A0A096NPH3_PAPAN Loading...

Membrane-bound transcription factor site-1 protease

AlphaFold DB (A0A0D9S1D8), UniProt , Accession A0A096NPH3, Species PAPAN (Papio anubis, Olive baboon), Gene MBTPS1, Length 1,054 aa.

						>A0A096NPH3_PAPAN|A0A096NPH3|MBTPS1
MTMKLVNIWLLLLVVLLCGKKHLGDRLEKKSFEKAPCPGCSHLTLKVEFSSTVVEYEYIVAFNGYFTAKARNSFISSALKSSEVDNWRIIPRNNPSSDYPSDFEVIQIKEKQKAGLLTLEDHPNIKRVTPQRKVFRSLKYAESDPTVPCNETRWSQKWQSSRPLRRASLSLGSGFWHATGRHSSRRLLRAIPRQVAQTLQADVLWQMGYTGANVRVAVFDTGLSEKHPHFKNVKERTNWTNERTLDDGLGHGTFVAGVIASMRECQGFAPDAELHIFRVFTNNQVSYTSWFLDAFNYAILKKIDVLNLSIGGPDFMDHPFVDKVWELTANNVIMVSAIGNDGPLYGTLNNPADQMDVIGVGGIDFEDNIARFSSRGMTTWELPGGYGRVKPDIVTYGAGVRGSGVKGGCRALSGTSVASPVVAGAVTLLVSTVQKRELVNPASMKQALIASARRLPGVNMFEQGHGKLDLLRAYQILNSYKPQASLSPSYIDLTECPYMWPYCSQPIYYGGMPTVVNVTILNGMGVTGRIVDKPDWQPYLPQNGDNIEVAFSYSSVLWPWSGYLAISISVTKKAASWEGIAQGHVMITVASPAETESKNGAEQTSTVKLPIKVKIIPTPPRSKRVLWDQYHNLRYPPGYFPRDNLRMKNDPLDWNGDHIHTNFRDMYQHLRSMGYFVEVLGAPFTCFDASQYGTLLMVDSEEEYFPEEIAKLRRDVDNGLSLVIFSDWYNTSVMRKVKFYDENTRQWWMPDTGGANIPALNELLSVWNMGFSDGLYEGEFTLANHDMYYASGCSIAKFPEDGVVITQTFKDQGLEVLKQETAVVENVPILGLYQIPAEGGGRIVLYGDSNCLDDSHRQKDCFWLLDALLQYTSYGVTPPSLSHSGNRQRPPSGAGSVTPERMEGNHLHRYSKVLEAHLGDPKPRPLPACPHLSWAKPQPLNETAPSNLWKHQKLLSIDLDKVVLPNFRSNRPQVRPLSPGESGAWDIPGGIMPGRYNQEVGQTIPVFAFLGAMVVLAFFVVQINKAKSRPKRRKPRVKRPQLMQQVHPPKTPSV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	31.1	Very low	35.8	Very low	232 Å²	232	170.7 Å²	170.7	100%	1.143	85%	0.853	S	S	*	*				0	138.2	0	-146.7	169	166.8	0	0	107.4
2	T	33.4	Very low	36	Very low	123 Å²	123	167.2 Å²	167.2	76%	0.755	84%	0.837	S	S	*	*			trans	64.3	97.2	172	60.6	0	0	0	0	118
3	M	34	Very low	35.9	Very low	174 Å²	174	166.8 Å²	166.8	86%	0.857	84%	0.838	S	S	*	*				63.9	114	86.1	-77.6	-174.3	78.6	0	0	115.5
4	K	34	Very low	36.2	Very low	205 Å²	205	162.4 Å²	162.4	89%	0.891	82%	0.824	S	S	*	*				-174.6	118.9	105.3	-96.1	174.7	-176.7	-178.6	0	112.1
5	L	39.3	Very low	36.3	Very low	166 Å²	166	159.7 Å²	159.7	87%	0.869	82%	0.819	S	S	*	*			trans	-90.5	167.3	167.1	-98.7	138.5	0	0	0	109.4
6	V	34.9	Very low	36.2	Very low	122 Å²	122	159.6 Å²	159.6	74%	0.739	82%	0.819	S	S	*	*			trans	85.4	97.7	159.5	-162.5	0	0	0	0	116.2
7	N	39.3	Very low	35.7	Very low	155 Å²	155	158.6 Å²	158.6	83%	0.829	82%	0.815	S	S	*	*			trans	170.7	44.1	135.7	-97.3	-8.8	0	0	0	116.5
8	I	38.7	Very low	35.4	Very low	142 Å²	142	157.1 Å²	157.1	73%	0.728	82%	0.819	S	S	*	*	S	Bend	trans	-139.2	35.7	171.3	-42.9	174.9	0	0	0	112
9	W	34	Very low	34.9	Very low	248 Å²	248	152.6 Å²	152.6	94%	0.939	82%	0.815	S	S	*	*	S	Bend	trans	-115.7	7.9	174.6	-100.6	74.1	0	0	0	114.3
10	L	38.2	Very low	34.6	Very low	162 Å²	162	154.7 Å²	154.7	85%	0.848	82%	0.816	S	S	*	*	S	Bend	trans	-121.8	-5.7	-178.7	-126.4	91.2	0	0	0	116.2
11	L	36.5	Very low	34.2	Very low	149 Å²	149	155.2 Å²	155.2	78%	0.78	81%	0.812	S	S	*	*	S	Bend	trans	-109	-14.2	-177.3	-123.2	92.4	0	0	0	115.2	L13	L11-L13 VanDerWaalsContact C-N 3.3Å; L11-L13 PolarHBondContact O-N 2.63Å
12	L	38.2	Very low	34.1	Very low	128 Å²	128	150.8 Å²	150.8	67%	0.67	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-5.6	-177.3	-110.1	148.6	0	0	0	113.7
13	L	34.9	Very low	33.7	Very low	162 Å²	162	152.8 Å²	152.8	85%	0.848	79%	0.793	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-4.2	-178	-145.9	108.8	0	0	0	114	L11	L11-L13 VanDerWaalsContact C-N 3.3Å; L11-L13 PolarHBondContact O-N 2.63Å
14	V	40	Very low	33.2	Very low	106 Å²	106	147.8 Å²	147.8	64%	0.642	79%	0.787	S	S	*	*	S	Bend	trans	-112.9	-18.3	-171.3	177.8	0	0	0	0	114.1
15	V	37.9	Very low	32.9	Very low	122 Å²	122	144.9 Å²	144.9	74%	0.739	78%	0.781	S	S	*	*	S	Bend	trans	-108	0.5	-172.3	-172.2	0	0	0	0	113.9	L17	V15-L17 PolarHBondContact O-N 2.77Å
16	L	34.1	Very low	32.2	Very low	157 Å²	157	147 Å²	147	82%	0.822	78%	0.777	S	S	*	*	S	Bend	trans	-75.9	5.8	169.2	-95.5	156.6	0	0	0	113.7
17	L	28.6	Very low	31.8	Very low	143 Å²	143	147.6 Å²	147.6	75%	0.749	78%	0.775	S	S	*	*	S	Bend	trans	-98.1	124.7	166.8	-73.8	161.6	0	0	0	109	V15	V15-L17 PolarHBondContact O-N 2.77Å
18	C	29.5	Very low	31.1	Very low	132 Å²	132	148.6 Å²	148.6	89%	0.892	78%	0.775	S	S	*	*			trans	86.8	95.9	167.9	-62	0	0	0	0	118.8
19	G	26.3	Very low	30.4	Very low	72 Å²	72	152 Å²	152	74%	0.742	79%	0.785	S	S	*	*				95.5	100.2	104.6	0	0	0	0	0	119.9
20	K	28.9	Very low	30	Very low	193 Å²	193	149.8 Å²	149.8	84%	0.839	78%	0.782	S	S	*	*				49	129.3	126.5	-82.7	-177.9	178	174.2	0	121.5
21	K	26.9	Very low	29.3	Very low	166 Å²	166	146.4 Å²	146.4	72%	0.722	77%	0.771	S	S	*	*				115	129.4	117.6	-95.5	178.5	168.7	-161.7	0	120.1
22	H	28	Very low	28.8	Very low	140 Å²	140	149.7 Å²	149.7	65%	0.648	78%	0.78	S	S	*	*			trans	87.8	128.2	141.7	-79.8	-62.4	0	0	0	123.6
23	L	25.6	Very low	28.2	Very low	164 Å²	164	152.5 Å²	152.5	86%	0.859	79%	0.789	S	S	*	*			trans	41.9	140.1	145.3	-86.1	83.8	0	0	0	119
24	G	23.3	Very low	28	Very low	70 Å²	70	154.4 Å²	154.4	72%	0.722	79%	0.791	S	S	*	*			cis	164.1	165.9	11.9	0	0	0	0	0	108.7
25	D	26.8	Very low	27.2	Very low	143 Å²	143	153.9 Å²	153.9	77%	0.765	80%	0.798	S	S	*	*			trans	86.9	112.4	163	-85.4	6.4	0	0	0	124.1
26	R	26.1	Very low	26.8	Very low	210 Å²	210	153.6 Å²	153.6	79%	0.792	80%	0.798	S	S	*	*				91.6	111.9	123.7	-80.2	-179.6	-178.9	-165.3	-1	122.3
27	L	25.2	Very low	26.4	Very low	135 Å²	135	152 Å²	152	71%	0.707	80%	0.799	S	S	*	*			trans	94.7	108.4	130.2	-74.1	161.3	0	0	0	120.3
28	E	24.8	Very low	26.5	Very low	177 Å²	177	151.6 Å²	151.6	83%	0.827	81%	0.805	S	S	*	*			trans	71.6	107.9	137.5	-76.1	-177.9	164.5	0	0	121.3
29	K	25.5	Very low	26.8	Very low	212 Å²	212	148.4 Å²	148.4	92%	0.922	79%	0.794	S	S	*	*			trans	-145.5	104.4	142.4	-96	177.6	-175.9	174.7	0	110.5
30	K	23.8	Very low	27.2	Very low	203 Å²	203	148.6 Å²	148.6	88%	0.883	78%	0.784	S	S	*	*			trans	-67.6	154.8	144.8	-84.3	-179.7	176	177.5	0	107.1
31	S	25.3	Very low	27.9	Very low	90 Å²	90	142.7 Å²	142.7	63%	0.629	77%	0.767	S	S	*	*			cis	-175.4	141.7	2.5	41	0	0	0	0	105.6
32	F	24.4	Very low	29.4	Very low	219 Å²	219	139.2 Å²	139.2	96%	0.961	75%	0.753	S	S	*	*			trans	-149.1	84.8	147.6	-103.5	-75.6	0	0	0	107.6
33	E	26.5	Very low	31.6	Very low	186 Å²	186	133.5 Å²	133.5	87%	0.869	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-65.4	132.9	164.1	-77.9	177.4	150.5	0	0	109.2
34	K	29.9	Very low	33.9	Very low	202 Å²	202	128 Å²	128	88%	0.878	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-72.7	124.9	164.1	-75.6	176.1	176.4	175.1	0	107.6
35	A	24.8	Very low	36.3	Very low	96 Å²	96	124.8 Å²	124.8	79%	0.793	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-56.4	127.8	178	0	0	0	0	0	111.3
36	P	28.7	Very low	38.4	Very low	115 Å²	115	123.3 Å²	123.3	75%	0.747	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-70	148.8	169	28.4	-30.6	0	0	0	109.9
37	C	25.9	Very low	40.3	Very low	123 Å²	123	114.5 Å²	114.5	83%	0.831	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-57.7	126.6	168.8	-72.6	0	0	0	0	109	G39	C37-G39 PolarHBondContact O-N 3.1Å
38	P	29.4	Very low	42.4	Very low	135 Å²	135	111.1 Å²	111.1	88%	0.877	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	116.5	175.6	28.8	-29.5	0	0	0	108.6
39	G	35.9	Very low	44.3	Very low	65 Å²	65	105.3 Å²	105.3	67%	0.67	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	111.8	22.4	153.9	0	0	0	0	0	119.5	C37	C37-G39 PolarHBondContact O-N 3.1Å
40	C	35.7	Very low	46.3	Very low	77 Å²	77	97.8 Å²	97.8	52%	0.52	55%	0.549	S	S	.	.			trans	-138.5	68.3	165.6	-78.9	0	0	0	0	111.3	H42	C40-H42 PolarHBondContact O-N 3.3Å
41	S	43.6	Very low	48.5	Very low	69 Å²	69	88.8 Å²	88.8	48%	0.483	51%	0.512	S	S	.	.			trans	-73.9	116.8	154.7	47.5	0	0	0	0	107.6	L43	S41-L43 PolarHBondContact O-N 2.96Å
42	H	58.5	Low	50.4	Low	92 Å²	92	84.9 Å²	84.9	43%	0.426	48%	0.484	S	S	.	.			trans	-77.4	108.5	172.2	-75.4	-88.2	0	0	0	107.5	C40 S143	C40-H42 PolarHBondContact O-N 3.3Å; H42-S143 WeakPolarHBondContact CB-OG 3.3Å; H42-S143 WeakPolarHBondContact O-CB 3.31Å; H42-S143 PolarHBondContact O-N 2.69Å; H42-S143 PolarHBondContact O-OG 3.09Å
43	L	74.6	Confident	52.9	Low	21 Å²	21	75.4 Å²	75.4	11%	0.11	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	121.7	-178.9	-67	167.7	0	0	0	109	S41 Y140 A141 E142 L412 S413	S41-L43 PolarHBondContact O-N 2.96Å; L43-Y140 HydrophobicContact CB-CD1 4.47Å; L43-A141 CarbonylContact C-O 3.33Å; L43-A141 WeakPolarHBondContact CA-O 3.2Å; L43-E142 HydrophobicContact CD2-CG 3.88Å; L43-L412 HydrophobicContact CB-CD2 4.05Å; L43-S413 PolarHBondContact O-N 3.47Å
44	T	72.7	Confident	55.5	Low	47 Å²	47	67.2 Å²	67.2	29%	0.288	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	126	170.7	-56.1	0	0	0	0	108	A141	T44-A141 PolarHBondContact N-O 3.45Å; T44-A141 PolarHBondContact O-N 2.99Å
45	L	74.4	Confident	57.8	Low	3 Å²	3	60.5 Å²	60.5	2%	0.016	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	111.7	175.3	-171.7	82.2	0	0	0	108.5	V47 L138 Y140 S413 S416	L45-V47 HydrophobicContact CD2-CG2 3.58Å; L45-V47 HydrophobicContact CG-CG2 3.9Å; L45-L138 HydrophobicContact CD1-CB 4.16Å; L45-L138 HydrophobicContact CD1-CD2 4.12Å; L45-L138 HydrophobicContact CD2-CD2 4.14Å; L45-L138 HydrophobicContact CG-CD2 4.35Å; L45-Y140 HydrophobicContact CD1-CD1 3.72Å; L45-Y140 HydrophobicContact CD1-CE1 3.31Å; L45-Y140 HydrophobicContact CD1-CE2 4.43Å; L45-Y140 HydrophobicContact CD1-CG 4.46Å; L45-S413 VanDerWaalsContact CB-O 3.3Å; L45-S413 WeakPolarHBondContact CB-O 3.48Å; L45-S413 PolarHBondContact N-O 2.71Å; L45-S416 WeakPolarHBondContact CD2-OG 3.45Å
46	K	70.7	Confident	60.7	Low	113 Å²	113	59.3 Å²	59.3	49%	0.491	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	122.1	164.4	-168.5	-176.7	-177.8	-153.2	0	107.9	E48 K139	K46-E48 WeakPolarHBondContact CE-OE1 3.39Å; K46-E48 IonicContact NZ-OE1 3.33Å; K46-E48 PolarHBondContact NZ-OE1 3.3Å; K46-K139 HydrophobicContact CB-CB 4.34Å; K46-K139 PolarHBondContact N-O 2.74Å; K46-K139 PolarHBondContact O-N 2.92Å
47	V	66.1	Low	63.6	Low	24 Å²	24	55.5 Å²	55.5	15%	0.145	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	114.9	177.4	-174.3	0	0	0	0	106.7	L45 R136 S137 L138	L45-V47 HydrophobicContact CD2-CG2 3.58Å; L45-V47 HydrophobicContact CG-CG2 3.9Å; V47-R136 HydrophobicContact CG1-CG 3.82Å; V47-S137 WeakPolarHBondContact CA-O 2.85Å; V47-L138 HydrophobicContact CG1-CD2 4.21Å; V47-L138 HydrophobicContact CG2-CD2 3.82Å
48	E	68.5	Low	66.6	Low	64 Å²	64	51.9 Å²	51.9	30%	0.299	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	139	169.8	-67.5	168.9	-173.7	0	0	108.5	K46 R136 S137 K139	K46-E48 WeakPolarHBondContact CE-OE1 3.39Å; K46-E48 IonicContact NZ-OE1 3.33Å; K46-E48 PolarHBondContact NZ-OE1 3.3Å; E48-R136 CarbonylContact O-C 3.57Å; E48-R136 WeakPolarHBondContact O-CA 3.39Å; E48-S137 PolarHBondContact N-O 3.22Å; E48-S137 PolarHBondContact O-N 3.11Å; E48-K139 IonicContact OE1-NZ 3.85Å; E48-K139 PolarHBondContact OE1-NZ 2.94Å; E48-K139 VanDerWaalsContact OE2-CE 3.3Å; E48-K139 WeakPolarHBondContact OE2-CE 3.23Å; E48-K139 IonicContact OE2-NZ 3.14Å; E48-K139 PolarHBondContact OE2-NZ 3.11Å
49	F	66.4	Low	69.5	Low	56 Å²	56	45.4 Å²	45.4	25%	0.246	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	139.2	-175.3	-171.8	-85.7	0	0	0	110.5	V134 I310 G311 D314	F49-V134 HydrophobicContact CD2-CG1 4Å; F49-V134 HydrophobicContact CE1-CG1 4.16Å; F49-V134 HydrophobicContact CE2-CG1 3.15Å; F49-V134 HydrophobicContact CZ-CB 4.28Å; F49-V134 HydrophobicContact CZ-CG1 3.25Å; F49-V134 HydrophobicContact CZ-CG2 4.07Å; F49-I310 HydrophobicContact CE2-CG2 4.24Å; F49-G311 WeakPolarHBondContact CD2-O 3.39Å; F49-D314 HydrophobicContact CE1-CB 4.37Å
50	S	66.4	Low	72.2	Confident	53 Å²	53	42.3 Å²	42.3	37%	0.371	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	142.9	175.9	-172.8	0	0	0	0	109.1	F135 N743	S50-F135 PolarHBondContact N-O 3.1Å; S50-F135 PolarHBondContact O-N 2.91Å; S50-N743 PolarHBondContact OG-ND2 3.16Å; S50-N743 PolarHBondContact OG-OD1 2.89Å
51	S	69.4	Low	74.9	Confident	14 Å²	14	39.2 Å²	39.2	10%	0.098	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	105	-168.7	175.8	0	0	0	0	113.3	D314 N743	S51-D314 WeakPolarHBondContact CB-OD2 3.46Å; S51-D314 PolarHBondContact OG-OD2 3.41Å; S51-N743 VanDerWaalsContact C-CB 3.41Å; S51-N743 WeakPolarHBondContact CA-OD1 3.31Å; S51-N743 PolarHBondContact N-OD1 3.16Å; S51-N743 VanDerWaalsContact N-OD1 3.14Å; S51-N743 WeakPolarHBondContact O-CB 3.48Å; S51-N743 PolarHBondContact O-OD1 3.32Å
52	T	66.9	Low	77.2	Confident	9 Å²	9	36.2 Å²	36.2	6%	0.055	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	115.3	-173.5	63	0	0	0	0	118	V54 R132 K133 F135 E742 N743	T52-V54 PolarHBondContact O-N 3.23Å; T52-R132 CarbonylContact O-C 3.54Å; T52-R132 VanDerWaalsContact O-C 3.31Å; T52-R132 WeakPolarHBondContact O-CA 3.45Å; T52-K133 WeakPolarHBondContact CA-O 3.33Å; T52-K133 WeakPolarHBondContact CB-O 3.46Å; T52-K133 PolarHBondContact N-O 3.23Å; T52-K133 WeakPolarHBondContact O-CA 2.98Å; T52-K133 PolarHBondContact O-N 3.4Å; T52-K133 WeakPolarHBondContact OG1-CB 3.2Å; T52-K133 WeakPolarHBondContact OG1-CD 3.45Å; T52-K133 VanDerWaalsContact OG1-CG 3.29Å; T52-K133 WeakPolarHBondContact OG1-CG 3.29Å; T52-K133 PolarHBondContact OG1-O 3.03Å; T52-F135 HydrophobicContact CG2-CD2 3.75Å; T52-F135 HydrophobicContact CG2-CE2 3.38Å; T52-F135 HydrophobicContact CG2-CZ 4.49Å; T52-E742 WeakPolarHBondContact CG2-O 3.41Å; T52-N743 CarbonylContact C-O 3.44Å; T52-N743 VanDerWaalsContact CA-O 3.31Å; T52-N743 WeakPolarHBondContact CA-O 3.37Å; T52-N743 WeakPolarHBondContact CA-OD1 3.34Å; T52-N743 WeakPolarHBondContact CB-O 3.19Å; T52-N743 VanDerWaalsContact CB-OD1 3.31Å; T52-N743 WeakPolarHBondContact CB-OD1 3.46Å; T52-N743 HydrophobicContact CG2-CB 3.73Å; T52-N743 VanDerWaalsContact CG2-CG 3.44Å; T52-N743 WeakPolarHBondContact CG2-OD1 3.49Å; T52-N743 PolarHBondContact N-OD1 2.91Å
53	V	76.4	Confident	78.7	Confident	19 Å²	19	36.6 Å²	36.6	12%	0.115	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	128.2	160	-177.7	0	0	0	0	111.9	E55 P130 Q131 R132 N743 T744	V53-E55 PolarHBondContact O-N 3.03Å; V53-P130 HydrophobicContact CB-CB 4.3Å; V53-P130 HydrophobicContact CG1-CB 3.33Å; V53-P130 HydrophobicContact CG1-CG 4.4Å; V53-P130 HydrophobicContact CG2-CB 4.03Å; V53-P130 HydrophobicContact CG2-CG 4.29Å; V53-Q131 CarbonylContact C-O 3.56Å; V53-Q131 WeakPolarHBondContact CA-O 3.34Å; V53-R132 HydrophobicContact CG2-CG 4.13Å; V53-N743 CarbonylContact C-O 2.97Å; V53-N743 VanDerWaalsContact C-O 3.27Å; V53-N743 VanDerWaalsContact CA-O 3.28Å; V53-N743 WeakPolarHBondContact CA-O 3.35Å; V53-N743 PolarHBondContact N-O 2.95Å; V53-T744 HydrophobicContact CB-CG2 4.41Å; V53-T744 HydrophobicContact CG2-CG2 3.71Å
54	V	80.1	Confident	79.5	Confident	14 Å²	14	36.7 Å²	36.7	9%	0.085	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	119.5	175.5	-169.8	0	0	0	0	108.5	T52 Y56 E57 Q131 K133 Y287	T52-V54 PolarHBondContact O-N 3.23Å; V54-Y56 PolarHBondContact O-N 3.11Å; V54-E57 HydrophobicContact CB-CB 4.12Å; V54-E57 HydrophobicContact CB-CG 4.46Å; V54-E57 HydrophobicContact CG1-CB 4.08Å; V54-E57 VanDerWaalsContact CG1-CD 3.44Å; V54-E57 HydrophobicContact CG1-CG 3.87Å; V54-E57 WeakPolarHBondContact CG1-OE2 3.33Å; V54-E57 PolarHBondContact O-N 3.27Å; V54-Q131 HydrophobicContact CB-CB 4.48Å; V54-Q131 HydrophobicContact CG2-CG 4.16Å; V54-Q131 PolarHBondContact N-O 3.45Å; V54-K133 HydrophobicContact CG2-CB 3.68Å; V54-Y287 HydrophobicContact CG2-CD1 3.82Å; V54-Y287 HydrophobicContact CG2-CE1 3.54Å
55	E	79.3	Confident	80.4	Confident	62 Å²	62	38.9 Å²	38.9	29%	0.29	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	136.6	177.3	-114.1	167.8	-143.6	0	0	112	V53 E57 R745	V53-E55 PolarHBondContact O-N 3.03Å; E55-E57 PolarHBondContact O-N 2.96Å; E55-R745 VanDerWaalsContact CB-NH1 3.34Å; E55-R745 VanDerWaalsContact CD-NH1 3.31Å; E55-R745 HydrophobicContact CG-CB 3.77Å; E55-R745 HydrophobicContact CG-CG 4.2Å; E55-R745 VanDerWaalsContact OE1-CB 3.31Å; E55-R745 WeakPolarHBondContact OE1-CB 3.5Å; E55-R745 WeakPolarHBondContact OE1-CD 3.4Å; E55-R745 IonicContact OE1-NH1 3.78Å; E55-R745 IonicContact OE2-CZ 2.96Å; E55-R745 IonicContact OE2-NH1 3.65Å; E55-R745 PolarHBondContact OE2-NH1 3.5Å
56	Y	85.2	Confident	81.3	Confident	70 Å²	70	41.4 Å²	41.4	28%	0.275	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	63.5	1.3	175.5	-51.4	-64.9	0	0	0	114.9	V54 Q107 I108 K111	V54-Y56 PolarHBondContact O-N 3.11Å; Y56-Q107 CarbonylContact O-C 3.13Å; Y56-Q107 WeakPolarHBondContact O-CA 3.18Å; Y56-I108 VanDerWaalsContact CB-O 3.24Å; Y56-I108 WeakPolarHBondContact CB-O 3.31Å; Y56-I108 VanDerWaalsContact CD1-O 3.28Å; Y56-I108 WeakPolarHBondContact CD1-O 3.36Å; Y56-I108 PolarHBondContact O-N 3.33Å; Y56-K111 HydrophobicContact CE1-CG 4.32Å
57	E	89	Confident	82.3	Confident	35 Å²	35	39.9 Å²	39.9	16%	0.164	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	128.7	178.7	-63	-174	-175.7	0	0	111.4	V54 E55 I90 I106 Q131	V54-E57 HydrophobicContact CB-CB 4.12Å; V54-E57 HydrophobicContact CB-CG 4.46Å; V54-E57 HydrophobicContact CG1-CB 4.08Å; V54-E57 VanDerWaalsContact CG1-CD 3.44Å; V54-E57 HydrophobicContact CG1-CG 3.87Å; V54-E57 WeakPolarHBondContact CG1-OE2 3.33Å; V54-E57 PolarHBondContact O-N 3.27Å; E55-E57 PolarHBondContact O-N 2.96Å; E57-I90 HydrophobicContact CB-CD1 4.36Å; E57-I90 HydrophobicContact CG-CD1 3.53Å; E57-I90 WeakPolarHBondContact OE1-CD1 2.98Å; E57-I106 CarbonylContact C-O 3.36Å; E57-I106 VanDerWaalsContact CA-O 3.32Å; E57-I106 WeakPolarHBondContact CA-O 3.25Å; E57-Q131 HydrophobicContact CB-CB 3.96Å; E57-Q131 PolarHBondContact O-N 3.4Å; E57-Q131 PolarHBondContact OE2-NE2 3.47Å
58	Y	89.2	Confident	83.5	Confident	47 Å²	47	41.3 Å²	41.3	18%	0.184	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	140.5	-178	-56.2	-89.1	0	0	0	110.2	V105 I106 I108 L116 V128 T129	Y58-V105 CarbonylContact O-C 3.35Å; Y58-V105 WeakPolarHBondContact O-CA 3.33Å; Y58-I106 PolarHBondContact N-O 3.29Å; Y58-I106 PolarHBondContact O-N 2.91Å; Y58-I108 HydrophobicContact CD2-CB 4.49Å; Y58-I108 HydrophobicContact CD2-CD1 4.4Å; Y58-I108 HydrophobicContact CE2-CB 4.28Å; Y58-L116 HydrophobicContact CD1-CD1 4.43Å; Y58-L116 HydrophobicContact CD1-CD2 3.75Å; Y58-L116 HydrophobicContact CD2-CD2 3.99Å; Y58-L116 HydrophobicContact CE1-CD1 3.71Å; Y58-L116 HydrophobicContact CE1-CD2 3.77Å; Y58-L116 HydrophobicContact CE1-CG 4.4Å; Y58-L116 HydrophobicContact CE2-CD2 4.01Å; Y58-L116 HydrophobicContact CG-CD2 3.86Å; Y58-V128 HydrophobicContact CD1-CG1 4.44Å; Y58-V128 HydrophobicContact CG-CG1 4.45Å; Y58-T129 CarbonylContact C-O 3.53Å; Y58-T129 WeakPolarHBondContact CA-O 3.16Å
59	I	90.4	Very high	84.6	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	116.4	170.6	-58.5	175	0	0	0	106.9	F103 V128 T129 Q131 T288 L292	I59-F103 HydrophobicContact CG2-CB 4.13Å; I59-F103 HydrophobicContact CG2-CD2 3.83Å; I59-F103 HydrophobicContact CG2-CG 4.3Å; I59-V128 WeakPolarHBondContact O-CA 3.41Å; I59-T129 PolarHBondContact N-O 3.18Å; I59-T129 PolarHBondContact O-N 3.13Å; I59-Q131 HydrophobicContact CD1-CB 4.31Å; I59-Q131 HydrophobicContact CD1-CG 4.35Å; I59-Q131 HydrophobicContact CG1-CB 3.97Å; I59-Q131 HydrophobicContact CG1-CG 4.36Å; I59-T288 HydrophobicContact CD1-CG2 3.82Å; I59-L292 HydrophobicContact CD1-CD1 4.21Å; I59-L292 HydrophobicContact CG2-CD1 4Å
60	V	92.6	Very high	85.8	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	110.2	171.4	-177.8	0	0	0	0	107.5	F62 F103 E104 I106 L119 I125 V128	V60-F62 HydrophobicContact CB-CE2 4.49Å; V60-F62 HydrophobicContact CB-CZ 4.46Å; V60-F62 HydrophobicContact CG1-CE1 4.18Å; V60-F62 HydrophobicContact CG1-CE2 4.18Å; V60-F62 HydrophobicContact CG1-CZ 3.84Å; V60-F62 WeakPolarHBondContact O-CE2 3.37Å; V60-F103 CarbonylContact O-C 3.46Å; V60-F103 WeakPolarHBondContact O-CA 3.35Å; V60-F103 WeakPolarHBondContact O-CB 3.36Å; V60-E104 PolarHBondContact N-O 3.29Å; V60-E104 PolarHBondContact O-N 3.13Å; V60-I106 HydrophobicContact CG2-CD1 3.65Å; V60-I106 HydrophobicContact CG2-CG1 3.96Å; V60-I106 HydrophobicContact CG2-CG2 4.11Å; V60-L119 HydrophobicContact CG2-CD1 4.49Å; V60-I125 HydrophobicContact CG1-CB 4.49Å; V60-I125 HydrophobicContact CG1-CD1 3.76Å; V60-I125 HydrophobicContact CG1-CG1 3.93Å; V60-I125 HydrophobicContact CG1-CG2 3.8Å; V60-V128 HydrophobicContact CG2-CG1 4.41Å; V60-V128 HydrophobicContact CG2-CG2 4.36Å
61	A	91.9	Very high	87.1	Confident	12 Å²	12	43.3 Å²	43.3	10%	0.099	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	139.7	175.1	0	0	0	0	0	110.2	K126 R127	A61-K126 HydrophobicContact CB-CB 4.44Å; A61-K126 PolarHBondContact O-N 3.49Å; A61-R127 PolarHBondContact N-O 3.19Å; A61-R127 PolarHBondContact O-N 2.68Å
62	F	92.8	Very high	88.1	Confident	6 Å²	6	46 Å²	46	3%	0.026	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	160.5	-178.5	-61.7	-84.7	0	0	0	111.1	V60 G64 F66 R71 F74 I75 D102 E104 N124 I125	V60-F62 HydrophobicContact CB-CE2 4.49Å; V60-F62 HydrophobicContact CB-CZ 4.46Å; V60-F62 HydrophobicContact CG1-CE1 4.18Å; V60-F62 HydrophobicContact CG1-CE2 4.18Å; V60-F62 HydrophobicContact CG1-CZ 3.84Å; V60-F62 WeakPolarHBondContact O-CE2 3.37Å; F62-G64 PolarHBondContact O-N 2.91Å; F62-F66 HydrophobicContact CB-CD2 3.82Å; F62-F66 HydrophobicContact CB-CE2 3.9Å; F62-F66 HydrophobicContact CD1-CD2 4.46Å; F62-F66 HydrophobicContact CG-CD2 4.19Å; F62-R71 HydrophobicContact CD2-CG 4.04Å; F62-R71 HydrophobicContact CE1-CB 4.49Å; F62-R71 HydrophobicContact CE1-CG 4.5Å; F62-R71 HydrophobicContact CE2-CB 3.97Å; F62-R71 HydrophobicContact CE2-CG 3.73Å; F62-R71 HydrophobicContact CZ-CB 3.82Å; F62-R71 HydrophobicContact CZ-CG 3.97Å; F62-F74 HydrophobicContact CD1-CD2 4.03Å; F62-F74 HydrophobicContact CE1-CB 4.07Å; F62-F74 AromaticContact CE1-CD2 3.92Å; F62-F74 HydrophobicContact CE1-CD2 3.92Å; F62-I75 HydrophobicContact CZ-CD1 3.96Å; F62-I75 HydrophobicContact CZ-CG1 4Å; F62-D102 WeakPolarHBondContact CD2-O 3.33Å; F62-D102 PolarHBondContact N-O 3.33Å; F62-E104 HydrophobicContact CE2-CB 4Å; F62-N124 WeakPolarHBondContact CA-O 3.16Å; F62-I125 HydrophobicContact CD1-CG1 4.11Å; F62-I125 HydrophobicContact CE1-CG1 3.92Å
63	N	89.7	Confident	89.4	Confident	100 Å²	100	49.1 Å²	49.1	54%	0.535	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	-3.8	178.1	-69.6	-28.9	0	0	0	114.1	P123 N124 K126	N63-P123 PolarHBondContact ND2-O 2.88Å; N63-N124 PolarHBondContact N-O 3.27Å; N63-N124 VanDerWaalsContact N-O 3.07Å; N63-K126 WeakPolarHBondContact OD1-CA 3.36Å; N63-K126 VanDerWaalsContact OD1-CB 3.23Å; N63-K126 WeakPolarHBondContact OD1-CB 3.23Å
64	G	90.5	Very high	90.1	Very high	23 Å²	23	50 Å²	50	24%	0.237	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.6	179.7	179.7	0	0	0	0	0	112.7	F62 F66 D102	F62-G64 PolarHBondContact O-N 2.91Å; G64-F66 WeakPolarHBondContact O-CD2 3.39Å; G64-F66 WeakPolarHBondContact O-CE2 3.41Å; G64-F66 PolarHBondContact O-N 3.47Å; G64-D102 WeakPolarHBondContact O-CA 3Å
