; V642-L645 PolarHBondContact O-N 2.78Å; L645-S647 VanDerWaalsContact C-N 3.33Å; L645-S647 PolarHBondContact O-N 2.82Å; L645-I648 PolarHBondContact O-N 2.91Å; L645-A649 PolarHBondContact O-N 2.87Å
646	A	67.5	Low	64.9	Low	56 Å²	56	103.8 Å²	103.8	46%	0.463	56%	0.562	S	S	.	*	H	α-helix	trans	-61.5	-39.6	173.9	0	0	0	0	0	112.5	V642 I643 I648 A649 V650	V642-A646 PolarHBondContact O-N 3.37Å; V642-A646 VanDerWaalsContact O-N 3.09Å; I643-A646 PolarHBondContact O-N 3.39Å; A646-I648 PolarHBondContact O-N 2.02Å; A646-A649 PolarHBondContact O-N 3.47Å; A646-V650 WeakPolarHBondContact O-CG2 3.31Å; A646-V650 PolarHBondContact O-N 3.1Å; A646-V650 VanDerWaalsContact O-N 3.14Å
647	S	69	Low	63.8	Low	70 Å²	70	106.7 Å²	106.7	49%	0.49	57%	0.571	S	S	.	*	H	α-helix	trans	-65.6	-37.8	-179.7	-60.8	0	0	0	0	112.7	I643 S644 L645 V650 Y651	I643-S647 WeakPolarHBondContact O-CB 3.39Å; I643-S647 PolarHBondContact O-N 2.97Å; I643-S647 PolarHBondContact O-OG 2.85Å; S644-S647 PolarHBondContact O-N 3.28Å; L645-S647 VanDerWaalsContact C-N 3.33Å; L645-S647 PolarHBondContact O-N 2.82Å; S647-V650 PolarHBondContact O-N 2.88Å; S647-Y651 PolarHBondContact O-N 3.06Å
648	I	71.1	Confident	62.4	Low	98 Å²	98	115.6 Å²	115.6	50%	0.503	59%	0.59	S	S	.	*	H	α-helix	trans	-64.9	-42.5	176.3	-67.2	165	0	0	0	110.7	S644 L645 A646 V650 Y651 F652	S644-I648 WeakPolarHBondContact O-CG1 3.26Å; S644-I648 PolarHBondContact O-N 3.29Å; S644-I648 VanDerWaalsContact O-N 3.14Å; L645-I648 PolarHBondContact O-N 2.91Å; A646-I648 PolarHBondContact O-N 2.02Å; I648-V650 VanDerWaalsContact C-N 3.35Å; I648-V650 PolarHBondContact O-N 3.45Å; I648-Y651 WeakPolarHBondContact O-CB 3.42Å; I648-Y651 PolarHBondContact O-N 3.1Å; I648-F652 HydrophobicContact CG2-CD2 4.07Å; I648-F652 HydrophobicContact CG2-CE2 3.93Å; I648-F652 WeakPolarHBondContact O-CD2 3.5Å; I648-F652 PolarHBondContact O-N 3.24Å
649	A	63.7	Low	60.9	Low	62 Å²	62	121.3 Å²	121.3	51%	0.512	61%	0.606	S	S	.	*	H	α-helix	trans	-60.6	-42	175.3	0	0	0	0	0	112.3	L645 A646 Y651 F652 A653	L645-A649 PolarHBondContact O-N 2.87Å; A646-A649 PolarHBondContact O-N 3.47Å; A649-Y651 VanDerWaalsContact C-N 3.35Å; A649-Y651 PolarHBondContact O-N 3.38Å; A649-F652 PolarHBondContact O-N 3.16Å; A649-A653 PolarHBondContact O-N 3.2Å; A649-A653 VanDerWaalsContact O-N 3.09Å
650	V	66.3	Low	59.4	Low	86 Å²	86	122.7 Å²	122.7	52%	0.521	62%	0.616	S	S	.	*	H	α-helix	trans	-65.8	-35.1	176.2	173.1	0	0	0	0	112.2	A646 S647 I648 A653 K654	A646-V650 WeakPolarHBondContact O-CG2 3.31Å; A646-V650 PolarHBondContact O-N 3.1Å; A646-V650 VanDerWaalsContact O-N 3.14Å; S647-V650 PolarHBondContact O-N 2.88Å; I648-V650 VanDerWaalsContact C-N 3.35Å; I648-V650 PolarHBondContact O-N 3.45Å; V650-A653 PolarHBondContact O-N 2.97Å; V650-K654 PolarHBondContact O-N 2.97Å