65	Y	92.2	Very high	90.6	Very high	93 Å²	93	49.4 Å²	49.4	37%	0.365	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	114.9	179	-76.3	-95.2	0	0	0	111.2	P100 D102 N296 K323 E326	Y65-P100 WeakPolarHBondContact CD1-O 3.37Å; Y65-D102 HydrophobicContact CD1-CB 4.32Å; Y65-D102 HydrophobicContact CD2-CB 4.39Å; Y65-D102 HydrophobicContact CE1-CB 4.24Å; Y65-D102 HydrophobicContact CE2-CB 4.32Å; Y65-D102 HydrophobicContact CG-CB 4.39Å; Y65-N296 PolarHBondContact OH-OD1 2.82Å; Y65-K323 PolarHBondContact OH-NZ 3.07Å; Y65-E326 WeakPolarHBondContact CE2-OE1 3.45Å; Y65-E326 PolarHBondContact OH-OE1 3.25Å
66	F	93.4	Very high	91.1	Very high	56 Å²	56	48.5 Å²	48.5	25%	0.246	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	162.4	-179	-63.8	-70.6	0	0	0	111.2	F62 G64 A70 R71 F74 P100 S101	F62-F66 HydrophobicContact CB-CD2 3.82Å; F62-F66 HydrophobicContact CB-CE2 3.9Å; F62-F66 HydrophobicContact CD1-CD2 4.46Å; F62-F66 HydrophobicContact CG-CD2 4.19Å; G64-F66 WeakPolarHBondContact O-CD2 3.39Å; G64-F66 WeakPolarHBondContact O-CE2 3.41Å; G64-F66 PolarHBondContact O-N 3.47Å; F66-A70 HydrophobicContact CB-CB 4.19Å; F66-R71 HydrophobicContact CB-CG 3.7Å; F66-R71 PolarHBondContact O-NH1 3.25Å; F66-F74 HydrophobicContact CB-CE2 4.48Å; F66-F74 AromaticContact CD1-CE2 3.89Å; F66-F74 HydrophobicContact CD1-CE2 3.89Å; F66-F74 HydrophobicContact CD1-CZ 4.29Å; F66-F74 AromaticContact CD2-CE2 3.93Å; F66-F74 HydrophobicContact CD2-CE2 3.93Å; F66-F74 HydrophobicContact CE1-CE2 4.05Å; F66-F74 HydrophobicContact CE1-CZ 4.28Å; F66-F74 HydrophobicContact CE2-CE2 4.09Å; F66-F74 AromaticContact CG-CE2 3.83Å; F66-F74 HydrophobicContact CG-CE2 3.83Å; F66-F74 HydrophobicContact CZ-CE2 4.15Å; F66-P100 VanDerWaalsContact O-CA 3.25Å; F66-P100 WeakPolarHBondContact O-CA 3.5Å; F66-S101 PolarHBondContact N-O 2.91Å; F66-S101 PolarHBondContact O-N 3.08Å; F66-S101 VanDerWaalsContact O-N 3.08Å
67	T	92.4	Very high	91.3	Very high	81 Å²	81	48.6 Å²	48.6	50%	0.497	27%	0.272	S	S	.	.			trans	-75.4	157.6	170.8	64.5	0	0	0	0	110.7	K69 A70 R71	T67-K69 PolarHBondContact O-N 3.23Å; T67-A70 PolarHBondContact O-N 2.86Å; T67-A70 PolarHBondContact OG1-N 3.2Å; T67-R71 PolarHBondContact O-N 3.18Å
68	A	90.1	Very high	91.2	Very high	54 Å²	54	47.1 Å²	47.1	45%	0.446	27%	0.266	S	S	.	.	H	α-helix	trans	-55.4	-36.8	178	0	0	0	0	0	113	N72	A68-N72 VanDerWaalsContact O-CB 3.32Å; A68-N72 WeakPolarHBondContact O-CB 3.42Å; A68-N72 PolarHBondContact O-N 2.79Å
69	K	91.4	Very high	91	Very high	184 Å²	184	45 Å²	45	80%	0.8	26%	0.258	S	S	*	.	H	α-helix	trans	-64.6	-43.5	176.3	-66.2	-176.8	-178.7	179.3	0	112.2	T67 S73	T67-K69 PolarHBondContact O-N 3.23Å; K69-S73 PolarHBondContact O-N 3.19Å
70	A	92.1	Very high	90.6	Very high	27 Å²	27	53.9 Å²	53.9	22%	0.223	30%	0.296	C	S	.	.	H	α-helix	trans	-67.4	-46.4	179.2	0	0	0	0	0	111.8	F66 T67 N72 S73 F74	F66-A70 HydrophobicContact CB-CB 4.19Å; T67-A70 PolarHBondContact O-N 2.86Å; T67-A70 PolarHBondContact OG1-N 3.2Å; A70-N72 VanDerWaalsContact C-N 3.32Å; A70-N72 PolarHBondContact O-N 2.96Å; A70-S73 WeakPolarHBondContact O-CB 3.38Å; A70-S73 PolarHBondContact O-N 3.23Å; A70-S73 VanDerWaalsContact O-N 3.08Å; A70-F74 HydrophobicContact CB-CE2 4.4Å; A70-F74 HydrophobicContact CB-CZ 4.38Å; A70-F74 WeakPolarHBondContact O-CD2 3.26Å; A70-F74 WeakPolarHBondContact O-CG 3.31Å; A70-F74 PolarHBondContact O-N 3.32Å
71	R	93.2	Very high	89.4	Confident	3 Å²	3	58.3 Å²	58.3	1%	0.011	33%	0.327	C	S	.	.	H	α-helix	trans	-58.2	-44.4	176.1	-65.5	-170	-53.7	-96.6	3	111.9	F62 F66 T67 S73 F74 I75 R92 S101 E104	F62-R71 HydrophobicContact CD2-CG 4.04Å; F62-R71 HydrophobicContact CE1-CB 4.49Å; F62-R71 HydrophobicContact CE1-CG 4.5Å; F62-R71 HydrophobicContact CE2-CB 3.97Å; F62-R71 HydrophobicContact CE2-CG 3.73Å; F62-R71 HydrophobicContact CZ-CB 3.82Å; F62-R71 HydrophobicContact CZ-CG 3.97Å; F66-R71 HydrophobicContact CB-CG 3.7Å; F66-R71 PolarHBondContact O-NH1 3.25Å; T67-R71 PolarHBondContact O-N 3.18Å; R71-S73 VanDerWaalsContact C-N 3.31Å; R71-S73 PolarHBondContact O-N 3.21Å; R71-F74 PolarHBondContact O-N 2.82Å; R71-I75 WeakPolarHBondContact O-CG1 3.48Å; R71-I75 PolarHBondContact O-N 2.79Å; R71-R92 VanDerWaalsContact NH2-NH2 3.19Å; R71-S101 WeakPolarHBondContact CD-O 3.45Å; R71-S101 PolarHBondContact NH1-O 2.85Å; R71-E104 IonicContact CZ-OE2 3.69Å; R71-E104 VanDerWaalsContact CZ-OE2 3.23Å; R71-E104 IonicContact NE-OE2 3.8Å; R71-E104 PolarHBondContact NE-OE2 2.84Å; R71-E104 IonicContact NH2-OE2 2.87Å; R71-E104 PolarHBondContact NH2-OE2 3.23Å
72	N	92.3	Very high	88.3	Confident	71 Å²	71	58.9 Å²	58.9	38%	0.38	33%	0.33	S	S	.	.	H	α-helix	trans	-60.4	-41	175.5	-173.3	21.7	0	0	0	111.9	A68 A70 F74 S76 I89	A68-N72 VanDerWaalsContact O-CB 3.32Å; A68-N72 WeakPolarHBondContact O-CB 3.42Å; A68-N72 PolarHBondContact O-N 2.79Å; A70-N72 VanDerWaalsContact C-N 3.32Å; A70-N72 PolarHBondContact O-N 2.96Å; N72-F74 PolarHBondContact O-N 3.46Å; N72-S76 WeakPolarHBondContact O-CB 3.28Å; N72-S76 PolarHBondContact O-N 3.29Å; N72-S76 PolarHBondContact O-OG 3.21Å; N72-S76 PolarHBondContact OD1-OG 2.93Å; N72-I89 HydrophobicContact CB-CD1 3.97Å; N72-I89 WeakPolarHBondContact OD1-CD1 3.21Å
73	S	92.4	Very high	87.1	Confident	74 Å²	74	66.8 Å²	66.8	52%	0.517	37%	0.368	S	S	.	.	H	α-helix	trans	-62.4	-41.2	175.6	-169.3	0	0	0	0	112.5	K69 A70 R71 S77	K69-S73 PolarHBondContact O-N 3.19Å; A70-S73 WeakPolarHBondContact O-CB 3.38Å; A70-S73 PolarHBondContact O-N 3.23Å; A70-S73 VanDerWaalsContact O-N 3.08Å; R71-S73 VanDerWaalsContact C-N 3.31Å; R71-S73 PolarHBondContact O-N 3.21Å; S73-S77 VanDerWaalsContact O-CB 3.27Å; S73-S77 WeakPolarHBondContact O-CB 3.28Å; S73-S77 PolarHBondContact O-N 2.79Å
74	F	92.1	Very high	86.3	Confident	39 Å²	39	62.4 Å²	62.4	17%	0.171	34%	0.344	C	S	.	.	H	α-helix	trans	-65.2	-48.2	178.5	-59	-28.8	0	0	0	111.7	F62 F66 A70 R71 N72 S77 A78 N124	F62-F74 HydrophobicContact CD1-CD2 4.03Å; F62-F74 HydrophobicContact CE1-CB 4.07Å; F62-F74 AromaticContact CE1-CD2 3.92Å; F62-F74 HydrophobicContact CE1-CD2 3.92Å; F66-F74 HydrophobicContact CB-CE2 4.48Å; F66-F74 AromaticContact CD1-CE2 3.89Å; F66-F74 HydrophobicContact CD1-CE2 3.89Å; F66-F74 HydrophobicContact CD1-CZ 4.29Å; F66-F74 AromaticContact CD2-CE2 3.93Å; F66-F74 HydrophobicContact CD2-CE2 3.93Å; F66-F74 HydrophobicContact CE1-CE2 4.05Å; F66-F74 HydrophobicContact CE1-CZ 4.28Å; F66-F74 HydrophobicContact CE2-CE2 4.09Å; F66-F74 AromaticContact CG-CE2 3.83Å; F66-F74 HydrophobicContact CG-CE2 3.83Å; F66-F74 HydrophobicContact CZ-CE2 4.15Å; A70-F74 HydrophobicContact CB-CE2 4.4Å; A70-F74 HydrophobicContact CB-CZ 4.38Å; A70-F74 WeakPolarHBondContact O-CD2 3.26Å; A70-F74 WeakPolarHBondContact O-CG 3.31Å; A70-F74 PolarHBondContact O-N 3.32Å; R71-F74 PolarHBondContact O-N 2.82Å; N72-F74 PolarHBondContact O-N 3.46Å; F74-S77 PolarHBondContact O-N 3Å; F74-A78 WeakPolarHBondContact O-CB 3.28Å; F74-A78 PolarHBondContact O-N 2.85Å; F74-N124 HydrophobicContact CD2-CB 4.33Å; F74-N124 HydrophobicContact CE2-CB 4.33Å
75	I	90.9	Very high	85.3	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-62.7	-47.1	178	-65	164.6	0	0	0	110.3	F62 R71 S77 A78 L79 W87 I89 E104 I106 L119	F62-I75 HydrophobicContact CZ-CD1 3.96Å; F62-I75 HydrophobicContact CZ-CG1 4Å; R71-I75 WeakPolarHBondContact O-CG1 3.48Å; R71-I75 PolarHBondContact O-N 2.79Å; I75-S77 VanDerWaalsContact C-N 3.3Å; I75-S77 PolarHBondContact O-N 2.91Å; I75-A78 PolarHBondContact O-N 3.2Å; I75-L79 HydrophobicContact CG2-CD1 3.75Å; I75-L79 HydrophobicContact CG2-CG 4.45Å; I75-L79 WeakPolarHBondContact O-CB 3.5Å; I75-L79 WeakPolarHBondContact O-CG 3.12Å; I75-L79 PolarHBondContact O-N 2.04Å; I75-W87 HydrophobicContact CG2-CE3 4.1Å; I75-W87 HydrophobicContact CG2-CH2 3.88Å; I75-W87 HydrophobicContact CG2-CZ3 3.55Å; I75-I89 HydrophobicContact CD1-CD1 4.19Å; I75-E104 HydrophobicContact CD1-CB 3.95Å; I75-E104 HydrophobicContact CD1-CG 4.15Å; I75-I106 HydrophobicContact CD1-CG2 3.84Å; I75-I106 HydrophobicContact CG2-CG2 4.23Å; I75-L119 HydrophobicContact CG2-CD2 4.3Å
76	S	89.8	Confident	84.8	Confident	44 Å²	44	68.2 Å²	68.2	31%	0.308	38%	0.376	S	S	.	.	H	α-helix	trans	-60.8	-40.1	178.8	-60	0	0	0	0	111.7	N72 K80 W87	N72-S76 WeakPolarHBondContact O-CB 3.28Å; N72-S76 PolarHBondContact O-N 3.29Å; N72-S76 PolarHBondContact O-OG 3.21Å; N72-S76 PolarHBondContact OD1-OG 2.93Å; S76-K80 VanDerWaalsContact O-CB 3.24Å; S76-K80 WeakPolarHBondContact O-CB 3.01Å; S76-K80 PolarHBondContact O-N 2.93Å; S76-W87 WeakPolarHBondContact OG-CH2 3.04Å
77	S	88.9	Confident	84.6	Confident	71 Å²	71	68.6 Å²	68.6	50%	0.497	38%	0.376	S	S	.	.	H	α-helix	trans	-67.1	-42.5	178	-170	0	0	0	0	112.2	S73 F74 I75	S73-S77 VanDerWaalsContact O-CB 3.27Å; S73-S77 WeakPolarHBondContact O-CB 3.28Å; S73-S77 PolarHBondContact O-N 2.79Å; F74-S77 PolarHBondContact O-N 3Å; I75-S77 VanDerWaalsContact C-N 3.3Å; I75-S77 PolarHBondContact O-N 2.91Å
78	A	86.9	Confident	84.5	Confident	5 Å²	5	71.7 Å²	71.7	4%	0.041	38%	0.378	C	S	.	.	H	α-helix	trans	-67.9	-35.8	179.5	0	0	0	0	0	112.6	F74 I75 S81 L119 H122	F74-A78 WeakPolarHBondContact O-CB 3.28Å; F74-A78 PolarHBondContact O-N 2.85Å; I75-A78 PolarHBondContact O-N 3.2Å; A78-S81 PolarHBondContact O-OG 3.36Å; A78-L119 HydrophobicContact CB-CD2 3.87Å; A78-H122 HydrophobicContact CB-CB 4.15Å
79	L	85.4	Confident	84.5	Confident	3 Å²	3	71.3 Å²	71.3	2%	0.016	37%	0.369	C	S	.	.	H	α-helix	trans	-83.7	-22.3	179	-66.2	175.6	0	0	0	113	I75 S81 S82 W87 L119	I75-L79 HydrophobicContact CG2-CD1 3.75Å; I75-L79 HydrophobicContact CG2-CG 4.45Å; I75-L79 WeakPolarHBondContact O-CB 3.5Å; I75-L79 WeakPolarHBondContact O-CG 3.12Å; I75-L79 PolarHBondContact O-N 2.04Å; L79-S81 PolarHBondContact O-N 2.62Å; L79-S82 WeakPolarHBondContact CA-OG 2.99Å; L79-S82 PolarHBondContact O-N 2.72Å; L79-S82 PolarHBondContact O-OG 3.2Å; L79-W87 HydrophobicContact CD1-CB 4.27Å; L79-W87 HydrophobicContact CD1-CD2 3.4Å; L79-W87 VanDerWaalsContact CD1-CD2 3.4Å; L79-W87 HydrophobicContact CD1-CE3 3.82Å; L79-W87 HydrophobicContact CD1-CG 3.59Å; L79-W87 HydrophobicContact CD1-CZ2 4.21Å; L79-W87 HydrophobicContact CD1-CZ3 4.36Å; L79-L119 HydrophobicContact CD1-CD2 4.46Å; L79-L119 HydrophobicContact CD2-CD1 4.07Å; L79-L119 HydrophobicContact CD2-CD2 4.17Å; L79-L119 HydrophobicContact CD2-CG 3.88Å; L79-L119 HydrophobicContact CG-CD2 4.03Å; L79-L119 HydrophobicContact CG-CG 4.31Å
80	K	81.3	Confident	84.5	Confident	186 Å²	186	64.3 Å²	64.3	81%	0.809	34%	0.34	S	S	*	.	H	α-helix	trans	-63.1	-26.3	175.1	-171.5	175.7	-177.5	-176.8	0	113.2	S76 S82	S76-K80 VanDerWaalsContact O-CB 3.24Å; S76-K80 WeakPolarHBondContact O-CB 3.01Å; S76-K80 PolarHBondContact O-N 2.93Å; K80-S82 VanDerWaalsContact C-N 3.29Å
81	S	67.4	Low	84.3	Confident	93 Å²	93	67.4 Å²	67.4	65%	0.65	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-1.9	173.4	41.4	0	0	0	0	114.1	A78 L79	A78-S81 PolarHBondContact O-OG 3.36Å; L79-S81 PolarHBondContact O-N 2.62Å
82	S	68.7	Low	84	Confident	23 Å²	23	68.5 Å²	68.5	16%	0.161	36%	0.362	C	S	.	.	S	Bend	trans	-112.4	156.9	-178.9	71	0	0	0	0	111.6	L79 K80 V84	L79-S82 WeakPolarHBondContact CA-OG 2.99Å; L79-S82 PolarHBondContact O-N 2.72Å; L79-S82 PolarHBondContact O-OG 3.2Å; K80-S82 VanDerWaalsContact C-N 3.29Å; S82-V84 PolarHBondContact O-N 3Å
83	E	67.8	Low	83.6	Confident	173 Å²	173	72.2 Å²	72.2	81%	0.808	38%	0.381	S	S	*	.	S	Bend	trans	-74.5	21.4	174	-61.2	-175.9	168.2	0	0	113.3
84	V	72.1	Confident	83.3	Confident	8 Å²	8	69.7 Å²	69.7	5%	0.048	36%	0.362	C	S	.	.			trans	-93.8	103.4	-175.1	-178.2	0	0	0	0	110.7	S82 W87 I108	S82-V84 PolarHBondContact O-N 3Å; V84-W87 HydrophobicContact CG1-CB 4.46Å; V84-I108 HydrophobicContact CG1-CG2 3.88Å
85	D	69.6	Low	82.9	Confident	152 Å²	152	70 Å²	70	81%	0.813	37%	0.368	S	S	*	.			trans	-92.5	-23.8	-177.9	-71.5	-34.7	0	0	0	113.1
86	N	83.1	Confident	82.7	Confident	85 Å²	85	70.2 Å²	70.2	46%	0.455	37%	0.37	S	S	.	.			trans	-110.5	70.6	-170.8	-160.8	0.4	0	0	0	113.9	K109 E110	N86-K109 PolarHBondContact O-N 3.13Å; N86-K109 VanDerWaalsContact O-N 3.14Å; N86-E110 WeakPolarHBondContact CB-OE1 3.44Å; N86-E110 PolarHBondContact N-OE1 2.93Å
87	W	87.8	Confident	82.3	Confident	65 Å²	65	70.4 Å²	70.4	25%	0.246	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	153.6	175.1	71.9	-87.4	0	0	0	113	I75 S76 L79 V84 I89 Q107 I108	I75-W87 HydrophobicContact CG2-CE3 4.1Å; I75-W87 HydrophobicContact CG2-CH2 3.88Å; I75-W87 HydrophobicContact CG2-CZ3 3.55Å; S76-W87 WeakPolarHBondContact OG-CH2 3.04Å; L79-W87 HydrophobicContact CD1-CB 4.27Å; L79-W87 HydrophobicContact CD1-CD2 3.4Å; L79-W87 VanDerWaalsContact CD1-CD2 3.4Å; L79-W87 HydrophobicContact CD1-CE3 3.82Å; L79-W87 HydrophobicContact CD1-CG 3.59Å; L79-W87 HydrophobicContact CD1-CZ2 4.21Å; L79-W87 HydrophobicContact CD1-CZ3 4.36Å; V84-W87 HydrophobicContact CG1-CB 4.46Å; W87-I89 HydrophobicContact CZ3-CD1 4.32Å; W87-I89 HydrophobicContact CZ3-CG1 3.84Å; W87-Q107 CarbonylContact C-O 3.32Å; W87-Q107 VanDerWaalsContact CA-O 3.23Å; W87-Q107 WeakPolarHBondContact CA-O 3.41Å; W87-I108 HydrophobicContact CB-CG1 4.01Å
88	R	90.9	Very high	81.9	Confident	145 Å²	145	73.9 Å²	73.9	55%	0.547	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	151.7	172.1	65.7	176.9	179.6	170.7	3.3	112.1	I106 Q107	R88-I106 CarbonylContact O-C 3.33Å; R88-Q107 HydrophobicContact CG-CB 4.04Å; R88-Q107 PolarHBondContact N-O 3.43Å; R88-Q107 PolarHBondContact O-N 3.02Å
89	I	90.8	Very high	82	Confident	47 Å²	47	78.3 Å²	78.3	24%	0.241	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	131.9	169.3	-59.1	-178.2	0	0	0	109.1	N72 I75 W87 E104 I106	N72-I89 HydrophobicContact CB-CD1 3.97Å; N72-I89 WeakPolarHBondContact OD1-CD1 3.21Å; I75-I89 HydrophobicContact CD1-CD1 4.19Å; W87-I89 HydrophobicContact CZ3-CD1 4.32Å; W87-I89 HydrophobicContact CZ3-CG1 3.84Å; I89-E104 HydrophobicContact CD1-CG 4.39Å; I89-E104 HydrophobicContact CG2-CG 3.53Å; I89-I106 HydrophobicContact CG1-CG2 4.37Å
90	I	90.6	Very high	82.2	Confident	37 Å²	37	81.4 Å²	81.4	19%	0.19	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-80.4	121.7	174.1	-68.6	170.9	0	0	0	108.4	E57 R92 V105 Q107	E57-I90 HydrophobicContact CB-CD1 4.36Å; E57-I90 HydrophobicContact CG-CD1 3.53Å; E57-I90 WeakPolarHBondContact OE1-CD1 2.98Å; I90-R92 PolarHBondContact O-N 3.44Å; I90-V105 HydrophobicContact CB-CB 4.21Å; I90-V105 HydrophobicContact CB-CG1 4.08Å; I90-V105 HydrophobicContact CD1-CG1 3.78Å; I90-V105 HydrophobicContact CG1-CG1 4.37Å; I90-V105 PolarHBondContact N-O 3.11Å; I90-Q107 HydrophobicContact CD1-CB 3.98Å; I90-Q107 HydrophobicContact CG1-CB 4.15Å
91	P	87.4	Confident	82.7	Confident	92 Å²	92	72.7 Å²	72.7	60%	0.597	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-68.8	129.5	-178.9	27.7	-33.9	0	0	0	111.1	N93	P91-N93 PolarHBondContact O-N 3.28Å
92	R	87.9	Confident	83.9	Confident	26 Å²	26	69.3 Å²	69.3	10%	0.098	36%	0.357	C	S	.	.			trans	-95.9	80.8	177.1	-60.7	-176.2	-62.2	103.3	-8.3	109.9	R71 I90 N94 S96 S97 E104 D293	R71-R92 VanDerWaalsContact NH2-NH2 3.19Å; I90-R92 PolarHBondContact O-N 3.44Å; R92-N94 VanDerWaalsContact C-N 3.31Å; R92-N94 PolarHBondContact O-N 3.4Å; R92-S96 PolarHBondContact NH1-OG 3.43Å; R92-S97 VanDerWaalsContact O-CB 3.27Å; R92-S97 WeakPolarHBondContact O-CB 3.38Å; R92-E104 IonicContact CZ-OE1 3.85Å; R92-E104 IonicContact NE-OE1 2.84Å; R92-E104 PolarHBondContact NE-OE1 3.17Å; R92-E104 IonicContact NH2-OE1 3.62Å; R92-D293 WeakPolarHBondContact CD-OD2 3.28Å; R92-D293 IonicContact CZ-OD1 2.68Å; R92-D293 IonicContact CZ-OD2 3.18Å; R92-D293 IonicContact NH1-OD1 3.71Å; R92-D293 PolarHBondContact NH1-OD1 2.79Å; R92-D293 IonicContact NH1-OD2 2.73Å; R92-D293 PolarHBondContact NH1-OD2 3.04Å
93	N	83.4	Confident	85.1	Confident	148 Å²	148	68.3 Å²	68.3	79%	0.791	35%	0.35	S	S	*	.			trans	-81.7	72.1	-177.7	-65.6	-20.9	0	0	0	111.4	P91	P91-N93 PolarHBondContact O-N 3.28Å
94	N	85.8	Confident	86.3	Confident	21 Å²	21	60.6 Å²	60.6	11%	0.112	31%	0.314	C	S	.	.	S	Bend	trans	-140.5	172.8	-179.9	64	43.6	0	0	0	110.3	R92 S96 S97 W239 D293	R92-N94 VanDerWaalsContact C-N 3.31Å; R92-N94 PolarHBondContact O-N 3.4Å; N94-S96 PolarHBondContact O-N 3.2Å; N94-S96 WeakPolarHBondContact OD1-CA 3.18Å; N94-S96 WeakPolarHBondContact OD1-CB 3.45Å; N94-S96 PolarHBondContact OD1-N 2.96Å; N94-S96 PolarHBondContact OD1-OG 3.49Å; N94-S97 VanDerWaalsContact O-CB 3.3Å; N94-S97 WeakPolarHBondContact O-CB 3.18Å; N94-S97 PolarHBondContact O-N 3.3Å; N94-S97 PolarHBondContact O-OG 2.98Å; N94-S97 VanDerWaalsContact O-OG 3.07Å; N94-W239 HydrophobicContact CB-CE3 3.86Å; N94-W239 HydrophobicContact CB-CZ3 3.98Å; N94-W239 WeakPolarHBondContact OD1-CZ3 3.43Å; N94-D293 PolarHBondContact ND2-OD2 3.34Å
95	P	85.1	Confident	87.3	Confident	46 Å²	46	60.3 Å²	60.3	30%	0.299	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-14.4	-177	-26.9	36.5	0	0	0	115.9	Y99 T237 W239 Y297	P95-Y99 WeakPolarHBondContact O-CE2 3.32Å; P95-T237 HydrophobicContact CG-CG2 4.08Å; P95-W239 HydrophobicContact CB-CH2 4.09Å; P95-W239 HydrophobicContact CG-CH2 4.38Å; P95-Y297 HydrophobicContact CB-CD2 4.4Å; P95-Y297 HydrophobicContact CB-CE2 3.95Å
96	S	85.1	Confident	88.4	Confident	5 Å²	5	53.1 Å²	53.1	4%	0.035	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-9.1	176.1	79.4	0	0	0	0	113.9	R92 N94 D98 Y99 D293	R92-S96 PolarHBondContact NH1-OG 3.43Å; N94-S96 PolarHBondContact O-N 3.2Å; N94-S96 WeakPolarHBondContact OD1-CA 3.18Å; N94-S96 WeakPolarHBondContact OD1-CB 3.45Å; N94-S96 PolarHBondContact OD1-N 2.96Å; N94-S96 PolarHBondContact OD1-OG 3.49Å; S96-D98 PolarHBondContact O-N 3.18Å; S96-D98 VanDerWaalsContact O-N 3.11Å; S96-Y99 PolarHBondContact O-N 3.21Å; S96-D293 WeakPolarHBondContact OG-CB 3.36Å; S96-D293 PolarHBondContact OG-OD1 3.22Å
97	S	81.8	Confident	88.7	Confident	48 Å²	48	50.1 Å²	50.1	34%	0.336	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-34.1	-173.6	62.4	0	0	0	0	113.8	R92 N94 Y99	R92-S97 VanDerWaalsContact O-CB 3.27Å; R92-S97 WeakPolarHBondContact O-CB 3.38Å; N94-S97 VanDerWaalsContact O-CB 3.3Å; N94-S97 WeakPolarHBondContact O-CB 3.18Å; N94-S97 PolarHBondContact O-N 3.3Å; N94-S97 PolarHBondContact O-OG 2.98Å; N94-S97 VanDerWaalsContact O-OG 3.07Å; S97-Y99 VanDerWaalsContact C-N 3.3Å
98	D	81.8	Confident	88.7	Confident	143 Å²	143	47.2 Å²	47.2	77%	0.765	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-8.4	-173.1	-59	-16.9	0	0	0	112.4	S96	S96-D98 PolarHBondContact O-N 3.18Å; S96-D98 VanDerWaalsContact O-N 3.11Å
99	Y	87.7	Confident	88	Confident	99 Å²	99	45.4 Å²	45.4	39%	0.388	24%	0.243	S	C	.	.	S	Bend	trans	-102.5	154	-177.6	-61.3	-81.8	0	0	0	111.5	P95 S96 S97 S101 Y297 L300	P95-Y99 WeakPolarHBondContact O-CE2 3.32Å; S96-Y99 PolarHBondContact O-N 3.21Å; S97-Y99 VanDerWaalsContact C-N 3.3Å; Y99-S101 PolarHBondContact O-N 3.2Å; Y99-Y297 HydrophobicContact CE2-CE2 4.25Å; Y99-L300 HydrophobicContact CD1-CD1 3.56Å; Y99-L300 HydrophobicContact CD1-CD2 3.78Å; Y99-L300 HydrophobicContact CD1-CG 4.32Å; Y99-L300 HydrophobicContact CD2-CD2 4.02Å; Y99-L300 HydrophobicContact CE1-CD1 3.88Å; Y99-L300 HydrophobicContact CE1-CD2 3.51Å; Y99-L300 HydrophobicContact CE1-CG 4.3Å; Y99-L300 HydrophobicContact CE2-CD2 3.77Å; Y99-L300 HydrophobicContact CG-CD1 4.14Å; Y99-L300 HydrophobicContact CG-CD2 4.02Å
100	P	90.9	Very high	87	Confident	67 Å²	67	45.6 Å²	45.6	44%	0.435	24%	0.242	S	C	.	.			trans	-52.7	142.7	166.7	-25.3	35.7	0	0	0	110.8	Y65 F66	Y65-P100 WeakPolarHBondContact CD1-O 3.37Å; F66-P100 VanDerWaalsContact O-CA 3.25Å; F66-P100 WeakPolarHBondContact O-CA 3.5Å
101	S	91.6	Very high	85.4	Confident	3 Å²	3	52.5 Å²	52.5	2%	0.021	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	152.4	177.3	-175.8	0	0	0	0	108.7	F66 R71 Y99 F103 N296	F66-S101 PolarHBondContact N-O 2.91Å; F66-S101 PolarHBondContact O-N 3.08Å; F66-S101 VanDerWaalsContact O-N 3.08Å; R71-S101 WeakPolarHBondContact CD-O 3.45Å; R71-S101 PolarHBondContact NH1-O 2.85Å; Y99-S101 PolarHBondContact O-N 3.2Å; S101-F103 WeakPolarHBondContact OG-CD1 3.28Å; S101-F103 PolarHBondContact OG-N 3.04Å; S101-F103 PolarHBondContact OG-O 3.09Å; S101-N296 PolarHBondContact OG-ND2 3.05Å
102	D	92.4	Very high	84.1	Confident	22 Å²	22	53.9 Å²	53.9	12%	0.118	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	3.5	176.8	68.8	-50.9	0	0	0	112.4	F62 G64 Y65 N296 K323	F62-D102 WeakPolarHBondContact CD2-O 3.33Å; F62-D102 PolarHBondContact N-O 3.33Å; G64-D102 WeakPolarHBondContact O-CA 3Å; Y65-D102 HydrophobicContact CD1-CB 4.32Å; Y65-D102 HydrophobicContact CD2-CB 4.39Å; Y65-D102 HydrophobicContact CE1-CB 4.24Å; Y65-D102 HydrophobicContact CE2-CB 4.32Å; Y65-D102 HydrophobicContact CG-CB 4.39Å; D102-N296 PolarHBondContact OD1-ND2 3.4Å; D102-K323 IonicContact OD1-NZ 3.43Å; D102-K323 PolarHBondContact OD1-NZ 3.38Å; D102-K323 IonicContact OD2-NZ 2.74Å; D102-K323 PolarHBondContact OD2-NZ 3.33Å
103	F	93.9	Very high	83	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.009	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	162.7	174.5	81.2	-79.7	0	0	0	113	I59 V60 S101 V105 L292 D293	I59-F103 HydrophobicContact CG2-CB 4.13Å; I59-F103 HydrophobicContact CG2-CD2 3.83Å; I59-F103 HydrophobicContact CG2-CG 4.3Å; V60-F103 CarbonylContact O-C 3.46Å; V60-F103 WeakPolarHBondContact O-CA 3.35Å; V60-F103 WeakPolarHBondContact O-CB 3.36Å; S101-F103 WeakPolarHBondContact OG-CD1 3.28Å; S101-F103 PolarHBondContact OG-N 3.04Å; S101-F103 PolarHBondContact OG-O 3.09Å; F103-V105 HydrophobicContact CD2-CG2 4.37Å; F103-V105 HydrophobicContact CE2-CG2 3.99Å; F103-L292 HydrophobicContact CD1-CB 3.92Å; F103-L292 HydrophobicContact CD1-CD1 4.08Å; F103-L292 HydrophobicContact CD2-CD1 3.98Å; F103-L292 HydrophobicContact CE1-CB 3.35Å; F103-L292 HydrophobicContact CE1-CD1 4.19Å; F103-L292 HydrophobicContact CE1-CG 4.41Å; F103-L292 HydrophobicContact CE2-CB 4.27Å; F103-L292 HydrophobicContact CE2-CD1 4.08Å; F103-L292 HydrophobicContact CG-CD1 3.97Å; F103-L292 HydrophobicContact CZ-CB 3.55Å; F103-L292 HydrophobicContact CZ-CD1 4.18Å; F103-L292 HydrophobicContact CZ-CG 4.48Å; F103-D293 WeakPolarHBondContact CE1-OD1 3.29Å; F103-D293 HydrophobicContact CZ-CB 4.46Å; F103-D293 WeakPolarHBondContact CZ-OD1 3.36Å
104	E	93.6	Very high	82.2	Confident	11 Å²	11	55.2 Å²	55.2	5%	0.051	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	151.4	169.4	-158.7	64.1	-98.6	0	0	110.6	V60 F62 R71 I75 I89 R92	V60-E104 PolarHBondContact N-O 3.29Å; V60-E104 PolarHBondContact O-N 3.13Å; F62-E104 HydrophobicContact CE2-CB 4Å; R71-E104 IonicContact CZ-OE2 3.69Å; R71-E104 VanDerWaalsContact CZ-OE2 3.23Å; R71-E104 IonicContact NE-OE2 3.8Å; R71-E104 PolarHBondContact NE-OE2 2.84Å; R71-E104 IonicContact NH2-OE2 2.87Å; R71-E104 PolarHBondContact NH2-OE2 3.23Å; I75-E104 HydrophobicContact CD1-CB 3.95Å; I75-E104 HydrophobicContact CD1-CG 4.15Å; I89-E104 HydrophobicContact CD1-CG 4.39Å; I89-E104 HydrophobicContact CG2-CG 3.53Å; R92-E104 IonicContact CZ-OE1 3.85Å; R92-E104 IonicContact NE-OE1 2.84Å; R92-E104 PolarHBondContact NE-OE1 3.17Å; R92-E104 IonicContact NH2-OE1 3.62Å
105	V	92.4	Very high	81.5	Confident	3 Å²	3	54.3 Å²	54.3	2%	0.018	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	123.3	175.4	-175.1	0	0	0	0	109.1	Y58 I90 F103 Q131	Y58-V105 CarbonylContact O-C 3.35Å; Y58-V105 WeakPolarHBondContact O-CA 3.33Å; I90-V105 HydrophobicContact CB-CB 4.21Å; I90-V105 HydrophobicContact CB-CG1 4.08Å; I90-V105 HydrophobicContact CD1-CG1 3.78Å; I90-V105 HydrophobicContact CG1-CG1 4.37Å; I90-V105 PolarHBondContact N-O 3.11Å; F103-V105 HydrophobicContact CD2-CG2 4.37Å; F103-V105 HydrophobicContact CE2-CG2 3.99Å; V105-Q131 VanDerWaalsContact CG2-OE1 3.23Å
106	I	92.3	Very high	81.1	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	147.9	177.6	68.2	173.4	0	0	0	110.3	E57 Y58 V60 I75 R88 I89 I108 L119	E57-I106 CarbonylContact C-O 3.36Å; E57-I106 VanDerWaalsContact CA-O 3.32Å; E57-I106 WeakPolarHBondContact CA-O 3.25Å; Y58-I106 PolarHBondContact N-O 3.29Å; Y58-I106 PolarHBondContact O-N 2.91Å; V60-I106 HydrophobicContact CG2-CD1 3.65Å; V60-I106 HydrophobicContact CG2-CG1 3.96Å; V60-I106 HydrophobicContact CG2-CG2 4.11Å; I75-I106 HydrophobicContact CD1-CG2 3.84Å; I75-I106 HydrophobicContact CG2-CG2 4.23Å; R88-I106 CarbonylContact O-C 3.33Å; I89-I106 HydrophobicContact CG1-CG2 4.37Å; I106-I108 HydrophobicContact CD1-CD1 3.55Å; I106-I108 HydrophobicContact CD1-CG1 3.95Å; I106-I108 HydrophobicContact CG1-CD1 4.39Å; I106-I108 HydrophobicContact CG1-CG1 4.37Å; I106-L119 HydrophobicContact CD1-CD1 3.46Å; I106-L119 VanDerWaalsContact CD1-CD1 3.46Å
107	Q	90.6	Very high	80.8	Confident	23 Å²	23	58.3 Å²	58.3	11%	0.107	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	118	168.9	-175.8	170.6	64.3	0	0	109.5	Y56 W87 R88 I90 K109	Y56-Q107 CarbonylContact O-C 3.13Å; Y56-Q107 WeakPolarHBondContact O-CA 3.18Å; W87-Q107 CarbonylContact C-O 3.32Å; W87-Q107 VanDerWaalsContact CA-O 3.23Å; W87-Q107 WeakPolarHBondContact CA-O 3.41Å; R88-Q107 HydrophobicContact CG-CB 4.04Å; R88-Q107 PolarHBondContact N-O 3.43Å; R88-Q107 PolarHBondContact O-N 3.02Å; I90-Q107 HydrophobicContact CD1-CB 3.98Å; I90-Q107 HydrophobicContact CG1-CB 4.15Å; Q107-K109 HydrophobicContact CG-CG 4.34Å
108	I	86.8	Confident	80.9	Confident	4 Å²	4	57.6 Å²	57.6	2%	0.021	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	110.9	175.6	-60.8	171.5	0	0	0	107.5	Y56 Y58 V84 W87 I106 E110 L116 L119	Y56-I108 VanDerWaalsContact CB-O 3.24Å; Y56-I108 WeakPolarHBondContact CB-O 3.31Å; Y56-I108 VanDerWaalsContact CD1-O 3.28Å; Y56-I108 WeakPolarHBondContact CD1-O 3.36Å; Y56-I108 PolarHBondContact O-N 3.33Å; Y58-I108 HydrophobicContact CD2-CB 4.49Å; Y58-I108 HydrophobicContact CD2-CD1 4.4Å; Y58-I108 HydrophobicContact CE2-CB 4.28Å; V84-I108 HydrophobicContact CG1-CG2 3.88Å; W87-I108 HydrophobicContact CB-CG1 4.01Å; I106-I108 HydrophobicContact CD1-CD1 3.55Å; I106-I108 HydrophobicContact CD1-CG1 3.95Å; I106-I108 HydrophobicContact CG1-CD1 4.39Å; I106-I108 HydrophobicContact CG1-CG1 4.37Å; I108-E110 HydrophobicContact CG2-CB 4.36Å; I108-E110 PolarHBondContact O-N 2.95Å; I108-L116 HydrophobicContact CD1-CD2 4.11Å; I108-L119 HydrophobicContact CD1-CD1 4.1Å
109	K	77.2	Confident	81.1	Confident	107 Å²	107	50.8 Å²	50.8	47%	0.465	25%	0.25	S	C	.	.			trans	-82.1	12.7	-172.5	-70.8	-176.2	177.1	177.4	0	114.6	N86 Q107	N86-K109 PolarHBondContact O-N 3.13Å; N86-K109 VanDerWaalsContact O-N 3.14Å; Q107-K109 HydrophobicContact CG-CG 4.34Å
110	E	68.9	Low	80.9	Confident	50 Å²	50	50.7 Å²	50.7	23%	0.234	25%	0.253	C	S	.	.			trans	-111.8	141.3	-177	-70.4	166.8	-154.1	0	0	110.4	N86 I108 Q112	N86-E110 WeakPolarHBondContact CB-OE1 3.44Å; N86-E110 PolarHBondContact N-OE1 2.93Å; I108-E110 HydrophobicContact CG2-CB 4.36Å; I108-E110 PolarHBondContact O-N 2.95Å; E110-Q112 VanDerWaalsContact C-N 3.27Å; E110-Q112 PolarHBondContact O-N 3.07Å
111	K	57.2	Low	80.6	Confident	183 Å²	183	54 Å²	54	80%	0.796	27%	0.266	S	S	*	.			trans	-79.9	-6.9	178.7	-72	-174.2	177.6	-177.6	0	113.4	Y56	Y56-K111 HydrophobicContact CE1-CG 4.32Å
112	Q	60.5	Low	80.4	Confident	120 Å²	120	55.3 Å²	55.3	56%	0.561	27%	0.272	S	S	*	.			trans	-74.8	128.4	-175.9	-73.9	-174.3	-1.9	0	0	110.9	E110 A114	E110-Q112 VanDerWaalsContact C-N 3.27Å; E110-Q112 PolarHBondContact O-N 3.07Å; Q112-A114 PolarHBondContact O-N 2.98Å
113	K	64.2	Low	80.3	Confident	149 Å²	149	59.1 Å²	59.1	65%	0.648	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-13.9	179.1	-70.5	-177	175.5	-178.5	0	113.9	G115 L116 L117	K113-G115 VanDerWaalsContact C-N 3.34Å; K113-G115 PolarHBondContact O-N 2.88Å; K113-L116 PolarHBondContact O-N 2.89Å; K113-L116 VanDerWaalsContact O-N 3.15Å; K113-L117 PolarHBondContact O-N 3.45Å
114	A	66.7	Low	80.1	Confident	54 Å²	54	61.8 Å²	61.8	45%	0.446	31%	0.313	S	S	.	.	H	α-helix	trans	-58.6	-42.4	-174.4	0	0	0	0	0	112.8	Q112 L116 L117 T118	Q112-A114 PolarHBondContact O-N 2.98Å; A114-L116 VanDerWaalsContact C-N 3.31Å; A114-L116 PolarHBondContact O-N 2.97Å; A114-L117 PolarHBondContact O-N 2.93Å; A114-T118 PolarHBondContact O-N 2.98Å
115	G	71.2	Confident	80	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.01	31%	0.313	C	S	.	.	H	α-helix	trans	-70.5	-21.9	178.8	0	0	0	0	0	115.2	K113 T118 L119	K113-G115 VanDerWaalsContact C-N 3.34Å; K113-G115 PolarHBondContact O-N 2.88Å; G115-T118 PolarHBondContact O-OG1 3.46Å; G115-T118 VanDerWaalsContact O-OG1 3.09Å; G115-L119 WeakPolarHBondContact O-CD1 3.26Å; G115-L119 WeakPolarHBondContact O-CG 3.42Å
116	L	77.3	Confident	79.8	Confident	35 Å²	35	67.1 Å²	67.1	18%	0.183	34%	0.336	C	S	.	.	H	α-helix	trans	-77.2	-40.7	174.9	-65	173.6	0	0	0	110.6	Y58 I108 K113 A114 T118 L119 E120 V128	Y58-L116 HydrophobicContact CD1-CD1 4.43Å; Y58-L116 HydrophobicContact CD1-CD2 3.75Å; Y58-L116 HydrophobicContact CD2-CD2 3.99Å; Y58-L116 HydrophobicContact CE1-CD1 3.71Å; Y58-L116 HydrophobicContact CE1-CD2 3.77Å; Y58-L116 HydrophobicContact CE1-CG 4.4Å; Y58-L116 HydrophobicContact CE2-CD2 4.01Å; Y58-L116 HydrophobicContact CG-CD2 3.86Å; I108-L116 HydrophobicContact CD1-CD2 4.11Å; K113-L116 PolarHBondContact O-N 2.89Å; K113-L116 VanDerWaalsContact O-N 3.15Å; A114-L116 VanDerWaalsContact C-N 3.31Å; A114-L116 PolarHBondContact O-N 2.97Å; L116-T118 PolarHBondContact O-N 2.47Å; L116-L119 PolarHBondContact O-N 3.32Å; L116-E120 PolarHBondContact O-N 3.29Å; L116-E120 VanDerWaalsContact O-N 3.14Å; L116-V128 HydrophobicContact CD2-CG1 3.99Å
117	L	78.9	Confident	79.5	Confident	100 Å²	100	69.7 Å²	69.7	52%	0.524	35%	0.346	S	S	.	.	H	α-helix	trans	-62.2	-42.4	177	-67	169.2	0	0	0	111.5	K113 A114 L119 E120 D121	K113-L117 PolarHBondContact O-N 3.45Å; A114-L117 PolarHBondContact O-N 2.93Å; L117-L119 VanDerWaalsContact C-N 3.27Å; L117-L119 PolarHBondContact O-N 2.74Å; L117-E120 PolarHBondContact O-N 3.13Å; L117-E120 VanDerWaalsContact O-N 3.13Å; L117-D121 PolarHBondContact O-N 3.11Å
118	T	83.6	Confident	79.4	Confident	34 Å²	34	69.1 Å²	69.1	21%	0.209	34%	0.344	C	S	.	.	H	α-helix	trans	-66	-28.7	178.2	56.7	0	0	0	0	113.6	A114 G115 L116	A114-T118 PolarHBondContact O-N 2.98Å; G115-T118 PolarHBondContact O-OG1 3.46Å; G115-T118 VanDerWaalsContact O-OG1 3.09Å; L116-T118 PolarHBondContact O-N 2.47Å
119	L	84.6	Confident	79.4	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-71.4	-39.4	172.7	-73.9	166.8	0	0	0	111.5	V60 I75 A78 L79 I106 I108 G115 L116 L117 D121 H122 I125 V128	V60-L119 HydrophobicContact CG2-CD1 4.49Å; I75-L119 HydrophobicContact CG2-CD2 4.3Å; A78-L119 HydrophobicContact CB-CD2 3.87Å; L79-L119 HydrophobicContact CD1-CD2 4.46Å; L79-L119 HydrophobicContact CD2-CD1 4.07Å; L79-L119 HydrophobicContact CD2-CD2 4.17Å; L79-L119 HydrophobicContact CD2-CG 3.88Å; L79-L119 HydrophobicContact CG-CD2 4.03Å; L79-L119 HydrophobicContact CG-CG 4.31Å; I106-L119 HydrophobicContact CD1-CD1 3.46Å; I106-L119 VanDerWaalsContact CD1-CD1 3.46Å; I108-L119 HydrophobicContact CD1-CD1 4.1Å; G115-L119 WeakPolarHBondContact O-CD1 3.26Å; G115-L119 WeakPolarHBondContact O-CG 3.42Å; L116-L119 PolarHBondContact O-N 3.32Å; L117-L119 VanDerWaalsContact C-N 3.27Å; L117-L119 PolarHBondContact O-N 2.74Å; L119-D121 VanDerWaalsContact C-N 3.31Å; L119-D121 PolarHBondContact O-N 3.06Å; L119-H122 PolarHBondContact O-N 3.4Å; L119-I125 HydrophobicContact CB-CD1 4.29Å; L119-I125 HydrophobicContact CD2-CD1 3.82Å; L119-I125 WeakPolarHBondContact O-CB 3.47Å; L119-I125 VanDerWaalsContact O-CD1 3.29Å; L119-I125 WeakPolarHBondContact O-CD1 3.42Å; L119-I125 WeakPolarHBondContact O-CG2 3.45Å; L119-V128 HydrophobicContact CB-CG2 3.64Å; L119-V128 HydrophobicContact CD1-CG2 4.44Å
120	E	83.6	Confident	79.7	Confident	96 Å²	96	67.4 Å²	67.4	45%	0.449	34%	0.344	S	S	.	.	H	α-helix	trans	-67.1	-31.2	177.4	-70.5	178.3	171.7	0	0	112.5	L116 L117 H122 V128	L116-E120 PolarHBondContact O-N 3.29Å; L116-E120 VanDerWaalsContact O-N 3.14Å; L117-E120 PolarHBondContact O-N 3.13Å; L117-E120 VanDerWaalsContact O-N 3.13Å; E120-H122 PolarHBondContact O-N 2.9Å; E120-V128 HydrophobicContact CG-CB 4.15Å; E120-V128 HydrophobicContact CG-CG2 3.96Å
121	D	85.9	Confident	80.4	Confident	136 Å²	136	65.4 Å²	65.4	73%	0.727	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-11.4	178	-71	-24.3	0	0	0	114.1	L117 L119	L117-D121 PolarHBondContact O-N 3.11Å; L119-D121 VanDerWaalsContact C-N 3.31Å; L119-D121 PolarHBondContact O-N 3.06Å
122	H	87.6	Confident	81.6	Confident	31 Å²	31	58.7 Å²	58.7	14%	0.144	30%	0.304	C	S	.	.	S	Bend	trans	-77	130.4	-176.6	-174.6	-82	0	0	0	111.9	A78 L119 E120 N124 I125	A78-H122 HydrophobicContact CB-CB 4.15Å; L119-H122 PolarHBondContact O-N 3.4Å; E120-H122 PolarHBondContact O-N 2.9Å; H122-N124 VanDerWaalsContact C-N 3.27Å; H122-N124 PolarHBondContact ND1-N 3.12Å; H122-N124 PolarHBondContact O-N 3.08Å; H122-I125 HydrophobicContact CB-CB 4.23Å; H122-I125 HydrophobicContact CB-CD1 3.88Å; H122-I125 HydrophobicContact CB-CG1 4.05Å; H122-I125 PolarHBondContact O-N 2.94Å
123	P	88.9	Confident	82.5	Confident	103 Å²	103	55.5 Å²	55.5	67%	0.669	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-23.6	-168.6	24.2	-36	0	0	0	115.6	N63	N63-P123 PolarHBondContact ND2-O 2.88Å
124	N	90.6	Very high	83.1	Confident	58 Å²	58	48.8 Å²	48.8	31%	0.31	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-6	177.7	-64.7	-41.7	0	0	0	113.9	F62 N63 F74 H122	F62-N124 WeakPolarHBondContact CA-O 3.16Å; N63-N124 PolarHBondContact N-O 3.27Å; N63-N124 VanDerWaalsContact N-O 3.07Å; F74-N124 HydrophobicContact CD2-CB 4.33Å; F74-N124 HydrophobicContact CE2-CB 4.33Å; H122-N124 VanDerWaalsContact C-N 3.27Å; H122-N124 PolarHBondContact ND1-N 3.12Å; H122-N124 PolarHBondContact O-N 3.08Å
125	I	90.4	Very high	83.5	Confident	9 Å²	9	49.3 Å²	49.3	5%	0.046	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	123.7	176	-66.4	179.4	0	0	0	107	V60 F62 L119 H122 V128	V60-I125 HydrophobicContact CG1-CB 4.49Å; V60-I125 HydrophobicContact CG1-CD1 3.76Å; V60-I125 HydrophobicContact CG1-CG1 3.93Å; V60-I125 HydrophobicContact CG1-CG2 3.8Å; F62-I125 HydrophobicContact CD1-CG1 4.11Å; F62-I125 HydrophobicContact CE1-CG1 3.92Å; L119-I125 HydrophobicContact CB-CD1 4.29Å; L119-I125 HydrophobicContact CD2-CD1 3.82Å; L119-I125 WeakPolarHBondContact O-CB 3.47Å; L119-I125 VanDerWaalsContact O-CD1 3.29Å; L119-I125 WeakPolarHBondContact O-CD1 3.42Å; L119-I125 WeakPolarHBondContact O-CG2 3.45Å; H122-I125 HydrophobicContact CB-CB 4.23Å; H122-I125 HydrophobicContact CB-CD1 3.88Å; H122-I125 HydrophobicContact CB-CG1 4.05Å; H122-I125 PolarHBondContact O-N 2.94Å; I125-V128 HydrophobicContact CG2-CG2 4.06Å
126	K	88.1	Confident	83.7	Confident	116 Å²	116	49.6 Å²	49.6	50%	0.504	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	-45.2	179.6	-172	-176.4	177.1	-165.9	0	110.8	A61 N63 D322	A61-K126 HydrophobicContact CB-CB 4.44Å; A61-K126 PolarHBondContact O-N 3.49Å; N63-K126 WeakPolarHBondContact OD1-CA 3.36Å; N63-K126 VanDerWaalsContact OD1-CB 3.23Å; N63-K126 WeakPolarHBondContact OD1-CB 3.23Å; K126-D322 IonicContact NZ-OD2 2.81Å; K126-D322 PolarHBondContact NZ-OD2 2.52Å
127	R	87.6	Confident	83.5	Confident	54 Å²	54	49.9 Å²	49.9	20%	0.204	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	150	-174.1	-168.1	171.7	57.8	-139.4	-8.2	110.6	A61 T129 H318 P319 D322	A61-R127 PolarHBondContact N-O 3.19Å; A61-R127 PolarHBondContact O-N 2.68Å; R127-T129 HydrophobicContact CG-CG2 3.81Å; R127-T129 VanDerWaalsContact NE-CG2 3.34Å; R127-H318 VanDerWaalsContact NH1-CB 3.26Å; R127-H318 VanDerWaalsContact NH2-CB 3.27Å; R127-H318 PolarHBondContact NH2-O 3.03Å; R127-P319 VanDerWaalsContact NH2-N 3.18Å; R127-D322 IonicContact CZ-OD2 3.84Å; R127-D322 IonicContact NH1-OD2 3.54Å; R127-D322 PolarHBondContact NH1-OD2 2.99Å; R127-D322 IonicContact NH2-OD2 3.8Å; R127-D322 PolarHBondContact NH2-OD2 3.28Å
128	V	88	Confident	83.3	Confident	12 Å²	12	45.9 Å²	45.9	7%	0.073	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	127.2	166.5	-173.9	0	0	0	0	108.4	Y58 I59 V60 L116 L119 E120 I125	Y58-V128 HydrophobicContact CD1-CG1 4.44Å; Y58-V128 HydrophobicContact CG-CG1 4.45Å; I59-V128 WeakPolarHBondContact O-CA 3.41Å; V60-V128 HydrophobicContact CG2-CG1 4.41Å; V60-V128 HydrophobicContact CG2-CG2 4.36Å; L116-V128 HydrophobicContact CD2-CG1 3.99Å; L119-V128 HydrophobicContact CB-CG2 3.64Å; L119-V128 HydrophobicContact CD1-CG2 4.44Å; E120-V128 HydrophobicContact CG-CB 4.15Å; E120-V128 HydrophobicContact CG-CG2 3.96Å; I125-V128 HydrophobicContact CG2-CG2 4.06Å
129	T	85.6	Confident	83	Confident	17 Å²	17	49 Å²	49	10%	0.104	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	145.8	179.7	51.8	0	0	0	0	110.9	Y58 I59 R127 Q131 P319	Y58-T129 CarbonylContact C-O 3.53Å; Y58-T129 WeakPolarHBondContact CA-O 3.16Å; I59-T129 PolarHBondContact N-O 3.18Å; I59-T129 PolarHBondContact O-N 3.13Å; R127-T129 HydrophobicContact CG-CG2 3.81Å; R127-T129 VanDerWaalsContact NE-CG2 3.34Å; T129-Q131 PolarHBondContact O-N 2.76Å; T129-P319 HydrophobicContact CG2-CG 3.99Å; T129-P319 WeakPolarHBondContact OG1-CG 3.38Å
130	P	83.8	Confident	82.6	Confident	58 Å²	58	52.3 Å²	52.3	38%	0.377	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56	136.6	170.6	20	-29	0	0	0	111.5	V53 R132	V53-P130 HydrophobicContact CB-CB 4.3Å; V53-P130 HydrophobicContact CG1-CB 3.33Å; V53-P130 HydrophobicContact CG1-CG 4.4Å; V53-P130 HydrophobicContact CG2-CB 4.03Å; V53-P130 HydrophobicContact CG2-CG 4.29Å; P130-R132 PolarHBondContact O-N 2.89Å
131	Q	83.7	Confident	82	Confident	8 Å²	8	50.2 Å²	50.2	4%	0.037	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	132.6	172.2	176.8	157.2	-68.3	0	0	109.5	V53 V54 E57 I59 V105 T129 Y287 S289	V53-Q131 CarbonylContact C-O 3.56Å; V53-Q131 WeakPolarHBondContact CA-O 3.34Å; V54-Q131 HydrophobicContact CB-CB 4.48Å; V54-Q131 HydrophobicContact CG2-CG 4.16Å; V54-Q131 PolarHBondContact N-O 3.45Å; E57-Q131 HydrophobicContact CB-CB 3.96Å; E57-Q131 PolarHBondContact O-N 3.4Å; E57-Q131 PolarHBondContact OE2-NE2 3.47Å; I59-Q131 HydrophobicContact CD1-CB 4.31Å; I59-Q131 HydrophobicContact CD1-CG 4.35Å; I59-Q131 HydrophobicContact CG1-CB 3.97Å; I59-Q131 HydrophobicContact CG1-CG 4.36Å; V105-Q131 VanDerWaalsContact CG2-OE1 3.23Å; T129-Q131 PolarHBondContact O-N 2.76Å; Q131-Y287 HydrophobicContact CG-CD1 4.31Å; Q131-S289 VanDerWaalsContact OE1-CB 3.28Å; Q131-S289 PolarHBondContact OE1-OG 3.45Å
132	R	82.6	Confident	80.9	Confident	41 Å²	41	51.3 Å²	51.3	16%	0.155	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	152.1	174.4	-60.9	173.9	120.4	168.9	-7.6	111.8	T52 V53 P130 Y287 T288 D314	T52-R132 CarbonylContact O-C 3.54Å; T52-R132 VanDerWaalsContact O-C 3.31Å; T52-R132 WeakPolarHBondContact O-CA 3.45Å; V53-R132 HydrophobicContact CG2-CG 4.13Å; P130-R132 PolarHBondContact O-N 2.89Å; R132-Y287 CarbonylContact O-C 3.58Å; R132-Y287 VanDerWaalsContact O-CA 3.32Å; R132-Y287 WeakPolarHBondContact O-CA 3.26Å; R132-T288 WeakPolarHBondContact CB-OG1 3.47Å; R132-T288 PolarHBondContact O-N 2.88Å; R132-T288 PolarHBondContact O-OG1 2.79Å; R132-D314 IonicContact CZ-OD1 3.85Å; R132-D314 IonicContact CZ-OD2 3.56Å; R132-D314 IonicContact NE-OD2 2.78Å; R132-D314 PolarHBondContact NE-OD2 2.94Å; R132-D314 IonicContact NH1-OD1 2.94Å; R132-D314 PolarHBondContact NH1-OD1 3.44Å; R132-D314 IonicContact NH1-OD2 3.23Å; R132-D314 PolarHBondContact NH1-OD2 3.31Å; R132-D314 IonicContact NH2-OD1 3.89Å; R132-D314 PolarHBondContact NH2-OD1 2.62Å; R132-D314 IonicContact NH2-OD2 2.64Å; R132-D314 PolarHBondContact NH2-OD2 2.9Å
133	K	80.4	Confident	79	Confident	54 Å²	54	52.3 Å²	52.3	24%	0.235	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	111.7	-179.5	164.5	-167	-173.2	-168.1	0	106.8	T52 V54 F135 V285 S286 Y287	T52-K133 WeakPolarHBondContact CA-O 3.33Å; T52-K133 WeakPolarHBondContact CB-O 3.46Å; T52-K133 PolarHBondContact N-O 3.23Å; T52-K133 WeakPolarHBondContact O-CA 2.98Å; T52-K133 PolarHBondContact O-N 3.4Å; T52-K133 WeakPolarHBondContact OG1-CB 3.2Å; T52-K133 WeakPolarHBondContact OG1-CD 3.45Å; T52-K133 VanDerWaalsContact OG1-CG 3.29Å; T52-K133 WeakPolarHBondContact OG1-CG 3.29Å; T52-K133 PolarHBondContact OG1-O 3.03Å; V54-K133 HydrophobicContact CG2-CB 3.68Å; K133-F135 HydrophobicContact CD-CE2 3.71Å; K133-F135 HydrophobicContact CD-CZ 4.02Å; K133-F135 VanDerWaalsContact CE-CE2 3.46Å; K133-F135 HydrophobicContact CG-CD2 4.42Å; K133-F135 HydrophobicContact CG-CE2 3.92Å; K133-V285 HydrophobicContact CD-CG1 4.04Å; K133-V285 HydrophobicContact CG-CG1 3.65Å; K133-S286 CarbonylContact C-O 3.51Å; K133-S286 WeakPolarHBondContact CA-O 3.33Å; K133-Y287 HydrophobicContact CB-CD1 3.66Å; K133-Y287 HydrophobicContact CB-CE1 3.61Å; K133-Y287 HydrophobicContact CB-CG 4.25Å; K133-Y287 HydrophobicContact CD-CE1 4.08Å; K133-Y287 HydrophobicContact CG-CD1 4.27Å; K133-Y287 HydrophobicContact CG-CE1 3.95Å; K133-Y287 HydrophobicContact CG-CE2 4.25Å
134	V	76.3	Confident	76.5	Confident	8 Å²	8	53.2 Å²	53.2	5%	0.048	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	128.3	-173	173.6	0	0	0	0	109.8	F49 F280 V285 S286	F49-V134 HydrophobicContact CD2-CG1 4Å; F49-V134 HydrophobicContact CE1-CG1 4.16Å; F49-V134 HydrophobicContact CE2-CG1 3.15Å; F49-V134 HydrophobicContact CZ-CB 4.28Å; F49-V134 HydrophobicContact CZ-CG1 3.25Å; F49-V134 HydrophobicContact CZ-CG2 4.07Å; V134-F280 HydrophobicContact CG1-CE1 4.31Å; V134-F280 HydrophobicContact CG1-CZ 4.5Å; V134-V285 CarbonylContact O-C 3.44Å; V134-V285 WeakPolarHBondContact O-CA 3.19Å; V134-S286 PolarHBondContact N-O 2.93Å; V134-S286 PolarHBondContact O-N 2.89Å
135	F	74.5	Confident	73.7	Confident	65 Å²	65	56.4 Å²	56.4	29%	0.285	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128.9	169.9	-71	-96.7	0	0	0	109.8	S50 T52 K133 V285	S50-F135 PolarHBondContact N-O 3.1Å; S50-F135 PolarHBondContact O-N 2.91Å; T52-F135 HydrophobicContact CG2-CD2 3.75Å; T52-F135 HydrophobicContact CG2-CE2 3.38Å; T52-F135 HydrophobicContact CG2-CZ 4.49Å; K133-F135 HydrophobicContact CD-CE2 3.71Å; K133-F135 HydrophobicContact CD-CZ 4.02Å; K133-F135 VanDerWaalsContact CE-CE2 3.46Å; K133-F135 HydrophobicContact CG-CD2 4.42Å; K133-F135 HydrophobicContact CG-CE2 3.92Å; F135-V285 HydrophobicContact CD1-CG2 3.6Å; F135-V285 HydrophobicContact CE1-CG2 3.42Å; F135-V285 VanDerWaalsContact CE1-CG2 3.42Å; F135-V285 HydrophobicContact CG-CG2 4.48Å; F135-V285 HydrophobicContact CZ-CG2 4.17Å
136	R	74.8	Confident	70.9	Confident	7 Å²	7	60.6 Å²	60.6	3%	0.026	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	135	171.5	-174.4	175.8	70.5	170.1	0.2	108.2	V47 E48 L138 D220 F280 Q284	V47-R136 HydrophobicContact CG1-CG 3.82Å; E48-R136 CarbonylContact O-C 3.57Å; E48-R136 WeakPolarHBondContact O-CA 3.39Å; R136-L138 HydrophobicContact CG-CD2 4.16Å; R136-L138 HydrophobicContact CG-CG 4.44Å; R136-D220 IonicContact CZ-OD1 3.8Å; R136-D220 IonicContact NH1-OD1 2.62Å; R136-D220 PolarHBondContact NH1-OD1 2.84Å; R136-D220 IonicContact NH1-OD2 2.94Å; R136-D220 IonicContact NH2-OD1 3.72Å; R136-D220 PolarHBondContact NH2-OD1 3.48Å; R136-F280 HydrophobicContact CB-CD1 4.29Å; R136-F280 HydrophobicContact CB-CE1 3.81Å; R136-F280 HydrophobicContact CB-CZ 4.41Å; R136-Q284 HydrophobicContact CB-CB 4.49Å; R136-Q284 PolarHBondContact N-O 2.89Å; R136-Q284 WeakPolarHBondContact O-CB 3.33Å; R136-Q284 VanDerWaalsContact O-CD 3.23Å; R136-Q284 PolarHBondContact O-OE1 2.74Å
137	S	74.6	Confident	68	Low	41 Å²	41	60.7 Å²	60.7	29%	0.287	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	109.3	172.4	-170.2	0	0	0	0	109.6	V47 E48 K139	V47-S137 WeakPolarHBondContact CA-O 2.85Å; E48-S137 PolarHBondContact N-O 3.22Å; E48-S137 PolarHBondContact O-N 3.11Å; S137-K139 PolarHBondContact O-N 3.04Å
138	L	74.6	Confident	65.1	Low	15 Å²	15	63.1 Å²	63.1	8%	0.079	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	96.1	174.7	-61.8	-179.5	0	0	0	108.7	L45 V47 R136 Y140 H251 Q284	L45-L138 HydrophobicContact CD1-CB 4.16Å; L45-L138 HydrophobicContact CD1-CD2 4.12Å; L45-L138 HydrophobicContact CD2-CD2 4.14Å; L45-L138 HydrophobicContact CG-CD2 4.35Å; V47-L138 HydrophobicContact CG1-CD2 4.21Å; V47-L138 HydrophobicContact CG2-CD2 3.82Å; R136-L138 HydrophobicContact CG-CD2 4.16Å; R136-L138 HydrophobicContact CG-CG 4.44Å; L138-Y140 HydrophobicContact CB-CE2 4.49Å; L138-H251 HydrophobicContact CD1-CB 3.68Å; L138-Q284 VanDerWaalsContact CB-OE1 3.29Å
139	K	76.5	Confident	62.2	Low	99 Å²	99	68.7 Å²	68.7	43%	0.43	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	120.5	173.4	-66.9	178.2	-177.1	166.4	0	109.1	K46 E48 S137	K46-K139 HydrophobicContact CB-CB 4.34Å; K46-K139 PolarHBondContact N-O 2.74Å; K46-K139 PolarHBondContact O-N 2.92Å; E48-K139 IonicContact OE1-NZ 3.85Å; E48-K139 PolarHBondContact OE1-NZ 2.94Å; E48-K139 VanDerWaalsContact OE2-CE 3.3Å; E48-K139 WeakPolarHBondContact OE2-CE 3.23Å; E48-K139 IonicContact OE2-NZ 3.14Å; E48-K139 PolarHBondContact OE2-NZ 3.11Å; S137-K139 PolarHBondContact O-N 3.04Å
140	Y	76.1	Confident	59.5	Low	70 Å²	70	74.9 Å²	74.9	28%	0.275	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	109.5	172.4	-60.7	-83.8	0	0	0	108.6	L43 L45 L138 R410 L412	L43-Y140 HydrophobicContact CB-CD1 4.47Å; L45-Y140 HydrophobicContact CD1-CD1 3.72Å; L45-Y140 HydrophobicContact CD1-CE1 3.31Å; L45-Y140 HydrophobicContact CD1-CE2 4.43Å; L45-Y140 HydrophobicContact CD1-CG 4.46Å; L138-Y140 HydrophobicContact CB-CE2 4.49Å; Y140-R410 VanDerWaalsContact CE1-NH2 3.29Å; Y140-L412 HydrophobicContact CD1-CD2 3.87Å; Y140-L412 HydrophobicContact CE1-CD1 4.28Å; Y140-L412 HydrophobicContact CE1-CD2 3.69Å
141	A	70.8	Confident	56.7	Low	53 Å²	53	79.4 Å²	79.4	44%	0.438	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	140	171.9	0	0	0	0	0	109.6	L43 T44	L43-A141 CarbonylContact C-O 3.33Å; L43-A141 WeakPolarHBondContact CA-O 3.2Å; T44-A141 PolarHBondContact N-O 3.45Å; T44-A141 PolarHBondContact O-N 2.99Å
142	E	62.6	Low	54.3	Low	158 Å²	158	85.7 Å²	85.7	74%	0.738	48%	0.478	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	133.1	166	-68.3	-171.9	165	0	0	108.9	L43 D144	L43-E142 HydrophobicContact CD2-CG 3.88Å; E142-D144 PolarHBondContact O-N 3.4Å
143	S	47.8	Very low	51.6	Low	53 Å²	53	94.5 Å²	94.5	37%	0.371	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-58.6	131.7	175.7	60.5	0	0	0	0	110.1	H42	H42-S143 WeakPolarHBondContact CB-OG 3.3Å; H42-S143 WeakPolarHBondContact O-CB 3.31Å; H42-S143 PolarHBondContact O-N 2.69Å; H42-S143 PolarHBondContact O-OG 3.09Å