651	Y	71.1	Confident	57.7	Low	141 Å²	141	127.1 Å²	127.1	55%	0.553	63%	0.63	S	S	*	*	H	α-helix	trans	-63.2	-47.3	176.8	-178.8	-97.9	0	0	0	112.1	S647 I648 A649 A653 K654 R655	S647-Y651 PolarHBondContact O-N 3.06Å; I648-Y651 WeakPolarHBondContact O-CB 3.42Å; I648-Y651 PolarHBondContact O-N 3.1Å; A649-Y651 VanDerWaalsContact C-N 3.35Å; A649-Y651 PolarHBondContact O-N 3.38Å; Y651-A653 PolarHBondContact O-N 3.43Å; Y651-K654 PolarHBondContact O-N 3.08Å; Y651-R655 PolarHBondContact O-N 3.03Å; Y651-R655 VanDerWaalsContact O-N 3.14Å
652	F	60.7	Low	55.9	Low	134 Å²	134	132.8 Å²	132.8	59%	0.588	65%	0.647	S	S	*	*	H	α-helix	trans	-64.1	-38.7	175	-78	-74.4	0	0	0	112.4	I648 A649 K654 R655	I648-F652 HydrophobicContact CG2-CD2 4.07Å; I648-F652 HydrophobicContact CG2-CE2 3.93Å; I648-F652 WeakPolarHBondContact O-CD2 3.5Å; I648-F652 PolarHBondContact O-N 3.24Å; A649-F652 PolarHBondContact O-N 3.16Å; F652-K654 PolarHBondContact O-N 3.3Å; F652-R655 PolarHBondContact O-N 3.01Å
653	A	55.9	Low	54.1	Low	71 Å²	71	136.4 Å²	136.4	59%	0.587	66%	0.657	S	S	*	*	H	α-helix	trans	-64	-35.4	175.5	0	0	0	0	0	113.5	A649 V650 Y651	A649-A653 PolarHBondContact O-N 3.2Å; A649-A653 VanDerWaalsContact O-N 3.09Å; V650-A653 PolarHBondContact O-N 2.97Å; Y651-A653 PolarHBondContact O-N 3.43Å
654	K	57.5	Low	52.4	Low	167 Å²	167	136 Å²	136	73%	0.726	66%	0.662	S	S	*	*	H	α-helix	trans	-74	-32.8	176.4	-97.7	179.8	173.6	175.9	0	113.4	V650 Y651 F652 F656 K657	V650-K654 PolarHBondContact O-N 2.97Å; Y651-K654 PolarHBondContact O-N 3.08Å; F652-K654 PolarHBondContact O-N 3.3Å; K654-F656 PolarHBondContact O-N 2.85Å; K654-F656 VanDerWaalsContact O-N 3.09Å; K654-K657 PolarHBondContact O-N 3.32Å
655	R	48.8	Very low	50.5	Low	184 Å²	184	139.6 Å²	139.6	69%	0.694	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	-11.5	-176.7	-164.8	165.3	177.2	163.4	-4.6	114.3	Y651 F652	Y651-R655 PolarHBondContact O-N 3.03Å; Y651-R655 VanDerWaalsContact O-N 3.14Å; F652-R655 PolarHBondContact O-N 3.01Å
656	F	45.8	Very low	48.7	Very low	199 Å²	199	142.7 Å²	142.7	87%	0.873	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	0.2	-178.4	-111.9	-85.9	0	0	0	116.2	K654	K654-F656 PolarHBondContact O-N 2.85Å; K654-F656 VanDerWaalsContact O-N 3.09Å
657	K	40.6	Very low	47	Very low	179 Å²	179	148.5 Å²	148.5	78%	0.778	70%	0.699	S	S	*	*	S	Bend	trans	-122.7	109.2	-178.9	-90.8	-179	174.7	172.6	0	113.6	K654	K654-K657 PolarHBondContact O-N 3.32Å
658	R	37.3	Very low	45.1	Very low	232 Å²	232	156 Å²	156	88%	0.875	72%	0.718	S	S	*	*			trans	65.7	123	166	-60.3	173.8	178.3	170.2	-3.2	114.3