144	D	37.7	Very low	49	Very low	122 Å²	122	101.6 Å²	101.6	65%	0.652	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-50.5	123.6	178.6	-143.6	-4.3	0	0	0	110.5	E142 T146	E142-D144 PolarHBondContact O-N 3.4Å; D144-T146 PolarHBondContact O-N 2.77Å; D144-T146 PolarHBondContact OD2-OG1 3.4Å
145	P	32.3	Very low	46.7	Very low	124 Å²	124	105.2 Å²	105.2	81%	0.805	56%	0.563	S	S	*	*	S	Bend	trans	-73.7	12.2	-175.7	28.1	-33	0	0	0	113.7	V147	P145-V147 VanDerWaalsContact C-N 3.34Å; P145-V147 PolarHBondContact O-N 3.26Å
146	T	30.4	Very low	44.7	Very low	98 Å²	98	111 Å²	111	60%	0.601	59%	0.591	S	S	*	*			trans	-90	23.6	-167.7	51.5	0	0	0	0	115	D144 P148	D144-T146 PolarHBondContact O-N 2.77Å; D144-T146 PolarHBondContact OD2-OG1 3.4Å; T146-P148 VanDerWaalsContact O-CD 3.32Å; T146-P148 WeakPolarHBondContact O-CD 3.3Å
147	V	28	Very low	42.2	Very low	117 Å²	117	118.8 Å²	118.8	71%	0.709	63%	0.625	S	S	*	*			trans	-109.5	95.1	167.4	-170.4	0	0	0	0	109.7	P145 C149	P145-V147 VanDerWaalsContact C-N 3.34Å; P145-V147 PolarHBondContact O-N 3.26Å; V147-C149 PolarHBondContact O-N 3.42Å
148	P	26.2	Very low	40	Very low	106 Å²	106	127.6 Å²	127.6	69%	0.688	65%	0.652	S	S	*	*			trans	-61.9	128.1	160.8	-9	23.5	0	0	0	107.8	T146 N150	T146-P148 VanDerWaalsContact O-CD 3.32Å; T146-P148 WeakPolarHBondContact O-CD 3.3Å; P148-N150 PolarHBondContact O-N 3.48Å
149	C	27.7	Very low	37.7	Very low	128 Å²	128	136 Å²	136	87%	0.865	69%	0.691	S	S	*	*	S	Bend	trans	-65.2	26.3	-178.8	-61.1	0	0	0	0	115.1	V147	V147-C149 PolarHBondContact O-N 3.42Å
150	N	28.4	Very low	35.4	Very low	147 Å²	147	136.5 Å²	136.5	79%	0.786	71%	0.707	S	S	*	*			trans	-146	44.1	-168.9	-125.1	12.1	0	0	0	114.6	P148	P148-N150 PolarHBondContact O-N 3.48Å
151	E	25.4	Very low	33.1	Very low	154 Å²	154	138.9 Å²	138.9	72%	0.72	73%	0.734	S	S	*	*			trans	-143.2	79.9	153.7	-74.9	-156.1	166.6	0	0	111.1	R153 W154	E151-R153 PolarHBondContact O-N 2.91Å; E151-W154 WeakPolarHBondContact OE2-CZ3 3.45Å
152	T	33.2	Very low	31.1	Very low	139 Å²	139	145.2 Å²	145.2	85%	0.853	75%	0.746	S	S	*	*			trans	-95.4	81.6	168.2	40	0	0	0	0	109.9
153	R	25.4	Very low	29.8	Very low	226 Å²	226	143.3 Å²	143.3	85%	0.853	75%	0.747	S	S	*	*			trans	-177.2	87.5	154.3	-108.6	175.9	-178.6	-172.7	0	109.7	E151	E151-R153 PolarHBondContact O-N 2.91Å
154	W	25.8	Very low	28.8	Very low	203 Å²	203	149.1 Å²	149.1	77%	0.769	77%	0.773	S	S	*	*			trans	-101.5	100.6	159.1	-127.6	-90.9	0	0	0	109.4	E151	E151-W154 WeakPolarHBondContact OE2-CZ3 3.45Å
155	S	27.5	Very low	28.4	Very low	84 Å²	84	154.3 Å²	154.3	59%	0.587	78%	0.784	S	S	*	*			trans	-64.7	133.5	150.8	53.3	0	0	0	0	107.7	K157	S155-K157 PolarHBondContact O-N 3.06Å
156	Q	32.2	Very low	28.2	Very low	188 Å²	188	160.4 Å²	160.4	88%	0.879	79%	0.791	S	S	*	*			trans	-44.3	107.6	164.6	-73	173.3	-33.5	0	0	110
157	K	24.1	Very low	28.2	Very low	169 Å²	169	160.5 Å²	160.5	74%	0.735	80%	0.802	S	S	*	*			trans	-142.5	108.9	166	-96.3	-168.7	176.3	-176.8	0	108.3	S155	S155-K157 PolarHBondContact O-N 3.06Å
158	W	28.4	Very low	28.2	Very low	226 Å²	226	160.4 Å²	160.4	86%	0.856	81%	0.806	S	S	*	*			trans	-55.5	133.9	167	-68.2	75.9	0	0	0	110.6
159	Q	25.3	Very low	28.3	Very low	193 Å²	193	163.1 Å²	163.1	90%	0.902	81%	0.814	S	S	*	*			trans	-104.4	91.6	167.2	-79	-172.6	-20.4	0	0	108.9
160	S	28	Very low	28.3	Very low	108 Å²	108	163 Å²	163	76%	0.755	82%	0.815	S	S	*	*			trans	-77.7	126.4	156.6	65.4	0	0	0	0	108.6	R162	S160-R162 PolarHBondContact O-N 3.36Å
161	S	27.7	Very low	28.2	Very low	121 Å²	121	164 Å²	164	85%	0.846	82%	0.819	S	S	*	*			trans	-73.2	85.2	176.5	38.3	0	0	0	0	111.8
162	R	29.8	Very low	28.2	Very low	185 Å²	185	160.2 Å²	160.2	70%	0.698	82%	0.822	S	S	*	*			trans	-143.8	136.2	151.3	-71.8	-164.4	177.9	174.1	1.8	111.4	S160	S160-R162 PolarHBondContact O-N 3.36Å
163	P	33.8	Very low	27.9	Very low	118 Å²	118	159.7 Å²	159.7	77%	0.766	82%	0.824	S	S	*	*			trans	-81	141	176.2	33.2	-29.2	0	0	0	108.3
164	L	27.2	Very low	28.1	Very low	175 Å²	175	152.8 Å²	152.8	92%	0.916	82%	0.823	S	S	*	*			trans	-170.3	148.1	141.2	-100.6	164.8	0	0	0	112.6
165	R	29.8	Very low	28.1	Very low	232 Å²	232	152.2 Å²	152.2	88%	0.875	83%	0.826	S	S	*	*			trans	-65.1	160	-179.9	-71	168.8	159.6	-176.4	-4.3	112.8
166	R	28.8	Very low	28.1	Very low	251 Å²	251	159.2 Å²	159.2	95%	0.947	84%	0.84	S	S	*	*			trans	96.6	126.5	157.1	-79.1	-176.7	177.5	172.2	1.1	117.5
167	A	30.3	Very low	27.9	Very low	101 Å²	101	159.3 Å²	159.3	84%	0.835	84%	0.84	S	S	*	*			trans	-86.6	144.3	172.9	0	0	0	0	0	111.5
168	S	27.3	Very low	27.9	Very low	115 Å²	115	155.9 Å²	155.9	80%	0.804	84%	0.843	S	S	*	*			trans	-156.2	110.4	147.3	54.4	0	0	0	0	111.1
169	L	28.9	Very low	28	Very low	162 Å²	162	152.1 Å²	152.1	85%	0.848	85%	0.846	S	S	*	*			trans	2.7	127.3	147.1	-60	160.5	0	0	0	119.1
170	S	26.5	Very low	28.1	Very low	126 Å²	126	146.3 Å²	146.3	88%	0.881	84%	0.837	S	S	*	*				-154.6	140.6	122	73.3	0	0	0	0	111.1
171	L	26.9	Very low	28.1	Very low	167 Å²	167	152.1 Å²	152.1	87%	0.874	84%	0.843	S	S	*	*			trans	-96.7	155.5	-177.6	-104.3	91.1	0	0	0	110.7
172	G	25.2	Very low	28.3	Very low	76 Å²	76	155.5 Å²	155.5	78%	0.784	85%	0.845	S	S	*	*			trans	117	140.5	159.8	0	0	0	0	0	113.3
173	S	28.1	Very low	28.4	Very low	127 Å²	127	152.1 Å²	152.1	89%	0.888	85%	0.849	S	S	*	*			cis	-164.3	125.9	-6.3	47	0	0	0	0	106.1
174	G	28.3	Very low	28.5	Very low	81 Å²	81	151.5 Å²	151.5	84%	0.835	85%	0.848	S	S	*	*			trans	-174.3	24.3	-179.5	0	0	0	0	0	115
175	F	27	Very low	29.1	Very low	192 Å²	192	155.1 Å²	155.1	84%	0.842	85%	0.849	S	S	*	*			trans	-96.1	112	167.6	-112.3	-99.9	0	0	0	106.2
176	W	26.3	Very low	29.3	Very low	230 Å²	230	154.3 Å²	154.3	87%	0.871	85%	0.846	S	S	*	*			trans	161.2	93.7	147.9	-72.7	120.5	0	0	0	107.2
177	H	27.5	Very low	29.8	Very low	191 Å²	191	151.2 Å²	151.2	88%	0.884	85%	0.847	S	S	*	*			trans	157.3	75.1	149.8	-78.2	-50	0	0	0	110.1
178	A	25.8	Very low	30.2	Very low	97 Å²	97	152.9 Å²	152.9	80%	0.802	84%	0.841	S	S	*	*			trans	-155.5	60.6	160.8	0	0	0	0	0	109.1	G180	A178-G180 PolarHBondContact O-N 3.27Å
179	T	28.5	Very low	30.5	Very low	147 Å²	147	158.8 Å²	158.8	90%	0.902	85%	0.846	S	S	*	*			trans	-83.9	97.7	170.2	46.3	0	0	0	0	108.7
180	G	28.4	Very low	30.9	Very low	70 Å²	70	155.8 Å²	155.8	72%	0.722	85%	0.845	S	S	*	*			trans	179.6	40.3	177.3	0	0	0	0	0	113.6	A178	A178-G180 PolarHBondContact O-N 3.27Å
181	R	28.9	Very low	31.6	Very low	231 Å²	231	156.4 Å²	156.4	87%	0.872	84%	0.837	S	S	*	*			trans	-104.4	101.7	169.5	-81.9	-176.1	176	164.1	1.4	109.1	S183	R181-S183 PolarHBondContact O-N 3.47Å
182	H	31.1	Very low	32.7	Very low	192 Å²	192	152.4 Å²	152.4	89%	0.889	82%	0.821	S	S	*	*			trans	-64	105.9	161.4	-84	-72.4	0	0	0	108.8
183	S	32.5	Very low	34.4	Very low	113 Å²	113	157.6 Å²	157.6	79%	0.79	82%	0.817	S	S	*	*			trans	-82.9	104.8	165.6	-179.6	0	0	0	0	108.3	R181	R181-S183 PolarHBondContact O-N 3.47Å
184	S	34.6	Very low	37	Very low	106 Å²	106	152.9 Å²	152.9	74%	0.741	78%	0.78	S	S	*	*			trans	-135.5	92.4	153.5	64.9	0	0	0	0	108.2	R186	S184-R186 VanDerWaalsContact C-N 3.35Å; S184-R186 PolarHBondContact O-N 3.13Å
185	R	40.2	Very low	39.9	Very low	251 Å²	251	149.2 Å²	149.2	95%	0.947	74%	0.742	S	S	*	*			trans	-64.4	97.6	162.4	-76	-179.2	176.5	-178.5	-1.8	108
186	R	34.7	Very low	42.8	Very low	215 Å²	215	140.1 Å²	140.1	81%	0.811	70%	0.702	S	S	*	*			trans	-112.1	108.9	154.5	-102.3	-178.5	179.2	175.5	0	107.3	S184 L188	S184-R186 VanDerWaalsContact C-N 3.35Å; S184-R186 PolarHBondContact O-N 3.13Å; R186-L188 PolarHBondContact O-N 3.13Å
187	L	39.8	Very low	45.7	Very low	186 Å²	186	134 Å²	134	97%	0.974	68%	0.683	S	S	*	*			trans	-59.2	87.5	158.1	-95.7	148.2	0	0	0	107.5
188	L	38.3	Very low	48.7	Very low	135 Å²	135	126.6 Å²	126.6	71%	0.707	65%	0.652	S	S	*	*			trans	-98.2	114.1	159	-74.3	168.5	0	0	0	105.9	R186 A190	R186-L188 PolarHBondContact O-N 3.13Å; L188-A190 PolarHBondContact O-N 3.18Å; L188-A190 VanDerWaalsContact O-N 3.14Å
189	R	33	Very low	51.8	Low	239 Å²	239	122.5 Å²	122.5	90%	0.902	62%	0.616	S	S	*	*			trans	-34.6	119.3	156.6	-124.2	172.5	171.4	175.4	-3.7	107.8	I191	R189-I191 VanDerWaalsContact C-N 3.33Å; R189-I191 PolarHBondContact O-N 3.01Å
190	A	36.8	Very low	54.9	Low	99 Å²	99	120 Å²	120	82%	0.818	59%	0.594	S	S	*	*			trans	-62.4	94.4	-178.7	0	0	0	0	0	109.2	L188	L188-A190 PolarHBondContact O-N 3.18Å; L188-A190 VanDerWaalsContact O-N 3.14Å
191	I	42.6	Very low	57.9	Low	139 Å²	139	116.6 Å²	116.6	71%	0.713	56%	0.56	S	S	*	*			trans	-59.7	122.9	160.8	-60.5	171.5	0	0	0	104.4	R189 R193	R189-I191 VanDerWaalsContact C-N 3.33Å; R189-I191 PolarHBondContact O-N 3.01Å; I191-R193 PolarHBondContact O-N 3.06Å
192	P	49.2	Very low	60.9	Low	83 Å²	83	108.2 Å²	108.2	54%	0.539	53%	0.532	S	S	.	.			trans	-58.2	110.6	-179.3	20.9	-29.7	0	0	0	108.3
193	R	62	Low	63.8	Low	185 Å²	185	100.6 Å²	100.6	70%	0.698	50%	0.499	S	S	*	.			trans	-78.1	128.3	-175.7	-67.1	-173.8	179.2	179.6	-0	109.3	I191	I191-R193 PolarHBondContact O-N 3.06Å
194	Q	81.3	Confident	66.6	Low	28 Å²	28	95.2 Å²	95.2	13%	0.131	46%	0.461	C	S	.	.			trans	-62.6	134.1	168.7	-175.7	104.9	56	0	0	109.6	A196 Q197 T198 Q266	Q194-A196 VanDerWaalsContact C-N 3.27Å; Q194-A196 HydrophobicContact CG-CB 4.11Å; Q194-A196 PolarHBondContact O-N 2.99Å; Q194-Q197 HydrophobicContact CB-CB 4.32Å; Q194-Q197 HydrophobicContact CB-CG 4.1Å; Q194-Q197 PolarHBondContact O-N 2.82Å; Q194-Q197 VanDerWaalsContact O-N 3.1Å; Q194-T198 PolarHBondContact O-N 3.06Å; Q194-T198 PolarHBondContact O-OG1 2.95Å; Q194-Q266 WeakPolarHBondContact CG-O 3.3Å; Q194-Q266 PolarHBondContact NE2-O 2.86Å
195	V	89.4	Confident	69.4	Low	5 Å²	5	92 Å²	92	3%	0.03	43%	0.433	C	S	.	.	H	α-helix	trans	-57.9	-38.7	179.7	173.2	0	0	0	0	112.4	Q197 T198 L199 F268 F365 Y396 V400 V421	V195-Q197 VanDerWaalsContact C-N 3.32Å; V195-Q197 PolarHBondContact O-N 3.17Å; V195-T198 PolarHBondContact O-N 2.83Å; V195-L199 HydrophobicContact CG1-CD1 4.13Å; V195-L199 PolarHBondContact O-N 2.78Å; V195-F268 HydrophobicContact CG1-CE2 4.17Å; V195-F268 HydrophobicContact CG1-CZ 4Å; V195-F365 HydrophobicContact CG2-CE1 3.88Å; V195-F365 HydrophobicContact CG2-CZ 3.63Å; V195-Y396 HydrophobicContact CG1-CD2 3.98Å; V195-Y396 HydrophobicContact CG1-CG 4.49Å; V195-V400 HydrophobicContact CB-CG1 4.4Å; V195-V400 HydrophobicContact CG2-CB 4.14Å; V195-V400 HydrophobicContact CG2-CG1 3.65Å; V195-V400 HydrophobicContact CG2-CG2 3.85Å; V195-V421 HydrophobicContact CG1-CG1 3.75Å; V195-V421 HydrophobicContact CG1-CG2 3.89Å
196	A	88.4	Confident	72	Confident	1 Å²	1	86 Å²	86	1%	0.008	42%	0.416	C	S	.	.	H	α-helix	trans	-58.9	-40.5	176.5	0	0	0	0	0	112.9	Q194 Q200 A201 W205 F268	Q194-A196 VanDerWaalsContact C-N 3.27Å; Q194-A196 HydrophobicContact CG-CB 4.11Å; Q194-A196 PolarHBondContact O-N 2.99Å; A196-Q200 PolarHBondContact O-N 2.88Å; A196-A201 HydrophobicContact CB-CB 4.21Å; A196-A201 VanDerWaalsContact O-CB 3.24Å; A196-A201 WeakPolarHBondContact O-CB 3.34Å; A196-A201 PolarHBondContact O-N 3Å; A196-W205 HydrophobicContact CB-CH2 3.76Å; A196-W205 HydrophobicContact CB-CZ2 4.03Å; A196-F268 HydrophobicContact CB-CD1 4.33Å; A196-F268 HydrophobicContact CB-CD2 4.27Å; A196-F268 HydrophobicContact CB-CE1 4.25Å; A196-F268 HydrophobicContact CB-CE2 4.17Å; A196-F268 HydrophobicContact CB-CG 4.33Å; A196-F268 HydrophobicContact CB-CZ 4.15Å
197	Q	87.7	Confident	74.6	Confident	100 Å²	100	78 Å²	78	47%	0.467	39%	0.388	S	S	.	.	H	α-helix	trans	-73.1	-37.8	176.4	-66.1	175	-3.3	0	0	111.7	Q194 V195 L199 Q200	Q194-Q197 HydrophobicContact CB-CB 4.32Å; Q194-Q197 HydrophobicContact CB-CG 4.1Å; Q194-Q197 PolarHBondContact O-N 2.82Å; Q194-Q197 VanDerWaalsContact O-N 3.1Å; V195-Q197 VanDerWaalsContact C-N 3.32Å; V195-Q197 PolarHBondContact O-N 3.17Å; Q197-L199 VanDerWaalsContact C-N 3.25Å; Q197-L199 PolarHBondContact O-N 2.96Å; Q197-Q200 PolarHBondContact O-N 2.96Å
198	T	89.6	Confident	77.1	Confident	37 Å²	37	71.9 Å²	71.9	23%	0.227	37%	0.37	C	S	.	.	H	α-helix	trans	-62.5	-35.2	176.7	-56.1	0	0	0	0	111.8	Q194 V195 Q200 Y396	Q194-T198 PolarHBondContact O-N 3.06Å; Q194-T198 PolarHBondContact O-OG1 2.95Å; V195-T198 PolarHBondContact O-N 2.83Å; T198-Q200 VanDerWaalsContact C-N 3.29Å; T198-Y396 HydrophobicContact CG2-CE2 3.54Å; T198-Y396 VanDerWaalsContact CG2-OH 3.32Å; T198-Y396 WeakPolarHBondContact CG2-OH 3.41Å
199	L	91.6	Very high	79.8	Confident	10 Å²	10	68.2 Å²	68.2	5%	0.052	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	14.2	174	-68.6	176	0	0	0	113.6	V195 Q197 A201 F268 Y396 V421 L468 L470	V195-L199 HydrophobicContact CG1-CD1 4.13Å; V195-L199 PolarHBondContact O-N 2.78Å; Q197-L199 VanDerWaalsContact C-N 3.25Å; Q197-L199 PolarHBondContact O-N 2.96Å; L199-A201 VanDerWaalsContact C-N 3.31Å; L199-A201 PolarHBondContact O-N 2.9Å; L199-F268 HydrophobicContact CB-CE1 4.04Å; L199-F268 HydrophobicContact CB-CZ 4.26Å; L199-F268 HydrophobicContact CD1-CE1 4.16Å; L199-F268 HydrophobicContact CD1-CZ 3.79Å; L199-Y396 HydrophobicContact CD1-CD2 4.19Å; L199-Y396 HydrophobicContact CD2-CD2 4.27Å; L199-Y396 HydrophobicContact CD2-CE2 3.86Å; L199-Y396 HydrophobicContact CG-CD2 4.09Å; L199-Y396 HydrophobicContact CG-CE2 3.98Å; L199-V421 HydrophobicContact CD1-CG1 3.67Å; L199-L468 HydrophobicContact CD1-CD2 3.98Å; L199-L470 WeakPolarHBondContact O-CB 3.34Å; L199-L470 WeakPolarHBondContact O-CD2 3.4Å
200	Q	92.5	Very high	82.6	Confident	94 Å²	94	58.2 Å²	58.2	44%	0.439	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	30.7	172.2	-50.9	-179.1	-85.9	0	0	115.1	A196 Q197 T198 D202 V203 L471	A196-Q200 PolarHBondContact O-N 2.88Å; Q197-Q200 PolarHBondContact O-N 2.96Å; T198-Q200 VanDerWaalsContact C-N 3.29Å; Q200-D202 VanDerWaalsContact C-OD1 3.3Å; Q200-D202 VanDerWaalsContact CA-OD1 3.32Å; Q200-D202 WeakPolarHBondContact CA-OD1 3.34Å; Q200-D202 PolarHBondContact O-N 3.19Å; Q200-V203 HydrophobicContact CB-CG2 4.33Å; Q200-V203 PolarHBondContact O-N 3.38Å; Q200-L471 HydrophobicContact CB-CD1 3.96Å; Q200-L471 HydrophobicContact CB-CG 4.18Å; Q200-L471 HydrophobicContact CG-CD1 4.47Å
201	A	91.6	Very high	85.3	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.6	-25.6	175.1	0	0	0	0	0	112.7	A196 L199 V203 L204 W205 F268 L428 L470	A196-A201 HydrophobicContact CB-CB 4.21Å; A196-A201 VanDerWaalsContact O-CB 3.24Å; A196-A201 WeakPolarHBondContact O-CB 3.34Å; A196-A201 PolarHBondContact O-N 3Å; L199-A201 VanDerWaalsContact C-N 3.31Å; L199-A201 PolarHBondContact O-N 2.9Å; A201-V203 PolarHBondContact O-N 2.83Å; A201-L204 PolarHBondContact O-N 3.11Å; A201-W205 HydrophobicContact CB-CH2 4.26Å; A201-W205 HydrophobicContact CB-CZ2 3.7Å; A201-W205 PolarHBondContact O-N 2.77Å; A201-F268 HydrophobicContact CB-CD1 3.89Å; A201-F268 HydrophobicContact CB-CE1 4.22Å; A201-L428 HydrophobicContact CB-CD2 3.92Å; A201-L470 HydrophobicContact CB-CD2 3.87Å
202	D	91.1	Very high	87.7	Confident	54 Å²	54	49 Å²	49	29%	0.289	26%	0.257	S	S	.	.	H	α-helix	trans	-59.3	-30.9	176.9	64.7	-47.9	0	0	0	113.4	Q200 W205 Q206	Q200-D202 VanDerWaalsContact C-OD1 3.3Å; Q200-D202 VanDerWaalsContact CA-OD1 3.32Å; Q200-D202 WeakPolarHBondContact CA-OD1 3.34Å; Q200-D202 PolarHBondContact O-N 3.19Å; D202-W205 VanDerWaalsContact CA-CE3 3.5Å; D202-W205 HydrophobicContact CB-CE3 4Å; D202-W205 HydrophobicContact CB-CZ3 4.28Å; D202-W205 PolarHBondContact O-N 2.95Å; D202-Q206 VanDerWaalsContact O-CG 3.24Å; D202-Q206 WeakPolarHBondContact O-CG 3.48Å; D202-Q206 PolarHBondContact O-N 2.7Å
203	V	92.5	Very high	89.7	Confident	32 Å²	32	50.4 Å²	50.4	19%	0.194	26%	0.26	C	S	.	.	H	α-helix	trans	-65.6	-41.5	175	177.8	0	0	0	0	110.9	Q200 A201 Q206 M207 L471	Q200-V203 HydrophobicContact CB-CG2 4.33Å; Q200-V203 PolarHBondContact O-N 3.38Å; A201-V203 PolarHBondContact O-N 2.83Å; V203-Q206 PolarHBondContact O-N 2.81Å; V203-M207 HydrophobicContact CG1-CE 3.74Å; V203-M207 WeakPolarHBondContact O-CG 3.33Å; V203-M207 PolarHBondContact O-N 2.91Å; V203-L471 HydrophobicContact CB-CD2 3.99Å; V203-L471 HydrophobicContact CG1-CD2 3.99Å
204	L	92.6	Very high	91.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-72.3	-36.1	177.4	-64.7	-178.2	0	0	0	111.7	A201 Q206 M207 G208 Y209 L428 L429 L470 L471 Y474	A201-L204 PolarHBondContact O-N 3.11Å; L204-Q206 VanDerWaalsContact C-N 3.32Å; L204-Q206 PolarHBondContact O-N 3.09Å; L204-M207 HydrophobicContact CD2-SD 4.02Å; L204-M207 WeakPolarHBondContact O-CA 3.27Å; L204-M207 WeakPolarHBondContact O-CB 3.28Å; L204-M207 PolarHBondContact O-N 2.97Å; L204-M207 VanDerWaalsContact O-N 3.09Å; L204-G208 PolarHBondContact O-N 3.36Å; L204-Y209 CarbonylContact C-O 2.87Å; L204-Y209 PolarHBondContact O-N 2.92Å; L204-L428 HydrophobicContact CB-CD1 4.46Å; L204-L428 HydrophobicContact CB-CD2 4.08Å; L204-L428 HydrophobicContact CB-CG 4.35Å; L204-L428 HydrophobicContact CD1-CD2 3.79Å; L204-L428 HydrophobicContact CD1-CG 3.93Å; L204-L429 HydrophobicContact CD1-CD2 4.5Å; L204-L470 HydrophobicContact CD1-CD1 4.11Å; L204-L470 HydrophobicContact CD1-CD2 4.01Å; L204-L470 HydrophobicContact CD1-CG 3.89Å; L204-L471 HydrophobicContact CD2-CD2 4.39Å; L204-L471 HydrophobicContact CG-CD2 4.33Å; L204-Y474 HydrophobicContact CD2-CD1 3.9Å; L204-Y474 HydrophobicContact CD2-CD2 4.2Å; L204-Y474 HydrophobicContact CD2-CE1 4.26Å; L204-Y474 HydrophobicContact CD2-CG 3.85Å
205	W	93.5	Very high	92	Very high	38 Å²	38	43.4 Å²	43.4	14%	0.144	23%	0.232	C	C	.	.	H	α-helix	trans	-61.2	-40.6	172.4	-57.4	-23.3	0	0	0	112	A196 A201 D202 M207 G208 Y209 T210 Q266 G267 F268	A196-W205 HydrophobicContact CB-CH2 3.76Å; A196-W205 HydrophobicContact CB-CZ2 4.03Å; A201-W205 HydrophobicContact CB-CH2 4.26Å; A201-W205 HydrophobicContact CB-CZ2 3.7Å; A201-W205 PolarHBondContact O-N 2.77Å; D202-W205 VanDerWaalsContact CA-CE3 3.5Å; D202-W205 HydrophobicContact CB-CE3 4Å; D202-W205 HydrophobicContact CB-CZ3 4.28Å; D202-W205 PolarHBondContact O-N 2.95Å; W205-M207 PolarHBondContact O-N 2.99Å; W205-G208 WeakPolarHBondContact O-CA 3.34Å; W205-G208 PolarHBondContact O-N 3.01Å; W205-Y209 WeakPolarHBondContact CA-O 3.35Å; W205-Y209 VanDerWaalsContact CD1-O 3.28Å; W205-Y209 PolarHBondContact N-O 2.88Å; W205-T210 HydrophobicContact CB-CG2 4.44Å; W205-T210 HydrophobicContact CG-CG2 4.45Å; W205-Q266 HydrophobicContact CH2-CB 4.44Å; W205-Q266 HydrophobicContact CH2-CG 3.71Å; W205-Q266 HydrophobicContact CZ2-CG 4.32Å; W205-Q266 VanDerWaalsContact CZ3-CD 3.47Å; W205-Q266 HydrophobicContact CZ3-CG 4.12Å; W205-G267 WeakPolarHBondContact CZ2-O 3.29Å; W205-F268 PolarHBondContact NE1-O 3.05Å
206	Q	93	Very high	92.3	Very high	125 Å²	125	43.1 Å²	43.1	58%	0.584	23%	0.231	S	C	*	.	H	α-helix	trans	-64.9	-27.1	174.9	-73.9	168.7	34	0	0	112.8	D202 V203 L204 G208	D202-Q206 VanDerWaalsContact O-CG 3.24Å; D202-Q206 WeakPolarHBondContact O-CG 3.48Å; D202-Q206 PolarHBondContact O-N 2.7Å; V203-Q206 PolarHBondContact O-N 2.81Å; L204-Q206 VanDerWaalsContact C-N 3.32Å; L204-Q206 PolarHBondContact O-N 3.09Å; Q206-G208 PolarHBondContact O-N 2.74Å
207	M	90.9	Very high	92.7	Very high	49 Å²	49	43.1 Å²	43.1	24%	0.241	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-2.4	171.4	-64.9	173.9	-173.5	0	0	113.1	V203 L204 W205 Y209 Y474 P965 F967	V203-M207 HydrophobicContact CG1-CE 3.74Å; V203-M207 WeakPolarHBondContact O-CG 3.33Å; V203-M207 PolarHBondContact O-N 2.91Å; L204-M207 HydrophobicContact CD2-SD 4.02Å; L204-M207 WeakPolarHBondContact O-CA 3.27Å; L204-M207 WeakPolarHBondContact O-CB 3.28Å; L204-M207 PolarHBondContact O-N 2.97Å; L204-M207 VanDerWaalsContact O-N 3.09Å; W205-M207 PolarHBondContact O-N 2.99Å; M207-Y209 HydrophobicContact CB-CD2 3.78Å; M207-Y209 HydrophobicContact CB-CE2 3.99Å; M207-Y474 HydrophobicContact SD-CE1 4.2Å; M207-P965 HydrophobicContact CE-CG 4.3Å; M207-F967 HydrophobicContact CE-CE2 3.83Å; M207-F967 HydrophobicContact CG-CE2 4.17Å; M207-F967 HydrophobicContact CG-CZ 4.25Å
208	G	92.1	Very high	93.1	Very high	57 Å²	57	38.4 Å²	38.4	59%	0.588	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.6	6.1	179.3	0	0	0	0	0	114.7	L204 W205 Q206	L204-G208 PolarHBondContact O-N 3.36Å; W205-G208 WeakPolarHBondContact O-CA 3.34Å; W205-G208 PolarHBondContact O-N 3.01Å; Q206-G208 PolarHBondContact O-N 2.74Å
209	Y	93.9	Very high	93.2	Very high	58 Å²	58	36.7 Å²	36.7	23%	0.227	20%	0.198	C	C	.	.			trans	-94.2	119.5	176.9	-58.8	-66.6	0	0	0	110.1	L204 W205 M207 L428 S431 T432 Y474	L204-Y209 CarbonylContact C-O 2.87Å; L204-Y209 PolarHBondContact O-N 2.92Å; W205-Y209 WeakPolarHBondContact CA-O 3.35Å; W205-Y209 VanDerWaalsContact CD1-O 3.28Å; W205-Y209 PolarHBondContact N-O 2.88Å; M207-Y209 HydrophobicContact CB-CD2 3.78Å; M207-Y209 HydrophobicContact CB-CE2 3.99Å; Y209-L428 VanDerWaalsContact O-CD1 3.27Å; Y209-L428 WeakPolarHBondContact O-CD1 3.35Å; Y209-S431 WeakPolarHBondContact CD1-O 3.44Å; Y209-T432 HydrophobicContact CD1-CG2 4.08Å; Y209-T432 HydrophobicContact CD2-CG2 3.83Å; Y209-T432 HydrophobicContact CE2-CG2 4.33Å; Y209-T432 HydrophobicContact CG-CG2 3.68Å; Y209-Y474 HydrophobicContact CE2-CE2 4.46Å
210	T	93	Very high	93.1	Very high	28 Å²	28	36.2 Å²	36.2	17%	0.172	20%	0.196	C	C	.	.	S	Bend	trans	-134.2	12.8	-177.3	52.5	0	0	0	0	113.2	W205 A269 P270 D271	W205-T210 HydrophobicContact CB-CG2 4.44Å; W205-T210 HydrophobicContact CG-CG2 4.45Å; T210-A269 CarbonylContact O-C 3.41Å; T210-A269 VanDerWaalsContact O-CA 3.3Å; T210-A269 WeakPolarHBondContact O-CA 3.33Å; T210-P270 WeakPolarHBondContact O-CD 3.5Å; T210-D271 VanDerWaalsContact CB-OD2 3.25Å; T210-D271 WeakPolarHBondContact CB-OD2 3.25Å; T210-D271 PolarHBondContact O-N 3.41Å; T210-D271 WeakPolarHBondContact OG1-CB 3.4Å; T210-D271 PolarHBondContact OG1-OD2 2.9Å
211	G	92.7	Very high	92.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.175	C	C	.	.			trans	91.7	4.8	-174.8	0	0	0	0	0	114.9	N213 V214 A272 S431	G211-N213 PolarHBondContact O-N 2.93Å; G211-V214 WeakPolarHBondContact O-CB 3.18Å; G211-V214 PolarHBondContact O-N 3.15Å; G211-A272 VanDerWaalsContact O-CA 3.29Å; G211-A272 WeakPolarHBondContact O-CA 3.37Å; G211-S431 PolarHBondContact N-OG 3.04Å
212	A	92.8	Very high	92.6	Very high	44 Å²	44	31.8 Å²	31.8	36%	0.364	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	139.7	-177.6	0	0	0	0	0	112.6	V214 D271	A212-V214 PolarHBondContact O-N 3.17Å; A212-D271 HydrophobicContact CB-CB 4.32Å
213	N	91	Very high	92.5	Very high	114 Å²	114	29.3 Å²	29.3	61%	0.61	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.1	17.8	-178	-55.3	-28.5	0	0	0	114.9	G211 R436	G211-N213 PolarHBondContact O-N 2.93Å; N213-R436 VanDerWaalsContact O-CZ 3.26Å; N213-R436 PolarHBondContact O-NH1 3.46Å; N213-R436 PolarHBondContact O-NH2 3.23Å
214	V	95.2	Very high	92.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.164	C	C	.	.			trans	-104	126.7	173.3	-175.7	0	0	0	0	108.8	G211 A212 V216 E273 D304 V305 T427 V430	G211-V214 WeakPolarHBondContact O-CB 3.18Å; G211-V214 PolarHBondContact O-N 3.15Å; A212-V214 PolarHBondContact O-N 3.17Å; V214-V216 HydrophobicContact CG1-CG2 4.32Å; V214-E273 PolarHBondContact O-N 2.89Å; V214-D304 HydrophobicContact CG1-CB 4.04Å; V214-V305 HydrophobicContact CG1-CG2 4.38Å; V214-T427 HydrophobicContact CB-CG2 4Å; V214-T427 HydrophobicContact CG1-CG2 3.8Å; V214-V430 HydrophobicContact CG1-CB 4.24Å; V214-V430 HydrophobicContact CG1-CG1 3.95Å; V214-V430 HydrophobicContact CG2-CB 4.27Å; V214-V430 HydrophobicContact CG2-CG1 3.91Å
215	R	96.3	Very high	91.7	Very high	65 Å²	65	36.1 Å²	36.1	25%	0.245	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	119.1	178.6	-65.7	160.5	-66.7	-177.9	-0.3	109.8	E273 K301 K302 I303 D304 V305	R215-E273 HydrophobicContact CG-CB 4.11Å; R215-E273 VanDerWaalsContact CG-OE2 3.31Å; R215-E273 WeakPolarHBondContact CG-OE2 3.35Å; R215-K301 PolarHBondContact NH1-O 3.02Å; R215-K302 PolarHBondContact NE-O 2.86Å; R215-K302 PolarHBondContact NH1-O 2.71Å; R215-K302 PolarHBondContact NH2-O 2.81Å; R215-I303 HydrophobicContact CB-CD1 4.11Å; R215-D304 WeakPolarHBondContact CB-OD2 3.43Å; R215-D304 IonicContact CZ-OD1 2.82Å; R215-D304 IonicContact CZ-OD2 2.67Å; R215-D304 PolarHBondContact N-OD2 2.04Å; R215-D304 IonicContact NE-OD1 3.79Å; R215-D304 IonicContact NE-OD2 2.81Å; R215-D304 PolarHBondContact NE-OD2 3.21Å; R215-D304 VanDerWaalsContact NE-OD2 3.16Å; R215-D304 IonicContact NH2-OD1 3.73Å; R215-D304 PolarHBondContact NH2-OD1 2.74Å; R215-D304 IonicContact NH2-OD2 3.03Å; R215-D304 PolarHBondContact O-N 3.34Å; R215-V305 PolarHBondContact O-N 3.08Å; R215-V305 VanDerWaalsContact O-N 3.13Å
216	V	96.9	Very high	91.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	122.8	-179.8	-172.1	0	0	0	0	109.7	V214 I259 A272 E273 H275 V305 T427	V214-V216 HydrophobicContact CG1-CG2 4.32Å; V216-I259 HydrophobicContact CG1-CD1 4.39Å; V216-I259 HydrophobicContact CG1-CG2 4.07Å; V216-A272 HydrophobicContact CG2-CB 4.1Å; V216-E273 PolarHBondContact N-O 2.77Å; V216-H275 PolarHBondContact O-N 2.85Å; V216-V305 CarbonylContact C-O 3.51Å; V216-V305 VanDerWaalsContact CA-O 3.29Å; V216-V305 WeakPolarHBondContact CA-O 3.5Å; V216-V305 HydrophobicContact CG1-CB 4.37Å; V216-V305 HydrophobicContact CG2-CB 4.37Å; V216-T427 HydrophobicContact CG2-CG2 3.27Å; V216-T427 WeakPolarHBondContact CG2-OG1 3.36Å
217	A	96.6	Very high	91	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	136.5	172.2	0	0	0	0	0	111.8	F219 H275 I303 V305 L306 N307	A217-F219 HydrophobicContact CB-CD1 4.16Å; A217-F219 HydrophobicContact CB-CE1 3.88Å; A217-H275 CarbonylContact C-O 3.54Å; A217-H275 VanDerWaalsContact CA-O 3.23Å; A217-H275 WeakPolarHBondContact CA-O 3.43Å; A217-H275 HydrophobicContact CB-CB 4.4Å; A217-I303 HydrophobicContact CB-CB 4.47Å; A217-I303 HydrophobicContact CB-CD1 4.27Å; A217-I303 HydrophobicContact CB-CG1 4.11Å; A217-I303 HydrophobicContact CB-CG2 3.63Å; A217-V305 PolarHBondContact N-O 3.49Å; A217-L306 HydrophobicContact CB-CD1 4.35Å; A217-L306 HydrophobicContact CB-CG 4.28Å; A217-N307 PolarHBondContact O-N 3.37Å
218	V	95.2	Very high	90.9	Very high	2 Å²	2	39 Å²	39	1%	0.012	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	113.3	171.5	180	0	0	0	0	108.5	D220 V255 A256 I259 H275 I276 F277	V218-D220 HydrophobicContact CG1-CB 4.12Å; V218-V255 HydrophobicContact CG1-CB 4.37Å; V218-V255 HydrophobicContact CG1-CG1 3.65Å; V218-A256 HydrophobicContact CG2-CB 4.47Å; V218-I259 HydrophobicContact CG2-CD1 3.81Å; V218-H275 PolarHBondContact N-O 3Å; V218-I276 HydrophobicContact CB-CD1 3.96Å; V218-I276 HydrophobicContact CG2-CD1 4.17Å; V218-F277 PolarHBondContact O-N 2.77Å
219	F	92.5	Very high	90.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	100.3	177.8	-80.4	40.3	0	0	0	108	A217 F277 V279 F291 A294 F295 A298 L306 N307 L308 I310	A217-F219 HydrophobicContact CB-CD1 4.16Å; A217-F219 HydrophobicContact CB-CE1 3.88Å; F219-F277 WeakPolarHBondContact CA-O 3.36Å; F219-F277 HydrophobicContact CD1-CB 3.76Å; F219-F277 AromaticContact CD1-CD2 3.92Å; F219-F277 HydrophobicContact CD1-CD2 3.92Å; F219-F277 HydrophobicContact CD1-CG 4.09Å; F219-F277 HydrophobicContact CE1-CB 3.88Å; F219-F277 AromaticContact CE1-CD2 3.11Å; F219-F277 HydrophobicContact CE1-CD2 3.11Å; F219-F277 AromaticContact CE1-CE2 3.72Å; F219-F277 HydrophobicContact CE1-CE2 3.72Å; F219-F277 AromaticContact CE1-CG 3.72Å; F219-F277 HydrophobicContact CE1-CG 3.72Å; F219-F277 HydrophobicContact CE2-CD2 4.32Å; F219-F277 HydrophobicContact CG-CB 4.3Å; F219-F277 AromaticContact CZ-CD2 3.37Å; F219-F277 HydrophobicContact CZ-CD2 3.37Å; F219-F277 AromaticContact CZ-CE2 3.89Å; F219-F277 HydrophobicContact CZ-CE2 3.89Å; F219-F277 HydrophobicContact CZ-CG 4.32Å; F219-V279 HydrophobicContact CB-CG2 4.18Å; F219-V279 HydrophobicContact CD2-CG1 4.16Å; F219-F291 HydrophobicContact CD2-CD1 4.36Å; F219-A294 HydrophobicContact CD2-CB 4.33Å; F219-A294 HydrophobicContact CE2-CB 3.53Å; F219-A294 HydrophobicContact CZ-CB 3.86Å; F219-F295 HydrophobicContact CD2-CD1 4.33Å; F219-F295 AromaticContact CD2-CE1 3.92Å; F219-F295 HydrophobicContact CD2-CE1 3.92Å; F219-F295 AromaticContact CE2-CD1 3.43Å; F219-F295 HydrophobicContact CE2-CD1 3.43Å; F219-F295 VanDerWaalsContact CE2-CD1 3.43Å; F219-F295 AromaticContact CE2-CE1 3.46Å; F219-F295 HydrophobicContact CE2-CE1 3.46Å; F219-F295 VanDerWaalsContact CE2-CE1 3.46Å; F219-F295 HydrophobicContact CE2-CG 4.22Å; F219-F295 HydrophobicContact CE2-CZ 4.3Å; F219-F295 AromaticContact CZ-CD1 3.85Å; F219-F295 HydrophobicContact CZ-CD1 3.85Å; F219-F295 HydrophobicContact CZ-CE1 4.17Å; F219-A298 HydrophobicContact CE1-CB 4.48Å; F219-A298 HydrophobicContact CZ-CB 4.16Å; F219-L306 HydrophobicContact CD1-CD1 3.82Å; F219-L306 HydrophobicContact CD1-CG 4.1Å; F219-L306 HydrophobicContact CD2-CD1 4.5Å; F219-L306 HydrophobicContact CE1-CD1 3.35Å; F219-L306 HydrophobicContact CE1-CG 4.1Å; F219-L306 HydrophobicContact CE2-CD1 4.1Å; F219-L306 HydrophobicContact CG-CD1 4.38Å; F219-L306 HydrophobicContact CZ-CD1 3.51Å; F219-N307 PolarHBondContact N-O 3.26Å; F219-L308 HydrophobicContact CB-CD1 3.57Å; F219-L308 HydrophobicContact CD2-CD1 4.32Å; F219-L308 HydrophobicContact CG-CD1 4.35Å; F219-I310 VanDerWaalsContact O-CD1 3.25Å; F219-I310 WeakPolarHBondContact O-CD1 3.41Å
220	D	88.8	Confident	90.7	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	-151.1	-175.7	-143.3	-56.9	0	0	0	112.4	R136 V218 G222 H251 F277 R278 V279	R136-D220 IonicContact CZ-OD1 3.8Å; R136-D220 IonicContact NH1-OD1 2.62Å; R136-D220 PolarHBondContact NH1-OD1 2.84Å; R136-D220 IonicContact NH1-OD2 2.94Å; R136-D220 IonicContact NH2-OD1 3.72Å; R136-D220 PolarHBondContact NH2-OD1 3.48Å; V218-D220 HydrophobicContact CG1-CB 4.12Å; D220-G222 PolarHBondContact O-N 2.94Å; D220-H251 IonicContact OD1-CG 3.5Å; D220-H251 IonicContact OD1-ND1 3.8Å; D220-H251 PolarHBondContact OD1-ND1 3.28Å; D220-H251 IonicContact OD2-CE1 3.41Å; D220-H251 PolarHBondContact OD2-CE1 2.87Å; D220-H251 IonicContact OD2-ND1 3.01Å; D220-H251 PolarHBondContact OD2-ND1 2.88Å; D220-F277 PolarHBondContact N-O 2.87Å; D220-F277 VanDerWaalsContact N-O 3.13Å; D220-R278 WeakPolarHBondContact O-CA 3.29Å; D220-V279 PolarHBondContact O-N 2.88Å
221	T	86.6	Confident	90.4	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-77	3.2	178.1	57.6	0	0	0	0	113.8	D247 L249 G252 R278 F280	T221-D247 VanDerWaalsContact CB-OD1 3.24Å; T221-D247 WeakPolarHBondContact CB-OD1 3.33Å; T221-D247 VanDerWaalsContact OG1-CG 3.25Å; T221-D247 PolarHBondContact OG1-OD1 3.41Å; T221-D247 PolarHBondContact OG1-OD2 3.21Å; T221-L249 HydrophobicContact CG2-CB 4.07Å; T221-L249 HydrophobicContact CG2-CD1 3.45Å; T221-L249 VanDerWaalsContact CG2-CD1 3.45Å; T221-L249 HydrophobicContact CG2-CG 4.34Å; T221-G252 PolarHBondContact OG1-N 3.34Å; T221-R278 PolarHBondContact O-NH1 3.4Å; T221-F280 HydrophobicContact CG2-CB 4.2Å
222	G	87.8	Confident	90.2	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.01	22%	0.215	C	C	.	.			trans	98.7	-165.8	179.4	0	0	0	0	0	113.6	D220 G252 T253	D220-G222 PolarHBondContact O-N 2.94Å; G222-G252 CarbonylContact O-C 3.59Å; G222-G252 WeakPolarHBondContact O-CA 3.25Å; G222-T253 PolarHBondContact O-N 2.83Å
223	L	89.8	Confident	90.2	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	21%	0.212	C	C	.	.			trans	-151.3	142.3	-178	174.9	63.5	0	0	0	108.4	F230 V233 R236 T253 I276	L223-F230 HydrophobicContact CD1-CD2 3.74Å; L223-F230 HydrophobicContact CD1-CE2 3.3Å; L223-F230 HydrophobicContact CD1-CZ 3.83Å; L223-F230 HydrophobicContact CD2-CD2 4.03Å; L223-F230 HydrophobicContact CD2-CE2 4.27Å; L223-F230 HydrophobicContact CD2-CG 4.15Å; L223-F230 HydrophobicContact CG-CD2 4.4Å; L223-F230 HydrophobicContact CG-CE2 4.37Å; L223-V233 HydrophobicContact CD2-CG2 3.87Å; L223-R236 PolarHBondContact O-NE 3.39Å; L223-R236 PolarHBondContact O-NH2 3.36Å; L223-T253 HydrophobicContact CD1-CG2 3.85Å; L223-I276 HydrophobicContact CB-CB 4.33Å; L223-I276 HydrophobicContact CB-CD1 4.41Å; L223-I276 HydrophobicContact CB-CG1 3.93Å; L223-I276 HydrophobicContact CB-CG2 3.77Å; L223-I276 HydrophobicContact CD2-CD1 4.1Å; L223-I276 HydrophobicContact CD2-CG1 3.8Å
224	S	86.6	Confident	90.3	Very high	33 Å²	33	43.1 Å²	43.1	23%	0.231	21%	0.206	C	C	.	.			trans	-70.9	140.2	175.1	180	0	0	0	0	112.6	K226	S224-K226 PolarHBondContact O-N 3.34Å
225	E	80.4	Confident	90.2	Very high	142 Å²	142	44.8 Å²	44.8	66%	0.664	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-45.2	-177.6	-158.8	172.8	144.2	0	0	114.1	R236 D246	E225-R236 VanDerWaalsContact CA-NH1 3.31Å; E225-R236 VanDerWaalsContact CG-NH1 3.27Å; E225-R236 IonicContact OE2-NH1 3.73Å; E225-D246 PolarHBondContact N-OD1 3.39Å
226	K	83.5	Confident	90	Very high	188 Å²	188	43.7 Å²	43.7	82%	0.817	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.4	27.6	-168.9	-64.9	-178.6	-178.8	177.1	0	112.2	S224	S224-K226 PolarHBondContact O-N 3.34Å
227	H	88.4	Confident	89.7	Confident	9 Å²	9	44.1 Å²	44.1	4%	0.042	21%	0.213	C	C	.	.			trans	-75.6	122.6	-174.1	-171.3	-71.4	0	0	0	111.2	H229 F230 G404 V405	H227-H229 AromaticContact CE1-CD2 3.96Å; H227-H229 AromaticContact CE1-CG 3.41Å; H227-H229 VanDerWaalsContact CE1-CG 3.41Å; H227-H229 AromaticContact CE1-ND1 3.57Å; H227-H229 WeakPolarHBondContact ND1-CB 3.44Å; H227-H229 AromaticContact ND1-CG 3.85Å; H227-H229 PolarHBondContact ND1-N 3.48Å; H227-H229 PolarHBondContact O-N 3.44Å; H227-F230 HydrophobicContact CB-CD2 3.82Å; H227-F230 HydrophobicContact CB-CE2 4.2Å; H227-F230 AromaticContact CE1-CE2 3.85Å; H227-F230 AromaticContact CG-CD2 3.73Å; H227-F230 AromaticContact CG-CE2 3.7Å; H227-F230 AromaticContact ND1-CD2 3.34Å; H227-F230 VanDerWaalsContact ND1-CD2 3.34Å; H227-F230 WeakPolarHBondContact ND1-CD2 3.07Å; H227-F230 AromaticContact ND1-CE2 3.27Å; H227-F230 VanDerWaalsContact ND1-CE2 3.27Å; H227-F230 WeakPolarHBondContact ND1-CE2 3.16Å; H227-F230 PolarHBondContact O-N 3.2Å; H227-G404 PolarHBondContact NE2-O 2.68Å; H227-V405 PolarHBondContact CD2-O 3.05Å
228	P	89.2	Confident	89.4	Confident	75 Å²	75	45.6 Å²	45.6	49%	0.487	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-15.6	-165.9	26.6	-36.1	0	0	0	114.8
229	H	90.6	Very high	89.1	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.009	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-17.8	-179.5	-66.5	-174.8	0	0	0	114	H227 S261 M262 E264 S403 G408	H227-H229 AromaticContact CE1-CD2 3.96Å; H227-H229 AromaticContact CE1-CG 3.41Å; H227-H229 VanDerWaalsContact CE1-CG 3.41Å; H227-H229 AromaticContact CE1-ND1 3.57Å; H227-H229 WeakPolarHBondContact ND1-CB 3.44Å; H227-H229 AromaticContact ND1-CG 3.85Å; H227-H229 PolarHBondContact ND1-N 3.48Å; H227-H229 PolarHBondContact O-N 3.44Å; H229-S261 WeakPolarHBondContact CB-OG 3.47Å; H229-M262 PolarHBondContact O-N 3.08Å; H229-E264 IonicContact NE2-OE2 3.79Å; H229-S403 WeakPolarHBondContact ND1-CB 3.39Å; H229-S403 PolarHBondContact ND1-OG 3.02Å; H229-G408 PolarHBondContact CE1-O 3.07Å; H229-G408 VanDerWaalsContact CE1-O 3.3Å
230	F	91.1	Very high	88.7	Confident	25 Å²	25	46.2 Å²	46.2	11%	0.11	22%	0.224	C	C	.	.			trans	-111.3	135.8	-172.6	-54.8	-78.2	0	0	0	111.2	L223 H227 V233 T253 A256 L274	L223-F230 HydrophobicContact CD1-CD2 3.74Å; L223-F230 HydrophobicContact CD1-CE2 3.3Å; L223-F230 HydrophobicContact CD1-CZ 3.83Å; L223-F230 HydrophobicContact CD2-CD2 4.03Å; L223-F230 HydrophobicContact CD2-CE2 4.27Å; L223-F230 HydrophobicContact CD2-CG 4.15Å; L223-F230 HydrophobicContact CG-CD2 4.4Å; L223-F230 HydrophobicContact CG-CE2 4.37Å; H227-F230 HydrophobicContact CB-CD2 3.82Å; H227-F230 HydrophobicContact CB-CE2 4.2Å; H227-F230 AromaticContact CE1-CE2 3.85Å; H227-F230 AromaticContact CG-CD2 3.73Å; H227-F230 AromaticContact CG-CE2 3.7Å; H227-F230 AromaticContact ND1-CD2 3.34Å; H227-F230 VanDerWaalsContact ND1-CD2 3.34Å; H227-F230 WeakPolarHBondContact ND1-CD2 3.07Å; H227-F230 AromaticContact ND1-CE2 3.27Å; H227-F230 VanDerWaalsContact ND1-CE2 3.27Å; H227-F230 WeakPolarHBondContact ND1-CE2 3.16Å; H227-F230 PolarHBondContact O-N 3.2Å; F230-V233 HydrophobicContact CB-CG2 3.83Å; F230-T253 HydrophobicContact CE2-CG2 4.27Å; F230-A256 VanDerWaalsContact CE1-C 3.49Å; F230-A256 HydrophobicContact CE1-CB 3.9Å; F230-A256 WeakPolarHBondContact CE1-O 3.14Å; F230-A256 HydrophobicContact CZ-CB 3.96Å; F230-L274 HydrophobicContact CD1-CD1 3.58Å; F230-L274 HydrophobicContact CE1-CD1 4.13Å; F230-L274 HydrophobicContact CG-CD1 4.39Å
231	K	85.8	Confident	88.5	Confident	160 Å²	160	52.6 Å²	52.6	70%	0.696	26%	0.258	S	S	*	.	S	Bend	trans	-111.5	-41	179.7	-175.8	-168.7	177.3	-170.2	0	112.7	M262	K231-M262 HydrophobicContact CB-CE 3.67Å; K231-M262 HydrophobicContact CB-SD 3.44Å; K231-M262 WeakPolarHBondContact CB-SD 3.35Å; K231-M262 HydrophobicContact CD-CE 3.5Å; K231-M262 VanDerWaalsContact CD-CE 3.5Å; K231-M262 HydrophobicContact CD-SD 3.59Å; K231-M262 VanDerWaalsContact CD-SD 3.59Å; K231-M262 HydrophobicContact CG-CE 4.23Å; K231-M262 HydrophobicContact CG-SD 4.15Å
232	N	89.6	Confident	88.4	Confident	38 Å²	38	55 Å²	55	20%	0.203	27%	0.269	C	S	.	.			trans	-114.1	55.5	-168.2	-164.9	22.3	0	0	0	112.1	K234 D271 A272 L274	N232-K234 PolarHBondContact O-N 3.07Å; N232-K234 WeakPolarHBondContact OD1-CE 3.48Å; N232-K234 PolarHBondContact OD1-NZ 2.88Å; N232-K234 VanDerWaalsContact OD1-NZ 3.08Å; N232-D271 PolarHBondContact ND2-O 3.31Å; N232-A272 WeakPolarHBondContact CB-O 3.43Å; N232-A272 PolarHBondContact ND2-O 2.87Å; N232-L274 PolarHBondContact O-N 3.28Å
233	V	92.9	Very high	88.2	Confident	49 Å²	49	67.3 Å²	67.3	30%	0.297	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	104	170.9	-174.9	0	0	0	0	107.8	L223 F230 R236 L274 I276	L223-V233 HydrophobicContact CD2-CG2 3.87Å; F230-V233 HydrophobicContact CB-CG2 3.83Å; V233-R236 HydrophobicContact CG1-CG 3.72Å; V233-L274 HydrophobicContact CG2-CB 4.44Å; V233-L274 HydrophobicContact CG2-CD1 4.23Å; V233-I276 HydrophobicContact CG1-CG1 4.39Å
234	K	93.3	Very high	87.8	Confident	114 Å²	114	69.3 Å²	69.3	50%	0.496	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	-39.3	-179.7	-68	-55.4	-167.7	-168.5	0	111.7	N232 E273 L274	N232-K234 PolarHBondContact O-N 3.07Å; N232-K234 WeakPolarHBondContact OD1-CE 3.48Å; N232-K234 PolarHBondContact OD1-NZ 2.88Å; N232-K234 VanDerWaalsContact OD1-NZ 3.08Å; K234-E273 VanDerWaalsContact CE-CD 3.42Å; K234-E273 WeakPolarHBondContact CE-OE1 3.36Å; K234-E273 HydrophobicContact CG-CB 3.75Å; K234-E273 HydrophobicContact CG-CG 4.1Å; K234-E273 IonicContact NZ-OE1 3.67Å; K234-L274 PolarHBondContact N-O 3.06Å
235	E	91.5	Very high	87.6	Confident	36 Å²	36	71 Å²	71	17%	0.168	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	139.2	-170.7	-164.2	175.3	-165.7	0	0	111.1	T237 L274 H275 I276 Y297	E235-T237 HydrophobicContact CG-CG2 3.78Å; E235-T237 WeakPolarHBondContact OE1-CG2 3.48Å; E235-L274 PolarHBondContact N-O 3.02Å; E235-H275 IonicContact OE2-CE1 3.04Å; E235-H275 IonicContact OE2-ND1 3.53Å; E235-H275 PolarHBondContact OE2-ND1 3.4Å; E235-H275 VanDerWaalsContact OE2-ND1 3.14Å; E235-I276 PolarHBondContact O-N 3.02Å; E235-Y297 VanDerWaalsContact OE1-CE1 3.26Å; E235-Y297 WeakPolarHBondContact OE1-CE1 3.33Å; E235-Y297 VanDerWaalsContact OE1-CZ 3.31Å; E235-Y297 PolarHBondContact OE1-OH 3.37Å
236	R	92.7	Very high	87.8	Confident	42 Å²	42	67.6 Å²	67.6	16%	0.158	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	116.2	167.5	-68.4	169.2	63	-143	6.4	106.6	L223 E225 V233 L245 D246 I276	L223-R236 PolarHBondContact O-NE 3.39Å; L223-R236 PolarHBondContact O-NH2 3.36Å; E225-R236 VanDerWaalsContact CA-NH1 3.31Å; E225-R236 VanDerWaalsContact CG-NH1 3.27Å; E225-R236 IonicContact OE2-NH1 3.73Å; V233-R236 HydrophobicContact CG1-CG 3.72Å; R236-L245 HydrophobicContact CB-CD1 4.49Å; R236-L245 HydrophobicContact CB-CD2 4.35Å; R236-L245 PolarHBondContact NH2-O 2.55Å; R236-D246 IonicContact CZ-OD1 2.8Å; R236-D246 IonicContact NH2-OD1 2.73Å; R236-D246 PolarHBondContact NH2-OD1 2.87Å; R236-I276 WeakPolarHBondContact CA-O 3.41Å; R236-I276 HydrophobicContact CG-CB 4.16Å; R236-I276 HydrophobicContact CG-CG1 4.47Å
237	T	91.3	Very high	87.7	Confident	9 Å²	9	59 Å²	59	6%	0.055	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	154.3	175.6	61.9	0	0	0	0	110.8	P95 E235 W239 L245 I276 F277 R278 Y297	P95-T237 HydrophobicContact CG-CG2 4.08Å; E235-T237 HydrophobicContact CG-CG2 3.78Å; E235-T237 WeakPolarHBondContact OE1-CG2 3.48Å; T237-W239 PolarHBondContact OG1-NE1 2.7Å; T237-L245 VanDerWaalsContact C-CD2 3.48Å; T237-I276 PolarHBondContact N-O 3.5Å; T237-F277 WeakPolarHBondContact OG1-CD1 3.42Å; T237-R278 PolarHBondContact O-N 2.78Å; T237-Y297 HydrophobicContact CG2-CE1 4.24Å
238	N	89.8	Confident	87.2	Confident	30 Å²	30	61.2 Å²	61.2	16%	0.16	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	123.8	174.2	-176.7	20.5	0	0	0	109.4	T240 E242 T244 L245	N238-T240 PolarHBondContact ND2-O 2.82Å; N238-T240 PolarHBondContact ND2-OG1 2.88Å; N238-T240 WeakPolarHBondContact OD1-CB 3.36Å; N238-T240 PolarHBondContact OD1-N 2.87Å; N238-T240 PolarHBondContact OD1-OG1 3.48Å; N238-E242 PolarHBondContact ND2-O 3.39Å; N238-T244 PolarHBondContact ND2-O 3.42Å; N238-L245 HydrophobicContact CB-CD2 3.66Å
239	W	88.3	Confident	86.8	Confident	4 Å²	4	59.8 Å²	59.8	2%	0.015	30%	0.296	C	S	.	.			trans	-102.1	-2.1	178.3	-57.5	95	0	0	0	111.9	N94 P95 T237 F277 R278 V279 W290 D293 A294 Y297	N94-W239 HydrophobicContact CB-CE3 3.86Å; N94-W239 HydrophobicContact CB-CZ3 3.98Å; N94-W239 WeakPolarHBondContact OD1-CZ3 3.43Å; P95-W239 HydrophobicContact CB-CH2 4.09Å; P95-W239 HydrophobicContact CG-CH2 4.38Å; T237-W239 PolarHBondContact OG1-NE1 2.7Å; W239-F277 HydrophobicContact CZ2-CD2 4.36Å; W239-F277 HydrophobicContact CZ2-CE2 4.34Å; W239-F277 AromaticContact NE1-CD2 3.52Å; W239-F277 AromaticContact NE1-CG 3.53Å; W239-R278 PolarHBondContact N-O 3.08Å; W239-V279 HydrophobicContact CB-CG1 4.28Å; W239-V279 HydrophobicContact CG-CG1 4.27Å; W239-W290 HydrophobicContact CB-CB 4.28Å; W239-W290 VanDerWaalsContact O-CD2 3.23Å; W239-W290 PolarHBondContact O-NE1 2.71Å; W239-D293 HydrophobicContact CE3-CB 3.82Å; W239-D293 HydrophobicContact CZ3-CB 3.76Å; W239-A294 HydrophobicContact CD2-CB 3.79Å; W239-A294 HydrophobicContact CE3-CB 4.38Å; W239-A294 HydrophobicContact CG-CB 3.91Å; W239-A294 HydrophobicContact CZ2-CB 4.4Å; W239-Y297 AromaticContact CH2-CD1 3.92Å; W239-Y297 HydrophobicContact CH2-CD1 3.92Å; W239-Y297 HydrophobicContact CH2-CD2 4.07Å; W239-Y297 AromaticContact CH2-CG 3.52Å; W239-Y297 HydrophobicContact CH2-CG 3.52Å; W239-Y297 AromaticContact CZ2-CD1 3.57Å; W239-Y297 HydrophobicContact CZ2-CD1 3.57Å; W239-Y297 HydrophobicContact CZ2-CE1 4.32Å; W239-Y297 AromaticContact CZ2-CG 3.67Å; W239-Y297 HydrophobicContact CZ2-CG 3.67Å
240	T	85.1	Confident	86.5	Confident	12 Å²	12	60 Å²	60	7%	0.074	30%	0.299	C	S	.	.	S	Bend	trans	-94	167.1	179.3	77.9	0	0	0	0	111.8	N238 E242 R278 T281 W290	N238-T240 PolarHBondContact ND2-O 2.82Å; N238-T240 PolarHBondContact ND2-OG1 2.88Å; N238-T240 WeakPolarHBondContact OD1-CB 3.36Å; N238-T240 PolarHBondContact OD1-N 2.87Å; N238-T240 PolarHBondContact OD1-OG1 3.48Å; T240-E242 VanDerWaalsContact C-N 3.28Å; T240-E242 PolarHBondContact O-N 2.79Å; T240-E242 PolarHBondContact OG1-N 3.44Å; T240-R278 HydrophobicContact CG2-CG 4.38Å; T240-T281 HydrophobicContact CG2-CG2 4.06Å; T240-W290 HydrophobicContact CG2-CE3 3.86Å; T240-W290 HydrophobicContact CG2-CH2 4.36Å; T240-W290 HydrophobicContact CG2-CZ3 3.63Å
241	N	84.8	Confident	86.4	Confident	134 Å²	134	58.9 Å²	58.9	72%	0.717	29%	0.294	S	S	*	.	S	Bend	trans	-78.3	-6	176.6	-67	-14.7	0	0	0	114.4	W290	N241-W290 HydrophobicContact CB-CZ2 4.29Å
242	E	84.4	Confident	86.5	Confident	51 Å²	51	51.3 Å²	51.3	24%	0.238	26%	0.262	C	S	.	.	S	Bend	trans	-75.3	152	176.6	-69.1	-179	163.2	0	0	110.6	N238 T240 T244 R278 T281 N282	N238-E242 PolarHBondContact ND2-O 3.39Å; T240-E242 VanDerWaalsContact C-N 3.28Å; T240-E242 PolarHBondContact O-N 2.79Å; T240-E242 PolarHBondContact OG1-N 3.44Å; E242-T244 VanDerWaalsContact C-N 3.34Å; E242-T244 HydrophobicContact CB-CG2 4.32Å; E242-T244 PolarHBondContact O-N 2.87Å; E242-R278 IonicContact OE2-CZ 2.72Å; E242-R278 IonicContact OE2-NH2 2.87Å; E242-R278 PolarHBondContact OE2-NH2 2.86Å; E242-T281 HydrophobicContact CG-CG2 4.06Å; E242-T281 WeakPolarHBondContact OE1-CB 3.3Å; E242-T281 WeakPolarHBondContact OE2-CA 3.45Å; E242-N282 PolarHBondContact OE1-N 2.92Å; E242-N282 PolarHBondContact OE2-N 2.81Å; E242-N282 VanDerWaalsContact OE2-N 3.09Å
243	R	82.9	Confident	86.6	Confident	260 Å²	260	49.5 Å²	49.5	98%	0.981	25%	0.252	S	S	*	.	S	Bend	trans	-97.4	51.2	-179.7	-63.1	-175.9	-176.9	-177.4	0.7	112
244	T	82.5	Confident	86.6	Confident	43 Å²	43	47.3 Å²	47.3	26%	0.264	24%	0.239	S	C	.	.			trans	-144.6	145	179.2	-175.9	0	0	0	0	112.2	N238 E242 D246 R278	N238-T244 PolarHBondContact ND2-O 3.42Å; E242-T244 VanDerWaalsContact C-N 3.34Å; E242-T244 HydrophobicContact CB-CG2 4.32Å; E242-T244 PolarHBondContact O-N 2.87Å; T244-D246 PolarHBondContact OG1-N 2.9Å; T244-D246 VanDerWaalsContact OG1-N 3.13Å; T244-R278 WeakPolarHBondContact O-CD 3.31Å
245	L	81.8	Confident	86.6	Confident	67 Å²	67	41.9 Å²	41.9	35%	0.351	22%	0.215	S	C	.	.			trans	-103.5	-9.4	172.2	-67.1	167	0	0	0	112	R236 T237 N238	R236-L245 HydrophobicContact CB-CD1 4.49Å; R236-L245 HydrophobicContact CB-CD2 4.35Å; R236-L245 PolarHBondContact NH2-O 2.55Å; T237-L245 VanDerWaalsContact C-CD2 3.48Å; N238-L245 HydrophobicContact CB-CD2 3.66Å
246	D	83.9	Confident	86.7	Confident	72 Å²	72	40.2 Å²	40.2	39%	0.385	21%	0.207	S	C	.	.	S	Bend	trans	-79.9	149.4	-175.9	-72.9	-31.8	0	0	0	111.7	E225 R236 T244 G248 R278	E225-D246 PolarHBondContact N-OD1 3.39Å; R236-D246 IonicContact CZ-OD1 2.8Å; R236-D246 IonicContact NH2-OD1 2.73Å; R236-D246 PolarHBondContact NH2-OD1 2.87Å; T244-D246 PolarHBondContact OG1-N 2.9Å; T244-D246 VanDerWaalsContact OG1-N 3.13Å; D246-G248 PolarHBondContact O-N 2.79Å; D246-R278 PolarHBondContact O-NH1 2.86Å
247	D	81.9	Confident	86.8	Confident	7 Å²	7	38.2 Å²	38.2	4%	0.037	20%	0.2	C	C	.	.			trans	-81.7	101	177.8	-172.1	3.3	0	0	0	110.9	T221 L249 G250 G252 T253	T221-D247 VanDerWaalsContact CB-OD1 3.24Å; T221-D247 WeakPolarHBondContact CB-OD1 3.33Å; T221-D247 VanDerWaalsContact OG1-CG 3.25Å; T221-D247 PolarHBondContact OG1-OD1 3.41Å; T221-D247 PolarHBondContact OG1-OD2 3.21Å; D247-L249 VanDerWaalsContact C-N 3.28Å; D247-L249 PolarHBondContact O-N 2.82Å; D247-L249 PolarHBondContact OD1-N 3.24Å; D247-L249 VanDerWaalsContact OD1-N 3.08Å; D247-G250 PolarHBondContact OD1-N 3Å; D247-G250 WeakPolarHBondContact OD2-CA 3.32Å; D247-G250 PolarHBondContact OD2-N 3.34Å; D247-G252 PolarHBondContact OD2-N 3.36Å; D247-T253 WeakPolarHBondContact CB-OG1 3.36Å; D247-T253 WeakPolarHBondContact OD2-CB 3.34Å; D247-T253 PolarHBondContact OD2-N 2.66Å; D247-T253 PolarHBondContact OD2-OG1 3.06Å