659	K	36.7	Very low	43.1	Very low	193 Å²	193	157.7 Å²	157.7	84%	0.839	73%	0.725	S	S	*	*			cis	55.3	119.5	13.6	-93.5	-170.2	175.1	-175.9	0	115.6
660	N	34.9	Very low	41.6	Very low	140 Å²	140	162.4 Å²	162.4	75%	0.749	74%	0.737	S	S	*	*			trans	71.4	124.5	-175.6	-43.6	-4.1	0	0	0	110.9
661	Y	33.4	Very low	39.9	Very low	230 Å²	230	167.5 Å²	167.5	90%	0.902	75%	0.752	S	S	*	*			cis	-134.8	178.7	37.7	-110	-102.6	0	0	0	115.3
662	H	31.9	Very low	37.8	Very low	173 Å²	173	166.9 Å²	166.9	80%	0.801	76%	0.763	S	S	*	*			trans	-125.3	165.1	-175.7	-122	-42.9	0	0	0	111.2
663	H	32.8	Very low	36.5	Very low	174 Å²	174	165.3 Å²	165.3	81%	0.806	77%	0.769	S	S	*	*			trans	69	152.4	168.9	-108	48.1	0	0	0	115.1
664	S	34.6	Very low	35.4	Very low	80 Å²	80	166.6 Å²	166.6	56%	0.559	77%	0.773	S	S	*	*			cis	-162.9	-179	-11.6	-136	0	0	0	0	108.2
665	L	31.1	Very low	34.2	Very low	136 Å²	136	166.3 Å²	166.3	71%	0.712	78%	0.778	S	S	*	*			cis	-148.7	146.2	9.1	-177.2	63.3	0	0	0	112.2	K667	L665-K667 PolarHBondContact O-N 2.99Å
666	K	32.4	Very low	33.9	Very low	191 Å²	191	163.4 Å²	163.4	83%	0.83	78%	0.783	S	S	*	*			trans	-51.8	106.8	163.1	170.3	-170.6	177.4	-179.7	0	113.5
667	K	30.6	Very low	33.3	Very low	179 Å²	179	161.7 Å²	161.7	78%	0.778	78%	0.782	S	S	*	*			trans	-161.7	90.7	166.7	-132.7	-177.1	-171.9	-174.4	0	115.6	L665	L665-K667 PolarHBondContact O-N 2.99Å
668	Y	31.1	Very low	32.7	Very low	227 Å²	227	159 Å²	159	89%	0.89	78%	0.777	S	S	*	*				-173.5	147.9	121.6	-117.8	-92	0	0	0	109.8
669	M	27.4	Very low	32.3	Very low	134 Å²	134	155.3 Å²	155.3	66%	0.66	77%	0.769	S	S	*	*			trans	-142.3	139.1	-173.9	-78.5	174.7	57.9	0	0	111.5
670	Q	32.2	Very low	32.2	Very low	160 Å²	160	154 Å²	154	75%	0.748	77%	0.771	S	S	*	*			trans	58	156.8	141	-64.8	179	-23	0	0	121.5
671	K	30.6	Very low	31.8	Very low	193 Å²	193	158 Å²	158	84%	0.839	78%	0.777	S	S	*	*			trans	72.5	137.5	176.5	-57.4	-175.8	176.2	-175.8	0	113.5
672	T	28.3	Very low	32.2	Very low	129 Å²	129	152.7 Å²	152.7	79%	0.791	77%	0.77	S	S	*	*			cis	-152.1	177.1	4.7	-4.9	0	0	0	0	108.2
673	S	32.7	Very low	32.4	Very low	101 Å²	101	150.4 Å²	150.4	71%	0.706	77%	0.771	S	S	*	*			cis	-160.1	178.3	12	20.5	0	0	0	0	113
674	S	32.7	Very low	32.2	Very low	97 Å²	97	150.2 Å²	150.2	68%	0.678	78%	0.775	S	S	*	*			trans	-12.8	141.9	164.7	54.6	0	0	0	0	121.7
675	I	32.7	Very low	32	Very low	161 Å²	161	153.7 Å²	153.7	83%	0.826	79%	0.785	S	S	*	*			cis	71.8	138.6	47	-64.4	171.7	0	0	0	111.4
676	P	42.1	Very low	32	Very low	124 Å²	124	152.4 Å²	152.4	81%	0.805	78%	0.779	S	S	*	*			cis	-130.2	-177.9	21.1	28.6	-5.1	0	0	0	117.8
677	L	33.6	Very low	31.7	Very low	162 Å²	162	150.5 Å²	150.5	85%	0.848	78%	0.777	S	S	*	*			trans	-122.6	138.9	158.2	-174.8	90.1	0	0	0	107.2