248	G	78	Confident	86.9	Confident	55 Å²	55	38.2 Å²	38.2	57%	0.567	20%	0.2	S	C	*	.	S	Bend	trans	-74.8	-14	176.2	0	0	0	0	0	114.6	D246 N282	D246-G248 PolarHBondContact O-N 2.79Å; G248-N282 WeakPolarHBondContact CA-OD1 3.37Å
249	L	80.1	Confident	87.2	Confident	45 Å²	45	36.8 Å²	36.8	24%	0.236	19%	0.192	C	C	.	.	S	Bend	trans	-113.1	-33.7	-170.5	-69.5	165.8	0	0	0	113.2	T221 D247 Q284	T221-L249 HydrophobicContact CG2-CB 4.07Å; T221-L249 HydrophobicContact CG2-CD1 3.45Å; T221-L249 VanDerWaalsContact CG2-CD1 3.45Å; T221-L249 HydrophobicContact CG2-CG 4.34Å; D247-L249 VanDerWaalsContact C-N 3.28Å; D247-L249 PolarHBondContact O-N 2.82Å; D247-L249 PolarHBondContact OD1-N 3.24Å; D247-L249 VanDerWaalsContact OD1-N 3.08Å; L249-Q284 HydrophobicContact CD1-CG 3.45Å; L249-Q284 VanDerWaalsContact CD1-CG 3.45Å; L249-Q284 HydrophobicContact CD2-CG 4.29Å
250	G	85.5	Confident	87.5	Confident	7 Å²	7	36.7 Å²	36.7	7%	0.072	19%	0.192	C	C	.	.	S	Bend	trans	94.3	-5.4	176.6	0	0	0	0	0	116.6	D247 F254	D247-G250 PolarHBondContact OD1-N 3Å; D247-G250 WeakPolarHBondContact OD2-CA 3.32Å; D247-G250 PolarHBondContact OD2-N 3.34Å; G250-F254 WeakPolarHBondContact O-CB 3.48Å; G250-F254 PolarHBondContact O-N 3.07Å; G250-F254 VanDerWaalsContact O-N 3.13Å
251	H	87.7	Confident	87.9	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-68.9	-49.2	178.8	-172.9	-93.1	0	0	0	111.1	L138 D220 T253 F254 V255	L138-H251 HydrophobicContact CD1-CB 3.68Å; D220-H251 IonicContact OD1-CG 3.5Å; D220-H251 IonicContact OD1-ND1 3.8Å; D220-H251 PolarHBondContact OD1-ND1 3.28Å; D220-H251 IonicContact OD2-CE1 3.41Å; D220-H251 PolarHBondContact OD2-CE1 2.87Å; D220-H251 IonicContact OD2-ND1 3.01Å; D220-H251 PolarHBondContact OD2-ND1 2.88Å; H251-T253 VanDerWaalsContact C-N 3.33Å; H251-T253 PolarHBondContact O-N 2.86Å; H251-F254 WeakPolarHBondContact O-CB 3.49Å; H251-F254 PolarHBondContact O-N 3.31Å; H251-F254 VanDerWaalsContact O-N 3.14Å; H251-V255 VanDerWaalsContact O-CG2 3.3Å; H251-V255 WeakPolarHBondContact O-CG2 3.48Å; H251-V255 PolarHBondContact O-N 3.25Å
252	G	88.6	Confident	88	Confident	2 Å²	2	32.3 Å²	32.3	2%	0.021	17%	0.167	C	C	.	.	H	α-helix	trans	-59.4	-40.8	177.1	0	0	0	0	0	113.4	T221 G222 D247 F254 V255 A256	T221-G252 PolarHBondContact OG1-N 3.34Å; G222-G252 CarbonylContact O-C 3.59Å; G222-G252 WeakPolarHBondContact O-CA 3.25Å; D247-G252 PolarHBondContact OD2-N 3.36Å; G252-F254 VanDerWaalsContact C-N 3.34Å; G252-F254 PolarHBondContact O-N 3.36Å; G252-V255 PolarHBondContact O-N 2.85Å; G252-A256 WeakPolarHBondContact O-CB 3.5Å; G252-A256 PolarHBondContact O-N 2.97Å
253	T	92.3	Very high	87.7	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62.6	-41.2	175.2	-56.5	0	0	0	0	112	G222 L223 F230 D247 H251 G257	G222-T253 PolarHBondContact O-N 2.83Å; L223-T253 HydrophobicContact CD1-CG2 3.85Å; F230-T253 HydrophobicContact CE2-CG2 4.27Å; D247-T253 WeakPolarHBondContact CB-OG1 3.36Å; D247-T253 WeakPolarHBondContact OD2-CB 3.34Å; D247-T253 PolarHBondContact OD2-N 2.66Å; D247-T253 PolarHBondContact OD2-OG1 3.06Å; H251-T253 VanDerWaalsContact C-N 3.33Å; H251-T253 PolarHBondContact O-N 2.86Å; T253-G257 PolarHBondContact O-N 2.92Å
254	F	92.5	Very high	87.6	Confident	3 Å²	3	32.2 Å²	32.2	1%	0.013	17%	0.171	C	C	.	.	H	α-helix	trans	-64.5	-48.4	176.5	178	-83.2	0	0	0	111.4	G250 H251 G252 G257 V258 V400 G402 S403 R410 L412 V417	G250-F254 WeakPolarHBondContact O-CB 3.48Å; G250-F254 PolarHBondContact O-N 3.07Å; G250-F254 VanDerWaalsContact O-N 3.13Å; H251-F254 WeakPolarHBondContact O-CB 3.49Å; H251-F254 PolarHBondContact O-N 3.31Å; H251-F254 VanDerWaalsContact O-N 3.14Å; G252-F254 VanDerWaalsContact C-N 3.34Å; G252-F254 PolarHBondContact O-N 3.36Å; F254-G257 WeakPolarHBondContact O-CA 3.45Å; F254-G257 PolarHBondContact O-N 3.47Å; F254-G257 VanDerWaalsContact O-N 3.12Å; F254-V258 HydrophobicContact CD1-CG2 4.34Å; F254-V258 HydrophobicContact CE1-CG2 3.88Å; F254-V258 HydrophobicContact CZ-CG2 4.19Å; F254-V258 PolarHBondContact O-N 3.41Å; F254-V400 HydrophobicContact CZ-CG1 4.48Å; F254-V400 WeakPolarHBondContact CZ-O 3.4Å; F254-G402 VanDerWaalsContact CE2-CA 3.47Å; F254-G402 VanDerWaalsContact CE2-N 3.32Å; F254-S403 VanDerWaalsContact CA-O 3.31Å; F254-S403 WeakPolarHBondContact CA-O 3.07Å; F254-R410 WeakPolarHBondContact CE2-O 3.33Å; F254-L412 HydrophobicContact CB-CD1 4.26Å; F254-L412 HydrophobicContact CD1-CD1 3.9Å; F254-L412 HydrophobicContact CD2-CD1 3.66Å; F254-L412 HydrophobicContact CD2-CG 4.01Å; F254-L412 HydrophobicContact CE1-CB 4.24Å; F254-L412 HydrophobicContact CE1-CD1 4.14Å; F254-L412 HydrophobicContact CE2-CB 3.9Å; F254-L412 HydrophobicContact CE2-CD1 3.88Å; F254-L412 HydrophobicContact CE2-CG 3.79Å; F254-L412 HydrophobicContact CG-CD1 3.67Å; F254-L412 HydrophobicContact CG-CG 4.48Å; F254-L412 HydrophobicContact CZ-CB 3.75Å; F254-L412 HydrophobicContact CZ-CD1 4.14Å; F254-L412 HydrophobicContact CZ-CG 4.12Å; F254-V417 HydrophobicContact CE1-CB 4.13Å; F254-V417 HydrophobicContact CE1-CG1 3.6Å; F254-V417 HydrophobicContact CE1-CG2 3.74Å; F254-V417 HydrophobicContact CZ-CG1 3.78Å; F254-V417 HydrophobicContact CZ-CG2 4.25Å
255	V	93.1	Very high	87.8	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59	-52.5	178.9	169.2	0	0	0	0	110.8	V218 H251 G252 G257 V258 I259 N307 P420	V218-V255 HydrophobicContact CG1-CB 4.37Å; V218-V255 HydrophobicContact CG1-CG1 3.65Å; H251-V255 VanDerWaalsContact O-CG2 3.3Å; H251-V255 WeakPolarHBondContact O-CG2 3.48Å; H251-V255 PolarHBondContact O-N 3.25Å; G252-V255 PolarHBondContact O-N 2.85Å; V255-G257 PolarHBondContact O-N 2.88Å; V255-V258 PolarHBondContact O-N 3.11Å; V255-I259 HydrophobicContact CG1-CD1 4.45Å; V255-I259 PolarHBondContact O-N 2.98Å; V255-N307 VanDerWaalsContact CG1-ND2 3.25Å; V255-N307 WeakPolarHBondContact CG1-ND2 3.43Å; V255-P420 HydrophobicContact CG1-CB 3.91Å; V255-P420 HydrophobicContact CG1-CG 4.24Å; V255-P420 HydrophobicContact CG2-CG 4.36Å
256	A	94.1	Very high	88.1	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-58.7	-37.1	175.4	0	0	0	0	0	111.5	V218 F230 G252 I259 A260 I276	V218-A256 HydrophobicContact CG2-CB 4.47Å; F230-A256 VanDerWaalsContact CE1-C 3.49Å; F230-A256 HydrophobicContact CE1-CB 3.9Å; F230-A256 WeakPolarHBondContact CE1-O 3.14Å; F230-A256 HydrophobicContact CZ-CB 3.96Å; G252-A256 WeakPolarHBondContact O-CB 3.5Å; G252-A256 PolarHBondContact O-N 2.97Å; A256-I259 PolarHBondContact O-N 3.45Å; A256-A260 PolarHBondContact O-N 3.01Å; A256-I276 HydrophobicContact CB-CD1 4.14Å
257	G	93.6	Very high	88.5	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61	-46	178.4	0	0	0	0	0	113.4	T253 F254 V255 I259 S261 S403	T253-G257 PolarHBondContact O-N 2.92Å; F254-G257 WeakPolarHBondContact O-CA 3.45Å; F254-G257 PolarHBondContact O-N 3.47Å; F254-G257 VanDerWaalsContact O-N 3.12Å; V255-G257 PolarHBondContact O-N 2.88Å; G257-I259 PolarHBondContact O-N 3.43Å; G257-S261 WeakPolarHBondContact O-CB 3.35Å; G257-S261 PolarHBondContact O-N 2.92Å; G257-S403 WeakPolarHBondContact CA-OG 3.23Å
258	V	94.6	Very high	89.2	Confident	9 Å²	9	26.5 Å²	26.5	6%	0.055	14%	0.137	C	C	.	.	H	α-helix	trans	-61.8	-33.9	176.4	173.3	0	0	0	0	111.3	F254 V255 G267 F268 V400 P420 V421	F254-V258 HydrophobicContact CD1-CG2 4.34Å; F254-V258 HydrophobicContact CE1-CG2 3.88Å; F254-V258 HydrophobicContact CZ-CG2 4.19Å; F254-V258 PolarHBondContact O-N 3.41Å; V255-V258 PolarHBondContact O-N 3.11Å; V258-G267 WeakPolarHBondContact O-CA 3.2Å; V258-F268 PolarHBondContact O-N 2.86Å; V258-V400 HydrophobicContact CG2-CG1 4.35Å; V258-P420 HydrophobicContact CB-CB 4.14Å; V258-P420 HydrophobicContact CB-CG 4.36Å; V258-P420 HydrophobicContact CG1-CB 4.12Å; V258-P420 HydrophobicContact CG1-CG 4.33Å; V258-V421 HydrophobicContact CG1-CB 4.37Å; V258-V421 HydrophobicContact CG1-CG2 3.63Å
259	I	95.8	Very high	90	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-74.4	-55.4	179.7	-63.9	170.2	0	0	0	111.4	V216 V218 V255 A256 G257 F268 A269 L274 N307 P420 A423	V216-I259 HydrophobicContact CG1-CD1 4.39Å; V216-I259 HydrophobicContact CG1-CG2 4.07Å; V218-I259 HydrophobicContact CG2-CD1 3.81Å; V255-I259 HydrophobicContact CG1-CD1 4.45Å; V255-I259 PolarHBondContact O-N 2.98Å; A256-I259 PolarHBondContact O-N 3.45Å; G257-I259 PolarHBondContact O-N 3.43Å; I259-F268 PolarHBondContact O-N 2.85Å; I259-A269 PolarHBondContact O-N 3.39Å; I259-L274 HydrophobicContact CG2-CD2 4.49Å; I259-N307 HydrophobicContact CD1-CB 4.03Å; I259-P420 HydrophobicContact CD1-CB 4.1Å; I259-P420 HydrophobicContact CG1-CB 3.87Å; I259-P420 WeakPolarHBondContact CG1-O 3.42Å; I259-A423 HydrophobicContact CD1-CB 4.16Å; I259-A423 HydrophobicContact CG1-CB 4.41Å
260	A	94.8	Very high	90.7	Very high	3 Å²	3	22.3 Å²	22.3	3%	0.025	10%	0.103	C	C	.	.	H	α-helix	trans	-139.3	19.3	-162.5	0	0	0	0	0	115.7	A256 A269 L274	A256-A260 PolarHBondContact O-N 3.01Å; A260-A269 WeakPolarHBondContact CA-O 3.16Å; A260-A269 WeakPolarHBondContact CB-O 3.2Å; A260-L274 HydrophobicContact CB-CD1 3.93Å; A260-L274 HydrophobicContact CB-CD2 3.84Å; A260-L274 HydrophobicContact CB-CG 3.98Å
261	S	93.2	Very high	91.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.112	C	C	.	.			trans	-64.8	140.1	173.2	169.8	0	0	0	0	112.2	H229 G257 R263 C265 Q266 G267	H229-S261 WeakPolarHBondContact CB-OG 3.47Å; G257-S261 WeakPolarHBondContact O-CB 3.35Å; G257-S261 PolarHBondContact O-N 2.92Å; S261-R263 PolarHBondContact OG-O 2.78Å; S261-C265 WeakPolarHBondContact CB-O 3.36Å; S261-C265 PolarHBondContact OG-O 3.45Å; S261-Q266 WeakPolarHBondContact O-CA 3.43Å; S261-G267 PolarHBondContact O-N 2.85Å
262	M	87.1	Confident	91.6	Very high	53 Å²	53	24.4 Å²	24.4	26%	0.261	11%	0.112	S	C	.	.			trans	-100.2	-22.4	178.4	-64.3	-164.7	162.4	0	0	114.5	H229 K231 P270 D271	H229-M262 PolarHBondContact O-N 3.08Å; K231-M262 HydrophobicContact CB-CE 3.67Å; K231-M262 HydrophobicContact CB-SD 3.44Å; K231-M262 WeakPolarHBondContact CB-SD 3.35Å; K231-M262 HydrophobicContact CD-CE 3.5Å; K231-M262 VanDerWaalsContact CD-CE 3.5Å; K231-M262 HydrophobicContact CD-SD 3.59Å; K231-M262 VanDerWaalsContact CD-SD 3.59Å; K231-M262 HydrophobicContact CG-CE 4.23Å; K231-M262 HydrophobicContact CG-SD 4.15Å; M262-P270 HydrophobicContact CE-CB 4.12Å; M262-P270 WeakPolarHBondContact CE-O 3.47Å; M262-P270 HydrophobicContact CG-CB 3.72Å; M262-D271 WeakPolarHBondContact CE-OD1 3.27Å
263	R	78.8	Confident	91.9	Very high	165 Å²	165	26.2 Å²	26.2	62%	0.623	12%	0.121	S	C	*	.	S	Bend	trans	-127	146.4	-168.7	-66.4	-173.5	175.6	-173.7	0	111.3	S261 C265	S261-R263 PolarHBondContact OG-O 2.78Å; R263-C265 PolarHBondContact O-N 2.99Å
264	E	80.4	Confident	92.1	Very high	144 Å²	144	26.4 Å²	26.4	67%	0.673	12%	0.121	S	C	*	.	S	Bend	trans	58.3	-57.9	176.8	-58.7	-177.7	-173.2	0	0	115.8	H229 G408	H229-E264 IonicContact NE2-OE2 3.79Å; E264-G408 VanDerWaalsContact OE2-CA 3.29Å; E264-G408 WeakPolarHBondContact OE2-CA 3.21Å
265	C	86.3	Confident	92.3	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.014	12%	0.124	C	C	.	.	S	Bend	trans	-113.5	79.3	171.7	-3.1	0	0	0	0	107.9	S261 R263 G267 C409	S261-C265 WeakPolarHBondContact CB-O 3.36Å; S261-C265 PolarHBondContact OG-O 3.45Å; R263-C265 PolarHBondContact O-N 2.99Å; C265-G267 PolarHBondContact O-N 2.82Å; C265-C409 HydrophobicContact CB-CB 4.07Å; C265-C409 WeakPolarHBondContact CB-SG 3.49Å; C265-C409 PolarHBondContact N-SG 3.39Å; C265-C409 VanDerWaalsContact N-SG 3.42Å; C265-C409 WeakPolarHBondContact SG-CA 3.46Å; C265-C409 WeakPolarHBondContact SG-CB 3.35Å; C265-C409 CovalentContact SG-SG 2.02Å; C265-C409 PolarHBondContact SG-SG 2.86Å
266	Q	88.7	Confident	92.4	Very high	64 Å²	64	27.1 Å²	27.1	30%	0.299	13%	0.125	S	C	.	.			trans	-60	123.2	178.7	-162.6	165.9	20.2	0	0	112.6	Q194 W205 S261	Q194-Q266 WeakPolarHBondContact CG-O 3.3Å; Q194-Q266 PolarHBondContact NE2-O 2.86Å; W205-Q266 HydrophobicContact CH2-CB 4.44Å; W205-Q266 HydrophobicContact CH2-CG 3.71Å; W205-Q266 HydrophobicContact CZ2-CG 4.32Å; W205-Q266 VanDerWaalsContact CZ3-CD 3.47Å; W205-Q266 HydrophobicContact CZ3-CG 4.12Å; S261-Q266 WeakPolarHBondContact O-CA 3.43Å
267	G	92.6	Very high	92.3	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.01	13%	0.125	C	C	.	.			trans	-79	177.7	172.2	0	0	0	0	0	112	W205 V258 S261 C265	W205-G267 WeakPolarHBondContact CZ2-O 3.29Å; V258-G267 WeakPolarHBondContact O-CA 3.2Å; S261-G267 PolarHBondContact O-N 2.85Å; C265-G267 PolarHBondContact O-N 2.82Å
268	F	95.6	Very high	92.2	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.009	13%	0.125	C	C	.	.	S	Bend	trans	-72.8	-38.7	-177.5	-77.3	-95.4	0	0	0	114.2	V195 A196 L199 A201 W205 V258 I259 P270 V421 G424 A425	V195-F268 HydrophobicContact CG1-CE2 4.17Å; V195-F268 HydrophobicContact CG1-CZ 4Å; A196-F268 HydrophobicContact CB-CD1 4.33Å; A196-F268 HydrophobicContact CB-CD2 4.27Å; A196-F268 HydrophobicContact CB-CE1 4.25Å; A196-F268 HydrophobicContact CB-CE2 4.17Å; A196-F268 HydrophobicContact CB-CG 4.33Å; A196-F268 HydrophobicContact CB-CZ 4.15Å; L199-F268 HydrophobicContact CB-CE1 4.04Å; L199-F268 HydrophobicContact CB-CZ 4.26Å; L199-F268 HydrophobicContact CD1-CE1 4.16Å; L199-F268 HydrophobicContact CD1-CZ 3.79Å; A201-F268 HydrophobicContact CB-CD1 3.89Å; A201-F268 HydrophobicContact CB-CE1 4.22Å; W205-F268 PolarHBondContact NE1-O 3.05Å; V258-F268 PolarHBondContact O-N 2.86Å; I259-F268 PolarHBondContact O-N 2.85Å; F268-P270 WeakPolarHBondContact O-CD 3.47Å; F268-V421 HydrophobicContact CE2-CB 4.27Å; F268-V421 HydrophobicContact CE2-CG1 3.77Å; F268-V421 HydrophobicContact CE2-CG2 4.44Å; F268-V421 HydrophobicContact CZ-CG1 3.73Å; F268-G424 WeakPolarHBondContact CB-O 3.29Å; F268-A425 HydrophobicContact CD1-CB 4.21Å; F268-A425 HydrophobicContact CE1-CB 4.38Å
269	A	95.8	Very high	91.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	12%	0.122	C	C	.	.			trans	-128	69.9	-170.4	0	0	0	0	0	110.6	T210 I259 A260 D271 A272 T427 L428	T210-A269 CarbonylContact O-C 3.41Å; T210-A269 VanDerWaalsContact O-CA 3.3Å; T210-A269 WeakPolarHBondContact O-CA 3.33Å; I259-A269 PolarHBondContact O-N 3.39Å; A260-A269 WeakPolarHBondContact CA-O 3.16Å; A260-A269 WeakPolarHBondContact CB-O 3.2Å; A269-D271 VanDerWaalsContact C-N 3.29Å; A269-D271 PolarHBondContact O-N 2.82Å; A269-A272 HydrophobicContact CB-CB 4.06Å; A269-A272 VanDerWaalsContact O-CB 3.31Å; A269-A272 WeakPolarHBondContact O-CB 3.45Å; A269-A272 PolarHBondContact O-N 2.79Å; A269-T427 HydrophobicContact CB-CG2 3.43Å; A269-T427 VanDerWaalsContact CB-CG2 3.43Å; A269-L428 HydrophobicContact CB-CB 4.49Å
270	P	94	Very high	91.3	Very high	12 Å²	12	26.7 Å²	26.7	8%	0.078	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-31.6	-172	20.8	-31.5	0	0	0	114.7	T210 M262 F268	T210-P270 WeakPolarHBondContact O-CD 3.5Å; M262-P270 HydrophobicContact CE-CB 4.12Å; M262-P270 WeakPolarHBondContact CE-O 3.47Å; M262-P270 HydrophobicContact CG-CB 3.72Å; F268-P270 WeakPolarHBondContact O-CD 3.47Å
271	D	95.2	Very high	90.8	Very high	51 Å²	51	27.1 Å²	27.1	27%	0.273	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	6.1	-177.9	-69.4	-47.5	0	0	0	113.8	T210 A212 N232 M262 A269	T210-D271 VanDerWaalsContact CB-OD2 3.25Å; T210-D271 WeakPolarHBondContact CB-OD2 3.25Å; T210-D271 PolarHBondContact O-N 3.41Å; T210-D271 WeakPolarHBondContact OG1-CB 3.4Å; T210-D271 PolarHBondContact OG1-OD2 2.9Å; A212-D271 HydrophobicContact CB-CB 4.32Å; N232-D271 PolarHBondContact ND2-O 3.31Å; M262-D271 WeakPolarHBondContact CE-OD1 3.27Å; A269-D271 VanDerWaalsContact C-N 3.29Å; A269-D271 PolarHBondContact O-N 2.82Å
272	A	96.2	Very high	90.3	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.008	14%	0.139	C	C	.	.	S	Bend	trans	-62.5	151.1	177.1	0	0	0	0	0	112.8	G211 V216 N232 A269 L274 T427	G211-A272 VanDerWaalsContact O-CA 3.29Å; G211-A272 WeakPolarHBondContact O-CA 3.37Å; V216-A272 HydrophobicContact CG2-CB 4.1Å; N232-A272 WeakPolarHBondContact CB-O 3.43Å; N232-A272 PolarHBondContact ND2-O 2.87Å; A269-A272 HydrophobicContact CB-CB 4.06Å; A269-A272 VanDerWaalsContact O-CB 3.31Å; A269-A272 WeakPolarHBondContact O-CB 3.45Å; A269-A272 PolarHBondContact O-N 2.79Å; A272-L274 PolarHBondContact O-N 2.86Å; A272-T427 HydrophobicContact CB-CG2 3.68Å
273	E	96.3	Very high	89.9	Confident	41 Å²	41	33.5 Å²	33.5	19%	0.192	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	105.3	175.3	-60.8	-165.7	153.8	0	0	109.3	V214 R215 V216 K234	V214-E273 PolarHBondContact O-N 2.89Å; R215-E273 HydrophobicContact CG-CB 4.11Å; R215-E273 VanDerWaalsContact CG-OE2 3.31Å; R215-E273 WeakPolarHBondContact CG-OE2 3.35Å; V216-E273 PolarHBondContact N-O 2.77Å; K234-E273 VanDerWaalsContact CE-CD 3.42Å; K234-E273 WeakPolarHBondContact CE-OE1 3.36Å; K234-E273 HydrophobicContact CG-CB 3.75Å; K234-E273 HydrophobicContact CG-CG 4.1Å; K234-E273 IonicContact NZ-OE1 3.67Å
274	L	95.8	Very high	89.9	Confident	3 Å²	3	27 Å²	27	2%	0.016	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	124.2	-179.3	-71	176.1	0	0	0	111.3	F230 N232 V233 K234 E235 I259 A260 A272 I276	F230-L274 HydrophobicContact CD1-CD1 3.58Å; F230-L274 HydrophobicContact CE1-CD1 4.13Å; F230-L274 HydrophobicContact CG-CD1 4.39Å; N232-L274 PolarHBondContact O-N 3.28Å; V233-L274 HydrophobicContact CG2-CB 4.44Å; V233-L274 HydrophobicContact CG2-CD1 4.23Å; K234-L274 PolarHBondContact N-O 3.06Å; E235-L274 PolarHBondContact N-O 3.02Å; I259-L274 HydrophobicContact CG2-CD2 4.49Å; A260-L274 HydrophobicContact CB-CD1 3.93Å; A260-L274 HydrophobicContact CB-CD2 3.84Å; A260-L274 HydrophobicContact CB-CG 3.98Å; A272-L274 PolarHBondContact O-N 2.86Å; L274-I276 HydrophobicContact CB-CD1 4.26Å
275	H	96.1	Very high	89.9	Confident	14 Å²	14	20.9 Å²	20.9	7%	0.065	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	108.5	168.7	-68.5	-98.9	0	0	0	108.6	V216 A217 V218 E235 F277 I303	V216-H275 PolarHBondContact O-N 2.85Å; A217-H275 CarbonylContact C-O 3.54Å; A217-H275 VanDerWaalsContact CA-O 3.23Å; A217-H275 WeakPolarHBondContact CA-O 3.43Å; A217-H275 HydrophobicContact CB-CB 4.4Å; V218-H275 PolarHBondContact N-O 3Å; E235-H275 IonicContact OE2-CE1 3.04Å; E235-H275 IonicContact OE2-ND1 3.53Å; E235-H275 PolarHBondContact OE2-ND1 3.4Å; E235-H275 VanDerWaalsContact OE2-ND1 3.14Å; H275-F277 HydrophobicContact CB-CD1 4.39Å; H275-F277 HydrophobicContact CB-CE1 3.8Å; H275-F277 HydrophobicContact CB-CZ 4.5Å; H275-I303 HydrophobicContact CB-CD1 3.92Å
276	I	94.9	Very high	89.8	Confident	4 Å²	4	20.8 Å²	20.8	2%	0.021	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	112.1	-174.4	-53.8	-59	0	0	0	109.6	V218 L223 V233 E235 R236 T237 A256 L274	V218-I276 HydrophobicContact CB-CD1 3.96Å; V218-I276 HydrophobicContact CG2-CD1 4.17Å; L223-I276 HydrophobicContact CB-CB 4.33Å; L223-I276 HydrophobicContact CB-CD1 4.41Å; L223-I276 HydrophobicContact CB-CG1 3.93Å; L223-I276 HydrophobicContact CB-CG2 3.77Å; L223-I276 HydrophobicContact CD2-CD1 4.1Å; L223-I276 HydrophobicContact CD2-CG1 3.8Å; V233-I276 HydrophobicContact CG1-CG1 4.39Å; E235-I276 PolarHBondContact O-N 3.02Å; R236-I276 WeakPolarHBondContact CA-O 3.41Å; R236-I276 HydrophobicContact CG-CB 4.16Å; R236-I276 HydrophobicContact CG-CG1 4.47Å; T237-I276 PolarHBondContact N-O 3.5Å; A256-I276 HydrophobicContact CB-CD1 4.14Å; L274-I276 HydrophobicContact CB-CD1 4.26Å
277	F	93.3	Very high	89.7	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	106.3	-177.6	-70.7	16.4	0	0	0	107.8	V218 F219 D220 T237 W239 H275 V279 A294 Y297 A298	V218-F277 PolarHBondContact O-N 2.77Å; F219-F277 WeakPolarHBondContact CA-O 3.36Å; F219-F277 HydrophobicContact CD1-CB 3.76Å; F219-F277 AromaticContact CD1-CD2 3.92Å; F219-F277 HydrophobicContact CD1-CD2 3.92Å; F219-F277 HydrophobicContact CD1-CG 4.09Å; F219-F277 HydrophobicContact CE1-CB 3.88Å; F219-F277 AromaticContact CE1-CD2 3.11Å; F219-F277 HydrophobicContact CE1-CD2 3.11Å; F219-F277 AromaticContact CE1-CE2 3.72Å; F219-F277 HydrophobicContact CE1-CE2 3.72Å; F219-F277 AromaticContact CE1-CG 3.72Å; F219-F277 HydrophobicContact CE1-CG 3.72Å; F219-F277 HydrophobicContact CE2-CD2 4.32Å; F219-F277 HydrophobicContact CG-CB 4.3Å; F219-F277 AromaticContact CZ-CD2 3.37Å; F219-F277 HydrophobicContact CZ-CD2 3.37Å; F219-F277 AromaticContact CZ-CE2 3.89Å; F219-F277 HydrophobicContact CZ-CE2 3.89Å; F219-F277 HydrophobicContact CZ-CG 4.32Å; D220-F277 PolarHBondContact N-O 2.87Å; D220-F277 VanDerWaalsContact N-O 3.13Å; T237-F277 WeakPolarHBondContact OG1-CD1 3.42Å; W239-F277 HydrophobicContact CZ2-CD2 4.36Å; W239-F277 HydrophobicContact CZ2-CE2 4.34Å; W239-F277 AromaticContact NE1-CD2 3.52Å; W239-F277 AromaticContact NE1-CG 3.53Å; H275-F277 HydrophobicContact CB-CD1 4.39Å; H275-F277 HydrophobicContact CB-CE1 3.8Å; H275-F277 HydrophobicContact CB-CZ 4.5Å; F277-V279 HydrophobicContact CB-CG1 4.5Å; F277-V279 PolarHBondContact O-N 3.28Å; F277-A294 HydrophobicContact CD2-CB 4.14Å; F277-A294 WeakPolarHBondContact CE2-O 3.37Å; F277-Y297 HydrophobicContact CE1-CD1 4.36Å; F277-Y297 HydrophobicContact CE1-CE1 4.48Å; F277-Y297 AromaticContact CE2-CD1 3.93Å; F277-Y297 HydrophobicContact CE2-CD1 3.93Å; F277-Y297 AromaticContact CZ-CD1 3.6Å; F277-Y297 HydrophobicContact CZ-CD1 3.6Å; F277-Y297 HydrophobicContact CZ-CE1 4.08Å; F277-A298 HydrophobicContact CE2-CB 4.01Å
278	R	90.4	Very high	89.4	Confident	1 Å²	1	19.9 Å²	19.9	0%	0.004	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	109.1	173.8	178.7	-179.9	170.4	85	-3.3	108.8	D220 T221 T237 W239 T240 E242 T244 D246 F280 T281 N282	D220-R278 WeakPolarHBondContact O-CA 3.29Å; T221-R278 PolarHBondContact O-NH1 3.4Å; T237-R278 PolarHBondContact O-N 2.78Å; W239-R278 PolarHBondContact N-O 3.08Å; T240-R278 HydrophobicContact CG2-CG 4.38Å; E242-R278 IonicContact OE2-CZ 2.72Å; E242-R278 IonicContact OE2-NH2 2.87Å; E242-R278 PolarHBondContact OE2-NH2 2.86Å; T244-R278 WeakPolarHBondContact O-CD 3.31Å; D246-R278 PolarHBondContact O-NH1 2.86Å; R278-F280 WeakPolarHBondContact CG-O 3.38Å; R278-F280 PolarHBondContact NE-O 2.97Å; R278-F280 PolarHBondContact NH1-O 3.07Å; R278-F280 PolarHBondContact NH2-O 3.4Å; R278-T281 VanDerWaalsContact NH2-C 3.27Å; R278-N282 PolarHBondContact NH1-OD1 3.46Å; R278-N282 VanDerWaalsContact NH2-CG 3.3Å; R278-N282 PolarHBondContact NH2-OD1 3.33Å