678	N	27.6	Very low	31.7	Very low	124 Å²	124	151 Å²	151	66%	0.663	78%	0.775	S	S	*	*			trans	-166.1	154.7	153.1	-124.2	32	0	0	0	114.4
679	E	29.5	Very low	31.5	Very low	154 Å²	154	148.3 Å²	148.3	72%	0.72	77%	0.77	S	S	*	*			trans	25.4	116.6	152.1	-69.4	147.8	-163.7	0	0	120
680	L	34.1	Very low	31.6	Very low	166 Å²	166	145 Å²	145	87%	0.869	77%	0.77	S	S	*	*				55.4	90	84	-98.4	81.9	0	0	0	115.3
681	Y	25.5	Very low	31.4	Very low	224 Å²	224	145.3 Å²	145.3	88%	0.878	78%	0.777	S	S	*	*			trans	-178.5	136.3	135.7	-111.7	-73.4	0	0	0	111.1
682	P	42.6	Very low	31.3	Very low	118 Å²	118	140.6 Å²	140.6	77%	0.766	77%	0.768	S	S	*	*			trans	-102.1	139.5	163.9	35.6	-29.2	0	0	0	112.1
683	P	37.2	Very low	31.4	Very low	125 Å²	125	142 Å²	142	81%	0.812	77%	0.766	S	S	*	*			trans	-115.5	143.8	166.1	34.7	-24.4	0	0	0	114.1
684	L	28.2	Very low	31.3	Very low	169 Å²	169	144.2 Å²	144.2	89%	0.885	76%	0.763	S	S	*	*			trans	-80.4	175.3	167	-67.6	135	0	0	0	111.6
685	I	30.8	Very low	31.1	Very low	153 Å²	153	145.5 Å²	145.5	79%	0.785	76%	0.762	S	S	*	*			trans	136.2	134.1	155.9	-81.3	169.3	0	0	0	110.6
686	N	29.7	Very low	31.1	Very low	109 Å²	109	145.8 Å²	145.8	58%	0.583	76%	0.757	S	S	*	*			cis	-140.6	-179.8	-0.4	-107.3	-11.8	0	0	0	107.9
687	L	26.4	Very low	30.5	Very low	151 Å²	151	146.7 Å²	146.7	79%	0.791	76%	0.755	S	S	*	*			cis	-134.1	147.1	21.6	-90.6	91.2	0	0	0	109.2
688	W	29.9	Very low	30.2	Very low	191 Å²	191	143 Å²	143	72%	0.723	76%	0.756	S	S	*	*				57.8	124.2	76.2	-73.1	52.3	0	0	0	113.1
689	E	28.1	Very low	30.3	Very low	170 Å²	170	142.7 Å²	142.7	79%	0.794	76%	0.764	S	S	*	*			cis	-145.9	169.7	-2.1	-80.9	156.2	132.5	0	0	107
690	G	29.1	Very low	30.3	Very low	64 Å²	64	139 Å²	139	66%	0.66	76%	0.76	S	S	*	*			cis	174.4	172.8	0.8	0	0	0	0	0	109.8
691	D	27.9	Very low	30.1	Very low	166 Å²	166	138.3 Å²	138.3	89%	0.888	76%	0.757	S	S	*	*			trans	58.8	161	168.9	-63	-17.9	0	0	0	119.8
692	S	28.2	Very low	30.3	Very low	95 Å²	95	134.1 Å²	134.1	66%	0.664	76%	0.755	S	S	*	*			cis	-166.1	149.8	-37	58.5	0	0	0	0	110.3
693	E	30.6	Very low	29.7	Very low	157 Å²	157	137.6 Å²	137.6	73%	0.734	76%	0.758	S	S	*	*			trans	60.1	172.7	166.3	-55.1	-149.7	129.9	0	0	116.9
694	K	30.5	Very low	30	Very low	148 Å²	148	136.7 Å²	136.7	64%	0.643	75%	0.752	S	S	*	*			cis	-158.1	166.3	-34.9	-111.8	176.1	-178.3	149.7	0	110.7
695	D	29	Very low	30.1	Very low	124 Å²	124	135 Å²	135	66%	0.663	75%	0.749	S	S	*	*			trans	56.2	119.8	144.8	-65.6	-15.5	0	0	0	123.9
696	K	31.7	Very low	30.2	Very low	167 Å²	167	136.8 Å²	136.8	73%	0.726	75%	0.754	S	S	*	*				81.6	141	121.6	-75.2	-178.2	166.7	-166.7	0	125
697	D	29.6	Very low	30.1	Very low	144 Å²	144	138.6 Å²	138.6	77%	0.77	77%	0.769	S	S	*	*			trans	48.6	142.7	136.7	-50.1	-26.5	0	0	0	121.6
698	G	28.6	Very low	30.1	Very low	84 Å²	84	138.1 Å²	138.1	87%	0.866	77%	0.767	S	S	*	*			trans	161.6	93.9	163.7	0	0	0	0	0	118.1
699	S	28.5	Very low	30.2	Very low	118 Å²	118	134.4 Å²	134.4	83%	0.825	77%	0.766	S	S	*	*			trans	-77.7	153.4	179.8	178	0	0	0	0	116.5
700	A	30.2	Very low	30.2	Very low	77 Å²	77	132.5 Å²	132.5	64%	0.636	77%	0.771	S	S	*	*			trans	74.5	144.7	147	0	0	0	0	0	123.1
701	D	29.1	Very low	30.1	Very low	150 Å²	150	140.8 Å²	140.8	80%	0.802	78%	0.782	S	S	*	*			trans	45.8	141.1	153.2	-60.3	-37.5	0	0	0	121
702	T	30.7	Very low	30.1	Very low	137 Å²	137	137.6 Å²	137.6	84%	0.84	77%	0.773	S	S	*	*			cis	-158.4	165.9	41.6	-31.6	0	0	0	0	112.8
703	K	30.1	Very low	30.1	Very low	190 Å²	190	142.6 Å²	142.6	83%	0.826	78%	0.779	S	S	*	*			trans	-82.9	176.4	167.5	-89.4	-176.9	-178.8	176.7	0	112.4
704	P	43.2	Very low	29.9	Very low	107 Å²	107	143.9 Å²	143.9	70%	0.695	78%	0.778	S	S	*	*			cis	-137.7	171.5	-34.5	37.8	-22.6	0	0	0	113.8
705	T	30.7	Very low	29.7	Very low	133 Å²	133	144.2 Å²	144.2	82%	0.816	78%	0.784	S	S	*	*			trans	-164.5	154.2	140.5	10.8	0	0	0	0	114.3
706	Q	32.2	Very low	30	Very low	190 Å²	190	153.8 Å²	153.8	89%	0.888	81%	0.811	S	S	*	*			trans	34.8	117.8	159	-70.7	179.3	-44.6	0	0	120.6
707	V	27.7	Very low	29.9	Very low	148 Å²	148	153.2 Å²	153.2	90%	0.897	82%	0.815	S	S	*	*			trans	-111.1	134.4	161	173.3	0	0	0	0	108.1
708	D	26.4	Very low	29.9	Very low	141 Å²	141	153.6 Å²	153.6	75%	0.754	82%	0.818	S	S	*	*			trans	-151.4	155.7	152.9	-158.3	17.2	0	0	0	113.6
709	T	31.5	Very low	30	Very low	113 Å²	113	157.5 Å²	157.5	69%	0.693	82%	0.815	S	S	*	*			trans	9.6	112.5	173.9	55	0	0	0	0	120.4
710	S	27.8	Very low	30	Very low	129 Å²	129	159.8 Å²	159.8	90%	0.902	82%	0.815	S	S	*	*				-168.3	157.8	111.2	40.5	0	0	0	0	113.3
711	R	28.9	Very low	30	Very low	238 Å²	238	165 Å²	165	90%	0.898	83%	0.826	S	S	*	*			trans	-70.3	144.1	-171	-57.8	161.4	168.8	165.2	-6.6	113.1
712	S	27.9	Very low	30.1	Very low	100 Å²	100	166 Å²	166	70%	0.699	83%	0.827	S	S	*	*				160.5	127.1	108.4	-70.4	0	0	0	0	116.4
713	Y	27.1	Very low	30.1	Very low	200 Å²	200	168.1 Å²	168.1	78%	0.784	83%	0.826	S	S	*	*			trans	59.7	124.3	142	-71.9	-59.7	0	0	0	125.9
714	Y	26.3	Very low	30	Very low	183 Å²	183	166.4 Å²	166.4	72%	0.718	83%	0.826	S	S	*	*			trans	73	127.5	137.7	-78.8	-58.9	0	0	0	124.2
715	M	27.3	Very low	29	Very low	155 Å²	155	171.3 Å²	171.3	76%	0.764	84%	0.837	S	S	*	*			trans	64.5	140.1	150.2	-71.9	161.1	176.3	0	0	117.4
716	W	33.8	Very low	28.8	Very low	326 Å²	326	174.8 Å²	174.8	100%	1.235	84%	0.839	S	S	*	*			cis	-101.7	0	17.4	-69.7	58.5	0	0	0	113.8

Retrieved 716 of 716 residues in 357.6 ms (Link to these results)

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