279	V	87.6	Confident	89.1	Confident	0 Å²	0	20 Å²	20	0%	0	10%	0.103	C	C	.	.			trans	-114.2	-11.1	179.9	-63.5	0	0	0	0	112.6	F219 D220 W239 F277 S286 F291 A294	F219-V279 HydrophobicContact CB-CG2 4.18Å; F219-V279 HydrophobicContact CD2-CG1 4.16Å; D220-V279 PolarHBondContact O-N 2.88Å; W239-V279 HydrophobicContact CB-CG1 4.28Å; W239-V279 HydrophobicContact CG-CG1 4.27Å; F277-V279 HydrophobicContact CB-CG1 4.5Å; F277-V279 PolarHBondContact O-N 3.28Å; V279-S286 WeakPolarHBondContact O-CB 3.48Å; V279-S286 PolarHBondContact O-OG 3.02Å; V279-F291 HydrophobicContact CB-CD1 4.49Å; V279-F291 HydrophobicContact CB-CE1 4.14Å; V279-F291 HydrophobicContact CB-CZ 4.49Å; V279-F291 HydrophobicContact CG2-CD1 4.4Å; V279-F291 HydrophobicContact CG2-CE1 3.68Å; V279-F291 HydrophobicContact CG2-CZ 4.09Å; V279-A294 HydrophobicContact CG1-CB 3.98Å
280	F	84.6	Confident	88.8	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-111.4	139	172.4	-74.8	-85	0	0	0	111.8	V134 R136 T221 R278 V285 F291 I310	V134-F280 HydrophobicContact CG1-CE1 4.31Å; V134-F280 HydrophobicContact CG1-CZ 4.5Å; R136-F280 HydrophobicContact CB-CD1 4.29Å; R136-F280 HydrophobicContact CB-CE1 3.81Å; R136-F280 HydrophobicContact CB-CZ 4.41Å; T221-F280 HydrophobicContact CG2-CB 4.2Å; R278-F280 WeakPolarHBondContact CG-O 3.38Å; R278-F280 PolarHBondContact NE-O 2.97Å; R278-F280 PolarHBondContact NH1-O 3.07Å; R278-F280 PolarHBondContact NH2-O 3.4Å; F280-V285 WeakPolarHBondContact CA-O 3.31Å; F280-F291 HydrophobicContact CE2-CE1 4.43Å; F280-F291 AromaticContact CE2-CZ 3.71Å; F280-F291 HydrophobicContact CE2-CZ 3.71Å; F280-F291 HydrophobicContact CZ-CE2 4.41Å; F280-F291 AromaticContact CZ-CZ 3.79Å; F280-F291 HydrophobicContact CZ-CZ 3.79Å; F280-I310 HydrophobicContact CD2-CD1 4.19Å; F280-I310 HydrophobicContact CD2-CG1 4.48Å; F280-I310 HydrophobicContact CE2-CD1 3.43Å; F280-I310 VanDerWaalsContact CE2-CD1 3.43Å; F280-I310 HydrophobicContact CE2-CG1 3.58Å; F280-I310 HydrophobicContact CE2-CG2 4.35Å; F280-I310 HydrophobicContact CZ-CD1 4.33Å; F280-I310 HydrophobicContact CZ-CG1 4.08Å; F280-I310 HydrophobicContact CZ-CG2 4.04Å
281	T	83.7	Confident	88.6	Confident	11 Å²	11	21 Å²	21	7%	0.067	11%	0.106	C	C	.	.			trans	-71.6	171.2	169.4	62.4	0	0	0	0	111.5	T240 E242 R278 N283 Q284 V285 W290	T240-T281 HydrophobicContact CG2-CG2 4.06Å; E242-T281 HydrophobicContact CG-CG2 4.06Å; E242-T281 WeakPolarHBondContact OE1-CB 3.3Å; E242-T281 WeakPolarHBondContact OE2-CA 3.45Å; R278-T281 VanDerWaalsContact NH2-C 3.27Å; T281-N283 PolarHBondContact O-N 3.39Å; T281-Q284 WeakPolarHBondContact O-CA 3.49Å; T281-Q284 PolarHBondContact O-N 3.16Å; T281-Q284 PolarHBondContact OG1-N 3.44Å; T281-V285 PolarHBondContact N-O 3.06Å; T281-V285 WeakPolarHBondContact OG1-CB 3.47Å; T281-V285 PolarHBondContact OG1-N 3Å; T281-V285 PolarHBondContact OG1-O 2.92Å; T281-W290 HydrophobicContact CG2-CH2 4.09Å; T281-W290 HydrophobicContact CG2-CZ3 4.02Å
282	N	82.6	Confident	88.4	Confident	58 Å²	58	18.7 Å²	18.7	31%	0.31	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-24.3	173.9	-70.8	-20.2	0	0	0	112.1	E242 G248 R278 Q284	E242-N282 PolarHBondContact OE1-N 2.92Å; E242-N282 PolarHBondContact OE2-N 2.81Å; E242-N282 VanDerWaalsContact OE2-N 3.09Å; G248-N282 WeakPolarHBondContact CA-OD1 3.37Å; R278-N282 PolarHBondContact NH1-OD1 3.46Å; R278-N282 VanDerWaalsContact NH2-CG 3.3Å; R278-N282 PolarHBondContact NH2-OD1 3.33Å; N282-Q284 PolarHBondContact O-N 3.02Å
283	N	78.4	Confident	88.1	Confident	130 Å²	130	18.7 Å²	18.7	70%	0.695	9%	0.093	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	7.2	168.4	-62.5	-19.9	0	0	0	112.6	T281 V285	T281-N283 PolarHBondContact O-N 3.39Å; N283-V285 VanDerWaalsContact C-N 3.3Å; N283-V285 HydrophobicContact CB-CG2 4.37Å; N283-V285 PolarHBondContact O-N 2.87Å
284	Q	78.7	Confident	87.9	Confident	29 Å²	29	16.8 Å²	16.8	14%	0.136	8%	0.084	C	C	.	.			trans	60.6	35.8	175.4	-53	175.5	74.1	0	0	114.5	R136 L138 L249 T281 N282	R136-Q284 HydrophobicContact CB-CB 4.49Å; R136-Q284 PolarHBondContact N-O 2.89Å; R136-Q284 WeakPolarHBondContact O-CB 3.33Å; R136-Q284 VanDerWaalsContact O-CD 3.23Å; R136-Q284 PolarHBondContact O-OE1 2.74Å; L138-Q284 VanDerWaalsContact CB-OE1 3.29Å; L249-Q284 HydrophobicContact CD1-CG 3.45Å; L249-Q284 VanDerWaalsContact CD1-CG 3.45Å; L249-Q284 HydrophobicContact CD2-CG 4.29Å; T281-Q284 WeakPolarHBondContact O-CA 3.49Å; T281-Q284 PolarHBondContact O-N 3.16Å; T281-Q284 PolarHBondContact OG1-N 3.44Å; N282-Q284 PolarHBondContact O-N 3.02Å
285	V	81.6	Confident	87.8	Confident	15 Å²	15	16.6 Å²	16.6	9%	0.091	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	139.6	175.3	179.6	0	0	0	0	109.7	K133 V134 F135 F280 T281 N283 Y287	K133-V285 HydrophobicContact CD-CG1 4.04Å; K133-V285 HydrophobicContact CG-CG1 3.65Å; V134-V285 CarbonylContact O-C 3.44Å; V134-V285 WeakPolarHBondContact O-CA 3.19Å; F135-V285 HydrophobicContact CD1-CG2 3.6Å; F135-V285 HydrophobicContact CE1-CG2 3.42Å; F135-V285 VanDerWaalsContact CE1-CG2 3.42Å; F135-V285 HydrophobicContact CG-CG2 4.48Å; F135-V285 HydrophobicContact CZ-CG2 4.17Å; F280-V285 WeakPolarHBondContact CA-O 3.31Å; T281-V285 PolarHBondContact N-O 3.06Å; T281-V285 WeakPolarHBondContact OG1-CB 3.47Å; T281-V285 PolarHBondContact OG1-N 3Å; T281-V285 PolarHBondContact OG1-O 2.92Å; N283-V285 VanDerWaalsContact C-N 3.3Å; N283-V285 HydrophobicContact CB-CG2 4.37Å; N283-V285 PolarHBondContact O-N 2.87Å; V285-Y287 HydrophobicContact CG1-CE2 4.15Å
286	S	84.3	Confident	87.7	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	169.1	167	-174	0	0	0	0	110.4	K133 V134 V279 F291	K133-S286 CarbonylContact C-O 3.51Å; K133-S286 WeakPolarHBondContact CA-O 3.33Å; V134-S286 PolarHBondContact N-O 2.93Å; V134-S286 PolarHBondContact O-N 2.89Å; V279-S286 WeakPolarHBondContact O-CB 3.48Å; V279-S286 PolarHBondContact O-OG 3.02Å; S286-F291 WeakPolarHBondContact OG-CD2 3.29Å; S286-F291 WeakPolarHBondContact OG-CE2 3.47Å
287	Y	85.6	Confident	87.6	Confident	45 Å²	45	17.1 Å²	17.1	18%	0.176	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	148	170.4	-69.3	-103.4	0	0	0	109.4	V54 Q131 R132 K133 V285 S289 W290 F291	V54-Y287 HydrophobicContact CG2-CD1 3.82Å; V54-Y287 HydrophobicContact CG2-CE1 3.54Å; Q131-Y287 HydrophobicContact CG-CD1 4.31Å; R132-Y287 CarbonylContact O-C 3.58Å; R132-Y287 VanDerWaalsContact O-CA 3.32Å; R132-Y287 WeakPolarHBondContact O-CA 3.26Å; K133-Y287 HydrophobicContact CB-CD1 3.66Å; K133-Y287 HydrophobicContact CB-CE1 3.61Å; K133-Y287 HydrophobicContact CB-CG 4.25Å; K133-Y287 HydrophobicContact CD-CE1 4.08Å; K133-Y287 HydrophobicContact CG-CD1 4.27Å; K133-Y287 HydrophobicContact CG-CE1 3.95Å; K133-Y287 HydrophobicContact CG-CE2 4.25Å; V285-Y287 HydrophobicContact CG1-CE2 4.15Å; Y287-S289 PolarHBondContact O-N 2.6Å; Y287-W290 AromaticContact CD2-CD2 3.8Å; Y287-W290 HydrophobicContact CD2-CD2 3.8Å; Y287-W290 AromaticContact CD2-CE2 3.49Å; Y287-W290 VanDerWaalsContact CD2-CE2 3.49Å; Y287-W290 AromaticContact CD2-CE3 3.88Å; Y287-W290 HydrophobicContact CD2-CE3 3.88Å; Y287-W290 AromaticContact CD2-CH2 3.41Å; Y287-W290 HydrophobicContact CD2-CH2 3.41Å; Y287-W290 VanDerWaalsContact CD2-CH2 3.41Å; Y287-W290 AromaticContact CD2-CZ2 3.31Å; Y287-W290 HydrophobicContact CD2-CZ2 3.31Å; Y287-W290 AromaticContact CD2-CZ3 3.69Å; Y287-W290 HydrophobicContact CD2-CZ3 3.69Å; Y287-W290 AromaticContact CE2-CH2 3.6Å; Y287-W290 HydrophobicContact CE2-CH2 3.6Å; Y287-W290 AromaticContact CE2-CZ2 3.61Å; Y287-W290 HydrophobicContact CE2-CZ2 3.61Å; Y287-W290 HydrophobicContact CE2-CZ3 4.23Å; Y287-W290 HydrophobicContact CG-CD2 4.33Å; Y287-W290 HydrophobicContact CG-CZ2 4.34Å; Y287-W290 WeakPolarHBondContact O-CB 3.3Å; Y287-W290 PolarHBondContact O-N 2.82Å; Y287-F291 WeakPolarHBondContact O-CD2 3.44Å; Y287-F291 PolarHBondContact O-N 3.02Å
288	T	86.7	Confident	87.7	Confident	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-54.6	-44.5	176.1	-59.2	0	0	0	0	110.7	I59 R132 W290 F291 L292 D317 P319 F320	I59-T288 HydrophobicContact CD1-CG2 3.82Å; R132-T288 WeakPolarHBondContact CB-OG1 3.47Å; R132-T288 PolarHBondContact O-N 2.88Å; R132-T288 PolarHBondContact O-OG1 2.79Å; T288-W290 PolarHBondContact O-N 3.1Å; T288-F291 WeakPolarHBondContact O-CB 3.23Å; T288-F291 PolarHBondContact O-N 2.71Å; T288-L292 HydrophobicContact CG2-CD1 4.36Å; T288-L292 HydrophobicContact CG2-CG 4.28Å; T288-L292 WeakPolarHBondContact O-CG 3.39Å; T288-L292 PolarHBondContact O-N 2.88Å; T288-D317 WeakPolarHBondContact CB-OD2 3.35Å; T288-D317 WeakPolarHBondContact CG2-OD1 3.35Å; T288-D317 WeakPolarHBondContact CG2-OD2 3.31Å; T288-D317 PolarHBondContact OG1-OD2 2.89Å; T288-P319 HydrophobicContact CG2-CB 4.22Å; T288-F320 HydrophobicContact CG2-CB 4.38Å
289	S	88.7	Confident	87.8	Confident	6 Å²	6	18.2 Å²	18.2	4%	0.042	9%	0.092	C	C	.	.	H	α-helix	trans	-58.9	-32.1	177.6	50.9	0	0	0	0	113.7	Q131 Y287 L292 D293	Q131-S289 VanDerWaalsContact OE1-CB 3.28Å; Q131-S289 PolarHBondContact OE1-OG 3.45Å; Y287-S289 PolarHBondContact O-N 2.6Å; S289-L292 PolarHBondContact O-N 3.4Å; S289-D293 PolarHBondContact O-N 3.42Å
290	W	89.8	Confident	88.1	Confident	22 Å²	22	21.9 Å²	21.9	8%	0.083	11%	0.11	C	C	.	.	H	α-helix	trans	-68.3	-39	174.5	-61.5	-10.3	0	0	0	112	W239 T240 N241 T281 Y287 T288 A294	W239-W290 HydrophobicContact CB-CB 4.28Å; W239-W290 VanDerWaalsContact O-CD2 3.23Å; W239-W290 PolarHBondContact O-NE1 2.71Å; T240-W290 HydrophobicContact CG2-CE3 3.86Å; T240-W290 HydrophobicContact CG2-CH2 4.36Å; T240-W290 HydrophobicContact CG2-CZ3 3.63Å; N241-W290 HydrophobicContact CB-CZ2 4.29Å; T281-W290 HydrophobicContact CG2-CH2 4.09Å; T281-W290 HydrophobicContact CG2-CZ3 4.02Å; Y287-W290 AromaticContact CD2-CD2 3.8Å; Y287-W290 HydrophobicContact CD2-CD2 3.8Å; Y287-W290 AromaticContact CD2-CE2 3.49Å; Y287-W290 VanDerWaalsContact CD2-CE2 3.49Å; Y287-W290 AromaticContact CD2-CE3 3.88Å; Y287-W290 HydrophobicContact CD2-CE3 3.88Å; Y287-W290 AromaticContact CD2-CH2 3.41Å; Y287-W290 HydrophobicContact CD2-CH2 3.41Å; Y287-W290 VanDerWaalsContact CD2-CH2 3.41Å; Y287-W290 AromaticContact CD2-CZ2 3.31Å; Y287-W290 HydrophobicContact CD2-CZ2 3.31Å; Y287-W290 AromaticContact CD2-CZ3 3.69Å; Y287-W290 HydrophobicContact CD2-CZ3 3.69Å; Y287-W290 AromaticContact CE2-CH2 3.6Å; Y287-W290 HydrophobicContact CE2-CH2 3.6Å; Y287-W290 AromaticContact CE2-CZ2 3.61Å; Y287-W290 HydrophobicContact CE2-CZ2 3.61Å; Y287-W290 HydrophobicContact CE2-CZ3 4.23Å; Y287-W290 HydrophobicContact CG-CD2 4.33Å; Y287-W290 HydrophobicContact CG-CZ2 4.34Å; Y287-W290 WeakPolarHBondContact O-CB 3.3Å; Y287-W290 PolarHBondContact O-N 2.82Å; T288-W290 PolarHBondContact O-N 3.1Å; W290-A294 WeakPolarHBondContact O-CB 3.49Å; W290-A294 PolarHBondContact O-N 3.18Å
291	F	89.7	Confident	88.5	Confident	9 Å²	9	25.2 Å²	25.2	4%	0.039	13%	0.125	C	C	.	.	H	α-helix	trans	-64.9	-44.5	172.7	-74.7	-76	0	0	0	111.5	F219 V279 F280 S286 Y287 T288 D293 A294 F295 L308 F320	F219-F291 HydrophobicContact CD2-CD1 4.36Å; V279-F291 HydrophobicContact CB-CD1 4.49Å; V279-F291 HydrophobicContact CB-CE1 4.14Å; V279-F291 HydrophobicContact CB-CZ 4.49Å; V279-F291 HydrophobicContact CG2-CD1 4.4Å; V279-F291 HydrophobicContact CG2-CE1 3.68Å; V279-F291 HydrophobicContact CG2-CZ 4.09Å; F280-F291 HydrophobicContact CE2-CE1 4.43Å; F280-F291 AromaticContact CE2-CZ 3.71Å; F280-F291 HydrophobicContact CE2-CZ 3.71Å; F280-F291 HydrophobicContact CZ-CE2 4.41Å; F280-F291 AromaticContact CZ-CZ 3.79Å; F280-F291 HydrophobicContact CZ-CZ 3.79Å; S286-F291 WeakPolarHBondContact OG-CD2 3.29Å; S286-F291 WeakPolarHBondContact OG-CE2 3.47Å; Y287-F291 WeakPolarHBondContact O-CD2 3.44Å; Y287-F291 PolarHBondContact O-N 3.02Å; T288-F291 WeakPolarHBondContact O-CB 3.23Å; T288-F291 PolarHBondContact O-N 2.71Å; F291-D293 VanDerWaalsContact C-N 3.34Å; F291-D293 PolarHBondContact O-N 2.53Å; F291-A294 PolarHBondContact O-N 3.36Å; F291-F295 HydrophobicContact CB-CD2 4.27Å; F291-F295 HydrophobicContact CB-CE2 3.98Å; F291-F295 HydrophobicContact CD1-CZ 4.47Å; F291-F295 WeakPolarHBondContact O-CB 3.48Å; F291-F295 WeakPolarHBondContact O-CD2 3.31Å; F291-F295 VanDerWaalsContact O-CG 3.25Å; F291-F295 WeakPolarHBondContact O-CG 3.23Å; F291-F295 PolarHBondContact O-N 2.74Å; F291-L308 HydrophobicContact CE1-CD1 4.13Å; F291-F320 HydrophobicContact CB-CD2 4.01Å; F291-F320 HydrophobicContact CB-CE2 4.06Å; F291-F320 HydrophobicContact CD1-CE2 4.05Å; F291-F320 HydrophobicContact CD2-CE2 4.41Å; F291-F320 HydrophobicContact CG-CD2 4.25Å; F291-F320 AromaticContact CG-CE2 3.94Å; F291-F320 HydrophobicContact CG-CE2 3.94Å
292	L	90.5	Very high	88.9	Confident	4 Å²	4	31.9 Å²	31.9	2%	0.021	15%	0.153	C	C	.	.	H	α-helix	trans	-58.5	-45.9	179.1	-61.1	-177.7	0	0	0	111.8	I59 F103 T288 S289 F295 N296 P319 K323	I59-L292 HydrophobicContact CD1-CD1 4.21Å; I59-L292 HydrophobicContact CG2-CD1 4Å; F103-L292 HydrophobicContact CD1-CB 3.92Å; F103-L292 HydrophobicContact CD1-CD1 4.08Å; F103-L292 HydrophobicContact CD2-CD1 3.98Å; F103-L292 HydrophobicContact CE1-CB 3.35Å; F103-L292 HydrophobicContact CE1-CD1 4.19Å; F103-L292 HydrophobicContact CE1-CG 4.41Å; F103-L292 HydrophobicContact CE2-CB 4.27Å; F103-L292 HydrophobicContact CE2-CD1 4.08Å; F103-L292 HydrophobicContact CG-CD1 3.97Å; F103-L292 HydrophobicContact CZ-CB 3.55Å; F103-L292 HydrophobicContact CZ-CD1 4.18Å; F103-L292 HydrophobicContact CZ-CG 4.48Å; T288-L292 HydrophobicContact CG2-CD1 4.36Å; T288-L292 HydrophobicContact CG2-CG 4.28Å; T288-L292 WeakPolarHBondContact O-CG 3.39Å; T288-L292 PolarHBondContact O-N 2.88Å; S289-L292 PolarHBondContact O-N 3.4Å; L292-F295 PolarHBondContact O-N 2.91Å; L292-N296 WeakPolarHBondContact O-CB 3.29Å; L292-N296 PolarHBondContact O-N 2.99Å; L292-P319 HydrophobicContact CD1-CB 4.02Å; L292-P319 HydrophobicContact CD2-CB 4.3Å; L292-P319 VanDerWaalsContact CD2-O 3.28Å; L292-P319 WeakPolarHBondContact CD2-O 3.34Å; L292-K323 HydrophobicContact CD2-CB 3.57Å; L292-K323 HydrophobicContact CD2-CG 3.85Å
293	D	91.4	Very high	89.6	Confident	1 Å²	1	29.3 Å²	29.3	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-66	-43.1	176.6	-83.7	-16.2	0	0	0	112.8	R92 N94 S96 F103 W239 S289 F291 F295 N296 Y297	R92-D293 WeakPolarHBondContact CD-OD2 3.28Å; R92-D293 IonicContact CZ-OD1 2.68Å; R92-D293 IonicContact CZ-OD2 3.18Å; R92-D293 IonicContact NH1-OD1 3.71Å; R92-D293 PolarHBondContact NH1-OD1 2.79Å; R92-D293 IonicContact NH1-OD2 2.73Å; R92-D293 PolarHBondContact NH1-OD2 3.04Å; N94-D293 PolarHBondContact ND2-OD2 3.34Å; S96-D293 WeakPolarHBondContact OG-CB 3.36Å; S96-D293 PolarHBondContact OG-OD1 3.22Å; F103-D293 WeakPolarHBondContact CE1-OD1 3.29Å; F103-D293 HydrophobicContact CZ-CB 4.46Å; F103-D293 WeakPolarHBondContact CZ-OD1 3.36Å; W239-D293 HydrophobicContact CE3-CB 3.82Å; W239-D293 HydrophobicContact CZ3-CB 3.76Å; S289-D293 PolarHBondContact O-N 3.42Å; F291-D293 VanDerWaalsContact C-N 3.34Å; F291-D293 PolarHBondContact O-N 2.53Å; D293-F295 VanDerWaalsContact C-N 3.31Å; D293-F295 PolarHBondContact O-N 3.01Å; D293-N296 PolarHBondContact O-N 2.8Å; D293-Y297 WeakPolarHBondContact O-CB 3.43Å; D293-Y297 PolarHBondContact O-N 3.28Å
294	A	92.3	Very high	90.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.9	-40	176.2	0	0	0	0	0	111.7	F219 W239 F277 V279 W290 F291 Y297 A298	F219-A294 HydrophobicContact CD2-CB 4.33Å; F219-A294 HydrophobicContact CE2-CB 3.53Å; F219-A294 HydrophobicContact CZ-CB 3.86Å; W239-A294 HydrophobicContact CD2-CB 3.79Å; W239-A294 HydrophobicContact CE3-CB 4.38Å; W239-A294 HydrophobicContact CG-CB 3.91Å; W239-A294 HydrophobicContact CZ2-CB 4.4Å; F277-A294 HydrophobicContact CD2-CB 4.14Å; F277-A294 WeakPolarHBondContact CE2-O 3.37Å; V279-A294 HydrophobicContact CG1-CB 3.98Å; W290-A294 WeakPolarHBondContact O-CB 3.49Å; W290-A294 PolarHBondContact O-N 3.18Å; F291-A294 PolarHBondContact O-N 3.36Å; A294-Y297 PolarHBondContact O-N 3.48Å; A294-A298 WeakPolarHBondContact O-CB 3.09Å; A294-A298 PolarHBondContact O-N 2.77Å
295	F	93.3	Very high	91.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-67.5	-46.2	175.1	-70.1	-44	0	0	0	112	F219 F291 L292 D293 Y297 A298 I299 L306 F320 K323 V324 L327 M334	F219-F295 HydrophobicContact CD2-CD1 4.33Å; F219-F295 AromaticContact CD2-CE1 3.92Å; F219-F295 HydrophobicContact CD2-CE1 3.92Å; F219-F295 AromaticContact CE2-CD1 3.43Å; F219-F295 HydrophobicContact CE2-CD1 3.43Å; F219-F295 VanDerWaalsContact CE2-CD1 3.43Å; F219-F295 AromaticContact CE2-CE1 3.46Å; F219-F295 HydrophobicContact CE2-CE1 3.46Å; F219-F295 VanDerWaalsContact CE2-CE1 3.46Å; F219-F295 HydrophobicContact CE2-CG 4.22Å; F219-F295 HydrophobicContact CE2-CZ 4.3Å; F219-F295 AromaticContact CZ-CD1 3.85Å; F219-F295 HydrophobicContact CZ-CD1 3.85Å; F219-F295 HydrophobicContact CZ-CE1 4.17Å; F291-F295 HydrophobicContact CB-CD2 4.27Å; F291-F295 HydrophobicContact CB-CE2 3.98Å; F291-F295 HydrophobicContact CD1-CZ 4.47Å; F291-F295 WeakPolarHBondContact O-CB 3.48Å; F291-F295 WeakPolarHBondContact O-CD2 3.31Å; F291-F295 VanDerWaalsContact O-CG 3.25Å; F291-F295 WeakPolarHBondContact O-CG 3.23Å; F291-F295 PolarHBondContact O-N 2.74Å; L292-F295 PolarHBondContact O-N 2.91Å; D293-F295 VanDerWaalsContact C-N 3.31Å; D293-F295 PolarHBondContact O-N 3.01Å; F295-Y297 PolarHBondContact O-N 3.3Å; F295-A298 WeakPolarHBondContact O-CB 3.47Å; F295-A298 PolarHBondContact O-N 2.72Å; F295-A298 VanDerWaalsContact O-N 3.08Å; F295-I299 WeakPolarHBondContact O-CG1 3.43Å; F295-I299 PolarHBondContact O-N 3.45Å; F295-L306 HydrophobicContact CD1-CD1 4.15Å; F295-L306 HydrophobicContact CE1-CD1 4.07Å; F295-L306 HydrophobicContact CE1-CD2 4.41Å; F295-F320 AromaticContact CE2-CD2 3.9Å; F295-F320 HydrophobicContact CE2-CD2 3.9Å; F295-F320 AromaticContact CE2-CE2 3.57Å; F295-F320 HydrophobicContact CE2-CE2 3.57Å; F295-F320 HydrophobicContact CE2-CZ 4.3Å; F295-F320 AromaticContact CZ-CE2 3.87Å; F295-F320 HydrophobicContact CZ-CE2 3.87Å; F295-F320 HydrophobicContact CZ-CZ 4.28Å; F295-K323 HydrophobicContact CB-CD 3.99Å; F295-K323 HydrophobicContact CB-CG 3.52Å; F295-K323 HydrophobicContact CD2-CB 4.2Å; F295-K323 HydrophobicContact CD2-CG 3.52Å; F295-K323 HydrophobicContact CG-CG 3.9Å; F295-V324 HydrophobicContact CE2-CG2 4.39Å; F295-V324 HydrophobicContact CZ-CG2 4.37Å; F295-L327 HydrophobicContact CD1-CD1 4.2Å; F295-L327 HydrophobicContact CD1-CD2 3.79Å; F295-L327 HydrophobicContact CD1-CG 4.48Å; F295-L327 HydrophobicContact CE1-CD2 3.9Å; F295-M334 HydrophobicContact CZ-CE 4.45Å
296	N	92.9	Very high	92	Very high	13 Å²	13	22.4 Å²	22.4	7%	0.07	10%	0.103	C	C	.	.	H	α-helix	trans	-55.6	-41.9	174.5	-81.1	-16.3	0	0	0	111.4	Y65 S101 D102 L292 D293 I299 L300 K323	Y65-N296 PolarHBondContact OH-OD1 2.82Å; S101-N296 PolarHBondContact OG-ND2 3.05Å; D102-N296 PolarHBondContact OD1-ND2 3.4Å; L292-N296 WeakPolarHBondContact O-CB 3.29Å; L292-N296 PolarHBondContact O-N 2.99Å; D293-N296 PolarHBondContact O-N 2.8Å; N296-I299 PolarHBondContact O-N 2.87Å; N296-L300 WeakPolarHBondContact O-CB 3.46Å; N296-L300 PolarHBondContact O-N 3.49Å; N296-K323 PolarHBondContact OD1-NZ 3.01Å
297	Y	93.9	Very high	92.6	Very high	16 Å²	16	22.4 Å²	22.4	6%	0.063	10%	0.103	C	C	.	.	H	α-helix	trans	-70.8	-36.1	176.7	-167.9	-103.5	0	0	0	113.1	P95 Y99 E235 T237 W239 F277 D293 A294 F295 I299 L300 K301	P95-Y297 HydrophobicContact CB-CD2 4.4Å; P95-Y297 HydrophobicContact CB-CE2 3.95Å; Y99-Y297 HydrophobicContact CE2-CE2 4.25Å; E235-Y297 VanDerWaalsContact OE1-CE1 3.26Å; E235-Y297 WeakPolarHBondContact OE1-CE1 3.33Å; E235-Y297 VanDerWaalsContact OE1-CZ 3.31Å; E235-Y297 PolarHBondContact OE1-OH 3.37Å; T237-Y297 HydrophobicContact CG2-CE1 4.24Å; W239-Y297 AromaticContact CH2-CD1 3.92Å; W239-Y297 HydrophobicContact CH2-CD1 3.92Å; W239-Y297 HydrophobicContact CH2-CD2 4.07Å; W239-Y297 AromaticContact CH2-CG 3.52Å; W239-Y297 HydrophobicContact CH2-CG 3.52Å; W239-Y297 AromaticContact CZ2-CD1 3.57Å; W239-Y297 HydrophobicContact CZ2-CD1 3.57Å; W239-Y297 HydrophobicContact CZ2-CE1 4.32Å; W239-Y297 AromaticContact CZ2-CG 3.67Å; W239-Y297 HydrophobicContact CZ2-CG 3.67Å; F277-Y297 HydrophobicContact CE1-CD1 4.36Å; F277-Y297 HydrophobicContact CE1-CE1 4.48Å; F277-Y297 AromaticContact CE2-CD1 3.93Å; F277-Y297 HydrophobicContact CE2-CD1 3.93Å; F277-Y297 AromaticContact CZ-CD1 3.6Å; F277-Y297 HydrophobicContact CZ-CD1 3.6Å; F277-Y297 HydrophobicContact CZ-CE1 4.08Å; D293-Y297 WeakPolarHBondContact O-CB 3.43Å; D293-Y297 PolarHBondContact O-N 3.28Å; A294-Y297 PolarHBondContact O-N 3.48Å; F295-Y297 PolarHBondContact O-N 3.3Å; Y297-I299 VanDerWaalsContact C-N 3.33Å; Y297-I299 PolarHBondContact O-N 3.15Å; Y297-L300 HydrophobicContact CD2-CD2 4.1Å; Y297-L300 HydrophobicContact CE2-CD2 4.22Å; Y297-L300 WeakPolarHBondContact O-CB 3.47Å; Y297-L300 PolarHBondContact O-N 3.26Å; Y297-K301 HydrophobicContact CD1-CG 4.05Å; Y297-K301 HydrophobicContact CE1-CD 4.37Å; Y297-K301 HydrophobicContact CE1-CG 3.82Å; Y297-K301 WeakPolarHBondContact O-CB 3.3Å; Y297-K301 WeakPolarHBondContact O-CG 3.28Å; Y297-K301 PolarHBondContact O-N 2.8Å; Y297-K301 WeakPolarHBondContact OH-CE 3.36Å; Y297-K301 PolarHBondContact OH-NZ 2.98Å
298	A	94.3	Very high	92.8	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-62.3	-40.7	173.4	0	0	0	0	0	111.8	F219 F277 A294 F295 K301 K302 I303 L306 L327	F219-A298 HydrophobicContact CE1-CB 4.48Å; F219-A298 HydrophobicContact CZ-CB 4.16Å; F277-A298 HydrophobicContact CE2-CB 4.01Å; A294-A298 WeakPolarHBondContact O-CB 3.09Å; A294-A298 PolarHBondContact O-N 2.77Å; F295-A298 WeakPolarHBondContact O-CB 3.47Å; F295-A298 PolarHBondContact O-N 2.72Å; F295-A298 VanDerWaalsContact O-N 3.08Å; A298-K301 PolarHBondContact O-N 3.18Å; A298-K302 PolarHBondContact O-N 2.6Å; A298-K302 VanDerWaalsContact O-N 3.08Å; A298-I303 HydrophobicContact CB-CB 4.38Å; A298-I303 HydrophobicContact CB-CG1 3.93Å; A298-I303 WeakPolarHBondContact O-CG1 3.28Å; A298-I303 PolarHBondContact O-N 3.1Å; A298-L306 HydrophobicContact CB-CD1 4.43Å; A298-L327 HydrophobicContact CB-CD1 4.26Å
299	I	93.8	Very high	92.5	Very high	24 Å²	24	20.5 Å²	20.5	12%	0.123	10%	0.096	C	C	.	.	H	α-helix	trans	-62.1	-48.4	173.7	-65.2	166.3	0	0	0	110	F295 N296 Y297 K301 K302 E326 L327 N330	F295-I299 WeakPolarHBondContact O-CG1 3.43Å; F295-I299 PolarHBondContact O-N 3.45Å; N296-I299 PolarHBondContact O-N 2.87Å; Y297-I299 VanDerWaalsContact C-N 3.33Å; Y297-I299 PolarHBondContact O-N 3.15Å; I299-K301 VanDerWaalsContact C-N 3.32Å; I299-K301 PolarHBondContact O-N 3.47Å; I299-K302 WeakPolarHBondContact O-CA 3.44Å; I299-K302 PolarHBondContact O-N 2.89Å; I299-E326 HydrophobicContact CD1-CG 4.19Å; I299-L327 HydrophobicContact CD1-CD1 4.36Å; I299-L327 HydrophobicContact CG1-CD1 3.77Å; I299-N330 HydrophobicContact CG1-CB 4.22Å; I299-N330 HydrophobicContact CG2-CB 3.91Å
300	L	92.6	Very high	91.6	Very high	76 Å²	76	20.7 Å²	20.7	40%	0.398	10%	0.097	S	C	.	.	H	α-helix	trans	-57.6	-43	177.7	-175.8	97.1	0	0	0	112.2	Y99 N296 Y297 K302	Y99-L300 HydrophobicContact CD1-CD1 3.56Å; Y99-L300 HydrophobicContact CD1-CD2 3.78Å; Y99-L300 HydrophobicContact CD1-CG 4.32Å; Y99-L300 HydrophobicContact CD2-CD2 4.02Å; Y99-L300 HydrophobicContact CE1-CD1 3.88Å; Y99-L300 HydrophobicContact CE1-CD2 3.51Å; Y99-L300 HydrophobicContact CE1-CG 4.3Å; Y99-L300 HydrophobicContact CE2-CD2 3.77Å; Y99-L300 HydrophobicContact CG-CD1 4.14Å; Y99-L300 HydrophobicContact CG-CD2 4.02Å; N296-L300 WeakPolarHBondContact O-CB 3.46Å; N296-L300 PolarHBondContact O-N 3.49Å; Y297-L300 HydrophobicContact CD2-CD2 4.1Å; Y297-L300 HydrophobicContact CE2-CD2 4.22Å; Y297-L300 WeakPolarHBondContact O-CB 3.47Å; Y297-L300 PolarHBondContact O-N 3.26Å; L300-K302 PolarHBondContact O-N 3.03Å
301	K	92.8	Very high	90.3	Very high	71 Å²	71	20.1 Å²	20.1	31%	0.309	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-6.2	176.3	-67.5	-62.3	-174.8	-178.2	0	113.5	R215 Y297 A298 I299 I303	R215-K301 PolarHBondContact NH1-O 3.02Å; Y297-K301 HydrophobicContact CD1-CG 4.05Å; Y297-K301 HydrophobicContact CE1-CD 4.37Å; Y297-K301 HydrophobicContact CE1-CG 3.82Å; Y297-K301 WeakPolarHBondContact O-CB 3.3Å; Y297-K301 WeakPolarHBondContact O-CG 3.28Å; Y297-K301 PolarHBondContact O-N 2.8Å; Y297-K301 WeakPolarHBondContact OH-CE 3.36Å; Y297-K301 PolarHBondContact OH-NZ 2.98Å; A298-K301 PolarHBondContact O-N 3.18Å; I299-K301 VanDerWaalsContact C-N 3.32Å; I299-K301 PolarHBondContact O-N 3.47Å; K301-I303 VanDerWaalsContact C-N 3.32Å; K301-I303 HydrophobicContact CB-CD1 4.21Å; K301-I303 HydrophobicContact CB-CG1 4.27Å; K301-I303 PolarHBondContact O-N 2.53Å
302	K	93.6	Very high	88.9	Confident	151 Å²	151	19.9 Å²	19.9	66%	0.657	10%	0.097	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	48.4	-176.2	-56.2	179.4	177.4	-173.8	0	111.1	R215 A298 I299 L300 D304	R215-K302 PolarHBondContact NE-O 2.86Å; R215-K302 PolarHBondContact NH1-O 2.71Å; R215-K302 PolarHBondContact NH2-O 2.81Å; A298-K302 PolarHBondContact O-N 2.6Å; A298-K302 VanDerWaalsContact O-N 3.08Å; I299-K302 WeakPolarHBondContact O-CA 3.44Å; I299-K302 PolarHBondContact O-N 2.89Å; L300-K302 PolarHBondContact O-N 3.03Å; K302-D304 PolarHBondContact O-N 3.15Å
303	I	95.9	Very high	86.9	Confident	3 Å²	3	21.5 Å²	21.5	2%	0.015	11%	0.108	C	C	.	.			trans	-55.7	137.1	176.7	-65.2	-60	0	0	0	109.7	R215 A217 H275 A298 K301 V305 V332	R215-I303 HydrophobicContact CB-CD1 4.11Å; A217-I303 HydrophobicContact CB-CB 4.47Å; A217-I303 HydrophobicContact CB-CD1 4.27Å; A217-I303 HydrophobicContact CB-CG1 4.11Å; A217-I303 HydrophobicContact CB-CG2 3.63Å; H275-I303 HydrophobicContact CB-CD1 3.92Å; A298-I303 HydrophobicContact CB-CB 4.38Å; A298-I303 HydrophobicContact CB-CG1 3.93Å; A298-I303 WeakPolarHBondContact O-CG1 3.28Å; A298-I303 PolarHBondContact O-N 3.1Å; K301-I303 VanDerWaalsContact C-N 3.32Å; K301-I303 HydrophobicContact CB-CD1 4.21Å; K301-I303 HydrophobicContact CB-CG1 4.27Å; K301-I303 PolarHBondContact O-N 2.53Å; I303-V305 WeakPolarHBondContact CG2-O 3.43Å; I303-V332 HydrophobicContact CG2-CG1 4.34Å; I303-V332 WeakPolarHBondContact O-CG2 3.43Å
304	D	95.6	Very high	85.3	Confident	30 Å²	30	22.3 Å²	22.3	16%	0.16	11%	0.112	C	C	.	.	S	Bend	trans	-87.8	-41.9	-177	-51.2	-62.6	0	0	0	110.9	V214 R215 K302 I333	V214-D304 HydrophobicContact CG1-CB 4.04Å; R215-D304 WeakPolarHBondContact CB-OD2 3.43Å; R215-D304 IonicContact CZ-OD1 2.82Å; R215-D304 IonicContact CZ-OD2 2.67Å; R215-D304 PolarHBondContact N-OD2 2.04Å; R215-D304 IonicContact NE-OD1 3.79Å; R215-D304 IonicContact NE-OD2 2.81Å; R215-D304 PolarHBondContact NE-OD2 3.21Å; R215-D304 VanDerWaalsContact NE-OD2 3.16Å; R215-D304 IonicContact NH2-OD1 3.73Å; R215-D304 PolarHBondContact NH2-OD1 2.74Å; R215-D304 IonicContact NH2-OD2 3.03Å; R215-D304 PolarHBondContact O-N 3.34Å; K302-D304 PolarHBondContact O-N 3.15Å; D304-I333 PolarHBondContact O-N 3.21Å
305	V	97.3	Very high	83.5	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	133.1	-179.9	-175.4	0	0	0	0	110.2	V214 R215 V216 A217 I303 I333 A423 V426 V430	V214-V305 HydrophobicContact CG1-CG2 4.38Å; R215-V305 PolarHBondContact O-N 3.08Å; R215-V305 VanDerWaalsContact O-N 3.13Å; V216-V305 CarbonylContact C-O 3.51Å; V216-V305 VanDerWaalsContact CA-O 3.29Å; V216-V305 WeakPolarHBondContact CA-O 3.5Å; V216-V305 HydrophobicContact CG1-CB 4.37Å; V216-V305 HydrophobicContact CG2-CB 4.37Å; A217-V305 PolarHBondContact N-O 3.49Å; I303-V305 WeakPolarHBondContact CG2-O 3.43Å; V305-I333 WeakPolarHBondContact CA-O 3.3Å; V305-A423 HydrophobicContact CG1-CB 4.47Å; V305-V426 HydrophobicContact CG1-CG1 4.16Å; V305-V426 HydrophobicContact CG2-CG1 3.84Å; V305-V430 HydrophobicContact CG2-CG2 4.24Å
306	L	97.1	Very high	81.6	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	122.6	175.6	-174	150.6	0	0	0	110.1	A217 F219 F295 A298 L308 L327 V332 I333 M334 V335	A217-L306 HydrophobicContact CB-CD1 4.35Å; A217-L306 HydrophobicContact CB-CG 4.28Å; F219-L306 HydrophobicContact CD1-CD1 3.82Å; F219-L306 HydrophobicContact CD1-CG 4.1Å; F219-L306 HydrophobicContact CD2-CD1 4.5Å; F219-L306 HydrophobicContact CE1-CD1 3.35Å; F219-L306 HydrophobicContact CE1-CG 4.1Å; F219-L306 HydrophobicContact CE2-CD1 4.1Å; F219-L306 HydrophobicContact CG-CD1 4.38Å; F219-L306 HydrophobicContact CZ-CD1 3.51Å; F295-L306 HydrophobicContact CD1-CD1 4.15Å; F295-L306 HydrophobicContact CE1-CD1 4.07Å; F295-L306 HydrophobicContact CE1-CD2 4.41Å; A298-L306 HydrophobicContact CB-CD1 4.43Å; L306-L308 HydrophobicContact CD2-CB 3.95Å; L306-L327 HydrophobicContact CD1-CD2 3.97Å; L306-V332 HydrophobicContact CB-CG1 3.83Å; L306-I333 PolarHBondContact N-O 2.85Å; L306-M334 HydrophobicContact CD2-CE 4.15Å; L306-M334 HydrophobicContact CD2-CG 4.08Å; L306-M334 WeakPolarHBondContact O-CA 3.49Å; L306-V335 PolarHBondContact O-N 2.9Å
307	N	96.2	Very high	80.5	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	122.2	169.6	178.9	87.6	0	0	0	110.2	A217 F219 V255 I259 S309 S419 P420 A423	A217-N307 PolarHBondContact O-N 3.37Å; F219-N307 PolarHBondContact N-O 3.26Å; V255-N307 VanDerWaalsContact CG1-ND2 3.25Å; V255-N307 WeakPolarHBondContact CG1-ND2 3.43Å; I259-N307 HydrophobicContact CD1-CB 4.03Å; N307-S309 PolarHBondContact ND2-N 3.1Å; N307-S309 PolarHBondContact ND2-OG 2.93Å; N307-S419 PolarHBondContact OD1-OG 3.19Å; N307-P420 WeakPolarHBondContact OD1-CA 3.39Å; N307-A423 HydrophobicContact CB-CB 3.74Å
308	L	90.5	Very high	79.8	Confident	1 Å²	1	29 Å²	29	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	89	171.2	-169.7	74.2	0	0	0	109.1	F219 F291 L306 I310 F320 M334 V335 S336 P351	F219-L308 HydrophobicContact CB-CD1 3.57Å; F219-L308 HydrophobicContact CD2-CD1 4.32Å; F219-L308 HydrophobicContact CG-CD1 4.35Å; F291-L308 HydrophobicContact CE1-CD1 4.13Å; L306-L308 HydrophobicContact CD2-CB 3.95Å; L308-I310 HydrophobicContact CD1-CB 4.43Å; L308-I310 HydrophobicContact CD1-CD1 3.44Å; L308-I310 VanDerWaalsContact CD1-CD1 3.44Å; L308-I310 HydrophobicContact CG-CB 4.21Å; L308-I310 HydrophobicContact CG-CD1 4.04Å; L308-I310 PolarHBondContact O-N 3.04Å; L308-F320 HydrophobicContact CD2-CZ 3.93Å; L308-M334 HydrophobicContact CB-CE 3.68Å; L308-M334 HydrophobicContact CD2-CE 3.37Å; L308-M334 HydrophobicContact CG-CE 4.14Å; L308-V335 PolarHBondContact N-O 3.31Å; L308-S336 WeakPolarHBondContact O-CA 2.7Å; L308-S336 PolarHBondContact O-OG 3.13Å; L308-P351 HydrophobicContact CD2-CG 3.66Å
309	S	79.8	Confident	79.3	Confident	4 Å²	4	29.4 Å²	29.4	3%	0.028	15%	0.147	C	C	.	.			trans	-79.5	42.2	176.5	-70.5	0	0	0	0	112.1	N307 S416 P420	N307-S309 PolarHBondContact ND2-N 3.1Å; N307-S309 PolarHBondContact ND2-OG 2.93Å; S309-S416 WeakPolarHBondContact CB-O 3.48Å; S309-S416 PolarHBondContact OG-O 2.58Å; S309-P420 WeakPolarHBondContact OG-CD 3.31Å
310	I	69.9	Low	78.9	Confident	10 Å²	10	29.3 Å²	29.3	5%	0.051	15%	0.146	C	C	.	.			trans	-125.8	142.4	178.1	-63.1	120.9	0	0	0	107.5	F49 F219 F280 L308	F49-I310 HydrophobicContact CE2-CG2 4.24Å; F219-I310 VanDerWaalsContact O-CD1 3.25Å; F219-I310 WeakPolarHBondContact O-CD1 3.41Å; F280-I310 HydrophobicContact CD2-CD1 4.19Å; F280-I310 HydrophobicContact CD2-CG1 4.48Å; F280-I310 HydrophobicContact CE2-CD1 3.43Å; F280-I310 VanDerWaalsContact CE2-CD1 3.43Å; F280-I310 HydrophobicContact CE2-CG1 3.58Å; F280-I310 HydrophobicContact CE2-CG2 4.35Å; F280-I310 HydrophobicContact CZ-CD1 4.33Å; F280-I310 HydrophobicContact CZ-CG1 4.08Å; F280-I310 HydrophobicContact CZ-CG2 4.04Å; L308-I310 HydrophobicContact CD1-CB 4.43Å; L308-I310 HydrophobicContact CD1-CD1 3.44Å; L308-I310 VanDerWaalsContact CD1-CD1 3.44Å; L308-I310 HydrophobicContact CG-CB 4.21Å; L308-I310 HydrophobicContact CG-CD1 4.04Å; L308-I310 PolarHBondContact O-N 3.04Å
311	G	63	Low	78.6	Confident	10 Å²	10	26.1 Å²	26.1	10%	0.103	13%	0.129	C	C	.	.			trans	-148.8	144.9	171.2	0	0	0	0	0	110.5	F49 N350	F49-G311 WeakPolarHBondContact CD2-O 3.39Å; G311-N350 WeakPolarHBondContact CA-O 3.4Å
312	G	60.8	Low	78.4	Confident	3 Å²	3	24.4 Å²	24.4	3%	0.031	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-151.3	163.3	167.6	0	0	0	0	0	109.7	D314 N350	G312-D314 PolarHBondContact O-N 2.96Å; G312-N350 PolarHBondContact N-O 3.04Å; G312-N350 WeakPolarHBondContact O-CB 2.97Å; G312-N350 PolarHBondContact O-N 3.05Å
313	P	48	Very low	78.3	Confident	38 Å²	38	17.4 Å²	17.4	25%	0.247	9%	0.093	C	C	.	.	S	Bend	trans	-71.6	1.1	-175.1	28.2	-35.2	0	0	0	114.3	F315	P313-F315 VanDerWaalsContact O-CD1 3.31Å; P313-F315 WeakPolarHBondContact O-CD1 3.42Å; P313-F315 PolarHBondContact O-N 3.1Å
314	D	58.5	Low	78.1	Confident	19 Å²	19	17.3 Å²	17.3	10%	0.102	9%	0.093	C	C	.	.			trans	-88.8	62.3	-164.1	-162.9	8.6	0	0	0	113.5	F49 S51 R132 G312 M316 D317	F49-D314 HydrophobicContact CE1-CB 4.37Å; S51-D314 WeakPolarHBondContact CB-OD2 3.46Å; S51-D314 PolarHBondContact OG-OD2 3.41Å; R132-D314 IonicContact CZ-OD1 3.85Å; R132-D314 IonicContact CZ-OD2 3.56Å; R132-D314 IonicContact NE-OD2 2.78Å; R132-D314 PolarHBondContact NE-OD2 2.94Å; R132-D314 IonicContact NH1-OD1 2.94Å; R132-D314 PolarHBondContact NH1-OD1 3.44Å; R132-D314 IonicContact NH1-OD2 3.23Å; R132-D314 PolarHBondContact NH1-OD2 3.31Å; R132-D314 IonicContact NH2-OD1 3.89Å; R132-D314 PolarHBondContact NH2-OD1 2.62Å; R132-D314 IonicContact NH2-OD2 2.64Å; R132-D314 PolarHBondContact NH2-OD2 2.9Å; G312-D314 PolarHBondContact O-N 2.96Å; D314-M316 PolarHBondContact O-N 3.06Å; D314-M316 VanDerWaalsContact O-N 3.14Å; D314-D317 PolarHBondContact O-N 2.67Å
315	F	53.4	Low	78	Confident	19 Å²	19	19.4 Å²	19.4	8%	0.083	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-6.2	168.9	60	-102.8	0	0	0	113.2	P313 V321 N350 W380 Y635 P636	P313-F315 VanDerWaalsContact O-CD1 3.31Å; P313-F315 WeakPolarHBondContact O-CD1 3.42Å; P313-F315 PolarHBondContact O-N 3.1Å; F315-V321 WeakPolarHBondContact O-CG2 3.41Å; F315-N350 HydrophobicContact CB-CB 4.14Å; F315-W380 HydrophobicContact CE2-CB 4.39Å; F315-W380 HydrophobicContact CZ-CB 4.2Å; F315-Y635 WeakPolarHBondContact CZ-O 3.49Å; F315-P636 HydrophobicContact CE1-CG 4.24Å; F315-P636 HydrophobicContact CZ-CG 4.23Å
316	M	54.4	Low	77.8	Confident	51 Å²	51	21.7 Å²	21.7	25%	0.251	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-7.4	177.6	-67	-54.9	-162.2	0	0	113.6	D314 H318 P636 P637	D314-M316 PolarHBondContact O-N 3.06Å; D314-M316 VanDerWaalsContact O-N 3.14Å; M316-H318 PolarHBondContact O-N 3.16Å; M316-P636 WeakPolarHBondContact CE-O 3.47Å; M316-P636 WeakPolarHBondContact CG-O 3.03Å; M316-P637 HydrophobicContact CE-CB 4.1Å
317	D	70.3	Confident	77.7	Confident	10 Å²	10	21.7 Å²	21.7	5%	0.053	11%	0.109	C	C	.	.			trans	-71.7	74.7	166.5	-168.5	4.5	0	0	0	109.8	T288 D314 P319 F320 V321	T288-D317 WeakPolarHBondContact CB-OD2 3.35Å; T288-D317 WeakPolarHBondContact CG2-OD1 3.35Å; T288-D317 WeakPolarHBondContact CG2-OD2 3.31Å; T288-D317 PolarHBondContact OG1-OD2 2.89Å; D314-D317 PolarHBondContact O-N 2.67Å; D317-P319 VanDerWaalsContact C-CD 3.45Å; D317-P319 VanDerWaalsContact C-N 3.32Å; D317-P319 WeakPolarHBondContact OD1-CD 3.46Å; D317-F320 HydrophobicContact CB-CB 4Å; D317-F320 WeakPolarHBondContact O-CA 3.42Å; D317-F320 VanDerWaalsContact O-CB 3.32Å; D317-F320 WeakPolarHBondContact O-CB 2.97Å; D317-F320 PolarHBondContact O-N 3.02Å; D317-V321 PolarHBondContact O-N 2.92Å
318	H	78.1	Confident	77.6	Confident	89 Å²	89	21.7 Å²	21.7	41%	0.412	11%	0.109	S	C	.	.	H	α-helix	trans	-54.5	-39.1	-175	-63.7	167.3	0	0	0	113.6	R127 M316 F320 V321 D322	R127-H318 VanDerWaalsContact NH1-CB 3.26Å; R127-H318 VanDerWaalsContact NH2-CB 3.27Å; R127-H318 PolarHBondContact NH2-O 3.03Å; M316-H318 PolarHBondContact O-N 3.16Å; H318-F320 VanDerWaalsContact C-N 3.27Å; H318-F320 PolarHBondContact O-N 3.48Å; H318-V321 PolarHBondContact O-N 2.87Å; H318-D322 VanDerWaalsContact O-CB 3.24Å; H318-D322 WeakPolarHBondContact O-CB 3.14Å; H318-D322 PolarHBondContact O-N 2.99Å
319	P	84.7	Confident	77.8	Confident	9 Å²	9	22.6 Å²	22.6	6%	0.058	12%	0.117	C	C	.	.	H	α-helix	trans	-54.4	-43.2	171.7	-25.4	31.6	0	0	0	112.9	R127 T129 T288 L292 D317 K323	R127-P319 VanDerWaalsContact NH2-N 3.18Å; T129-P319 HydrophobicContact CG2-CG 3.99Å; T129-P319 WeakPolarHBondContact OG1-CG 3.38Å; T288-P319 HydrophobicContact CG2-CB 4.22Å; L292-P319 HydrophobicContact CD1-CB 4.02Å; L292-P319 HydrophobicContact CD2-CB 4.3Å; L292-P319 VanDerWaalsContact CD2-O 3.28Å; L292-P319 WeakPolarHBondContact CD2-O 3.34Å; D317-P319 VanDerWaalsContact C-CD 3.45Å; D317-P319 VanDerWaalsContact C-N 3.32Å; D317-P319 WeakPolarHBondContact OD1-CD 3.46Å; P319-K323 VanDerWaalsContact O-CB 3.28Å; P319-K323 WeakPolarHBondContact O-CB 3.4Å; P319-K323 PolarHBondContact O-N 3.43Å; P319-K323 VanDerWaalsContact O-N 3.13Å
320	F	85.6	Confident	78.5	Confident	21 Å²	21	26.3 Å²	26.3	9%	0.092	14%	0.137	C	C	.	.	H	α-helix	trans	-66.8	-47.9	178.3	-180	-95.1	0	0	0	111.8	T288 F291 F295 L308 D317 H318 K323 V324 N350 P351	T288-F320 HydrophobicContact CG2-CB 4.38Å; F291-F320 HydrophobicContact CB-CD2 4.01Å; F291-F320 HydrophobicContact CB-CE2 4.06Å; F291-F320 HydrophobicContact CD1-CE2 4.05Å; F291-F320 HydrophobicContact CD2-CE2 4.41Å; F291-F320 HydrophobicContact CG-CD2 4.25Å; F291-F320 AromaticContact CG-CE2 3.94Å; F291-F320 HydrophobicContact CG-CE2 3.94Å; F295-F320 AromaticContact CE2-CD2 3.9Å; F295-F320 HydrophobicContact CE2-CD2 3.9Å; F295-F320 AromaticContact CE2-CE2 3.57Å; F295-F320 HydrophobicContact CE2-CE2 3.57Å; F295-F320 HydrophobicContact CE2-CZ 4.3Å; F295-F320 AromaticContact CZ-CE2 3.87Å; F295-F320 HydrophobicContact CZ-CE2 3.87Å; F295-F320 HydrophobicContact CZ-CZ 4.28Å; L308-F320 HydrophobicContact CD2-CZ 3.93Å; D317-F320 HydrophobicContact CB-CB 4Å; D317-F320 WeakPolarHBondContact O-CA 3.42Å; D317-F320 VanDerWaalsContact O-CB 3.32Å; D317-F320 WeakPolarHBondContact O-CB 2.97Å; D317-F320 PolarHBondContact O-N 3.02Å; H318-F320 VanDerWaalsContact C-N 3.27Å; H318-F320 PolarHBondContact O-N 3.48Å; F320-K323 PolarHBondContact O-N 3.28Å; F320-V324 HydrophobicContact CD1-CG2 4.28Å; F320-V324 HydrophobicContact CE1-CG2 3.96Å; F320-V324 HydrophobicContact CZ-CG2 4.21Å; F320-V324 WeakPolarHBondContact O-CG2 3.44Å; F320-V324 PolarHBondContact O-N 2.93Å; F320-N350 WeakPolarHBondContact CE1-OD1 3.03Å; F320-P351 HydrophobicContact CE1-CB 4.04Å; F320-P351 HydrophobicContact CE1-CG 4.03Å; F320-P351 HydrophobicContact CZ-CG 4.21Å
321	V	85.8	Confident	79.6	Confident	9 Å²	9	29.1 Å²	29.1	6%	0.055	15%	0.152	C	C	.	.	H	α-helix	trans	-64.8	-45	-180	177.3	0	0	0	0	111.9	F315 D317 H318 K323 V324 W325	F315-V321 WeakPolarHBondContact O-CG2 3.41Å; D317-V321 PolarHBondContact O-N 2.92Å; H318-V321 PolarHBondContact O-N 2.87Å; V321-K323 PolarHBondContact O-N 2.89Å; V321-V324 WeakPolarHBondContact O-CB 3.23Å; V321-V324 PolarHBondContact O-N 2.84Å; V321-V324 VanDerWaalsContact O-N 3.12Å; V321-W325 HydrophobicContact CG1-CD2 4.15Å; V321-W325 HydrophobicContact CG1-CE3 4.49Å; V321-W325 HydrophobicContact CG1-CH2 4.15Å; V321-W325 HydrophobicContact CG1-CZ2 3.71Å; V321-W325 PolarHBondContact O-N 2.85Å
322	D	88.2	Confident	81.2	Confident	36 Å²	36	28.7 Å²	28.7	19%	0.193	15%	0.147	C	C	.	.	H	α-helix	trans	-57	-41.4	175.5	-75.2	-16.3	0	0	0	110.7	K126 R127 H318 W325 E326	K126-D322 IonicContact NZ-OD2 2.81Å; K126-D322 PolarHBondContact NZ-OD2 2.52Å; R127-D322 IonicContact CZ-OD2 3.84Å; R127-D322 IonicContact NH1-OD2 3.54Å; R127-D322 PolarHBondContact NH1-OD2 2.99Å; R127-D322 IonicContact NH2-OD2 3.8Å; R127-D322 PolarHBondContact NH2-OD2 3.28Å; H318-D322 VanDerWaalsContact O-CB 3.24Å; H318-D322 WeakPolarHBondContact O-CB 3.14Å; H318-D322 PolarHBondContact O-N 2.99Å; D322-W325 PolarHBondContact O-N 2.84Å; D322-E326 PolarHBondContact O-N 2.96Å
323	K	91.3	Very high	82.9	Confident	3 Å²	3	28.8 Å²	28.8	1%	0.013	15%	0.146	C	C	.	.	H	α-helix	trans	-70.3	-34	178.6	-169.4	59.8	56.7	178.4	0	112.7	Y65 D102 L292 F295 N296 P319 F320 V321 E326 L327	Y65-K323 PolarHBondContact OH-NZ 3.07Å; D102-K323 IonicContact OD1-NZ 3.43Å; D102-K323 PolarHBondContact OD1-NZ 3.38Å; D102-K323 IonicContact OD2-NZ 2.74Å; D102-K323 PolarHBondContact OD2-NZ 3.33Å; L292-K323 HydrophobicContact CD2-CB 3.57Å; L292-K323 HydrophobicContact CD2-CG 3.85Å; F295-K323 HydrophobicContact CB-CD 3.99Å; F295-K323 HydrophobicContact CB-CG 3.52Å; F295-K323 HydrophobicContact CD2-CB 4.2Å; F295-K323 HydrophobicContact CD2-CG 3.52Å; F295-K323 HydrophobicContact CG-CG 3.9Å; N296-K323 PolarHBondContact OD1-NZ 3.01Å; P319-K323 VanDerWaalsContact O-CB 3.28Å; P319-K323 WeakPolarHBondContact O-CB 3.4Å; P319-K323 PolarHBondContact O-N 3.43Å; P319-K323 VanDerWaalsContact O-N 3.13Å; F320-K323 PolarHBondContact O-N 3.28Å; V321-K323 PolarHBondContact O-N 2.89Å; K323-E326 WeakPolarHBondContact CD-OE2 3.3Å; K323-E326 VanDerWaalsContact CE-OE2 3.3Å; K323-E326 WeakPolarHBondContact CE-OE2 3.23Å; K323-E326 IonicContact NZ-OE2 3.61Å; K323-E326 PolarHBondContact NZ-OE2 3.34Å; K323-E326 PolarHBondContact O-N 2.95Å; K323-L327 WeakPolarHBondContact O-CB 3.29Å; K323-L327 PolarHBondContact O-N 3.42Å
324	V	92.1	Very high	85.2	Confident	1 Å²	1	27 Å²	27	1%	0.006	14%	0.135	C	C	.	.	H	α-helix	trans	-62.2	-44.9	171.7	166.5	0	0	0	0	110.4	F295 F320 V321 L327 T328 M334 P351 V357	F295-V324 HydrophobicContact CE2-CG2 4.39Å; F295-V324 HydrophobicContact CZ-CG2 4.37Å; F320-V324 HydrophobicContact CD1-CG2 4.28Å; F320-V324 HydrophobicContact CE1-CG2 3.96Å; F320-V324 HydrophobicContact CZ-CG2 4.21Å; F320-V324 WeakPolarHBondContact O-CG2 3.44Å; F320-V324 PolarHBondContact O-N 2.93Å; V321-V324 WeakPolarHBondContact O-CB 3.23Å; V321-V324 PolarHBondContact O-N 2.84Å; V321-V324 VanDerWaalsContact O-N 3.12Å; V324-L327 WeakPolarHBondContact O-CB 3.33Å; V324-L327 PolarHBondContact O-N 3.23Å; V324-T328 WeakPolarHBondContact O-CG2 3.48Å; V324-T328 PolarHBondContact O-N 3Å; V324-T328 PolarHBondContact O-OG1 2.61Å; V324-M334 HydrophobicContact CG1-SD 3.79Å; V324-M334 HydrophobicContact CG2-CE 4.22Å; V324-M334 HydrophobicContact CG2-SD 4.18Å; V324-P351 HydrophobicContact CG1-CB 4.4Å; V324-P351 HydrophobicContact CG2-CB 4.22Å; V324-V357 HydrophobicContact CG1-CG2 3.66Å
325	W	92.6	Very high	87.1	Confident	74 Å²	74	26.1 Å²	26.1	28%	0.28	13%	0.13	S	C	.	.	H	α-helix	trans	-62.7	-45.7	176.2	-64.5	-25	0	0	0	111.9	V321 D322 L327 T328 A329 W558 P559	V321-W325 HydrophobicContact CG1-CD2 4.15Å; V321-W325 HydrophobicContact CG1-CE3 4.49Å; V321-W325 HydrophobicContact CG1-CH2 4.15Å; V321-W325 HydrophobicContact CG1-CZ2 3.71Å; V321-W325 PolarHBondContact O-N 2.85Å; D322-W325 PolarHBondContact O-N 2.84Å; W325-L327 PolarHBondContact O-N 3.33Å; W325-T328 PolarHBondContact O-N 2.75Å; W325-T328 PolarHBondContact O-OG1 3.26Å; W325-A329 WeakPolarHBondContact O-CB 3.26Å; W325-A329 PolarHBondContact O-N 3.25Å; W325-W558 HydrophobicContact CB-CH2 3.35Å; W325-W558 HydrophobicContact CB-CZ2 4.23Å; W325-W558 HydrophobicContact CB-CZ3 3.69Å; W325-W558 HydrophobicContact CD2-CH2 4.05Å; W325-W558 AromaticContact CD2-CZ3 3.65Å; W325-W558 HydrophobicContact CD2-CZ3 3.65Å; W325-W558 AromaticContact CE3-CH2 3.71Å; W325-W558 HydrophobicContact CE3-CH2 3.71Å; W325-W558 AromaticContact CE3-CZ3 3.37Å; W325-W558 HydrophobicContact CE3-CZ3 3.37Å; W325-W558 AromaticContact CG-CH2 4Å; W325-W558 HydrophobicContact CG-CH2 4Å; W325-W558 AromaticContact CG-CZ3 3.85Å; W325-W558 HydrophobicContact CG-CZ3 3.85Å; W325-W558 HydrophobicContact CZ3-CZ3 4.11Å; W325-P559 HydrophobicContact CB-CG 3.82Å; W325-P559 HydrophobicContact CG-CG 4.4Å; W325-P559 WeakPolarHBondContact O-CG 3.5Å
326	E	93.6	Very high	89.1	Confident	48 Å²	48	25.2 Å²	25.2	22%	0.224	13%	0.126	C	C	.	.	H	α-helix	trans	-61.3	-41.8	175.2	-180	175.9	-159.3	0	0	113.1	Y65 I299 D322 K323 T328 A329 N330	Y65-E326 WeakPolarHBondContact CE2-OE1 3.45Å; Y65-E326 PolarHBondContact OH-OE1 3.25Å; I299-E326 HydrophobicContact CD1-CG 4.19Å; D322-E326 PolarHBondContact O-N 2.96Å; K323-E326 WeakPolarHBondContact CD-OE2 3.3Å; K323-E326 VanDerWaalsContact CE-OE2 3.3Å; K323-E326 WeakPolarHBondContact CE-OE2 3.23Å; K323-E326 IonicContact NZ-OE2 3.61Å; K323-E326 PolarHBondContact NZ-OE2 3.34Å; K323-E326 PolarHBondContact O-N 2.95Å; E326-T328 VanDerWaalsContact C-N 3.34Å; E326-T328 PolarHBondContact O-N 3.37Å; E326-A329 WeakPolarHBondContact O-CB 3.34Å; E326-A329 PolarHBondContact O-N 2.84Å; E326-N330 PolarHBondContact O-N 3.36Å; E326-N330 PolarHBondContact O-ND2 2.93Å
327	L	94.6	Very high	90.9	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-57.7	-48.8	175.9	178.4	79	0	0	0	110.3	F295 A298 I299 L306 K323 V324 W325 N330 V332 M334	F295-L327 HydrophobicContact CD1-CD1 4.2Å; F295-L327 HydrophobicContact CD1-CD2 3.79Å; F295-L327 HydrophobicContact CD1-CG 4.48Å; F295-L327 HydrophobicContact CE1-CD2 3.9Å; A298-L327 HydrophobicContact CB-CD1 4.26Å; I299-L327 HydrophobicContact CD1-CD1 4.36Å; I299-L327 HydrophobicContact CG1-CD1 3.77Å; L306-L327 HydrophobicContact CD1-CD2 3.97Å; K323-L327 WeakPolarHBondContact O-CB 3.29Å; K323-L327 PolarHBondContact O-N 3.42Å; V324-L327 WeakPolarHBondContact O-CB 3.33Å; V324-L327 PolarHBondContact O-N 3.23Å; W325-L327 PolarHBondContact O-N 3.33Å; L327-N330 PolarHBondContact O-N 2.8Å; L327-V332 HydrophobicContact CD1-CB 4.03Å; L327-V332 HydrophobicContact CD1-CG1 4.1Å; L327-V332 HydrophobicContact CD1-CG2 3.79Å; L327-V332 HydrophobicContact CD2-CG1 4.37Å; L327-V332 HydrophobicContact CG-CB 3.89Å; L327-V332 HydrophobicContact CG-CG1 4.1Å; L327-V332 HydrophobicContact CG-CG2 4.14Å; L327-V332 WeakPolarHBondContact O-CB 3.21Å; L327-V332 WeakPolarHBondContact O-CG2 3.43Å; L327-V332 PolarHBondContact O-N 3.35Å; L327-M334 HydrophobicContact CD2-SD 4Å
328	T	95.2	Very high	91.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-66.9	-35.7	176.8	62.9	0	0	0	0	112.2	V324 W325 E326 N330 N331 M334 D356 W560	V324-T328 WeakPolarHBondContact O-CG2 3.48Å; V324-T328 PolarHBondContact O-N 3Å; V324-T328 PolarHBondContact O-OG1 2.61Å; W325-T328 PolarHBondContact O-N 2.75Å; W325-T328 PolarHBondContact O-OG1 3.26Å; E326-T328 VanDerWaalsContact C-N 3.34Å; E326-T328 PolarHBondContact O-N 3.37Å; T328-N330 PolarHBondContact O-N 3.33Å; T328-N331 PolarHBondContact O-N 2.69Å; T328-M334 HydrophobicContact CG2-CB 4.24Å; T328-D356 HydrophobicContact CG2-CB 4.38Å; T328-W560 PolarHBondContact O-NE1 3.25Å
329	A	94.6	Very high	92.4	Very high	21 Å²	21	18.4 Å²	18.4	17%	0.174	10%	0.096	C	C	.	.	H	α-helix	trans	-60.3	-28.7	174.7	0	0	0	0	0	112.5	W325 E326 N331 V526 P559	W325-A329 WeakPolarHBondContact O-CB 3.26Å; W325-A329 PolarHBondContact O-N 3.25Å; E326-A329 WeakPolarHBondContact O-CB 3.34Å; E326-A329 PolarHBondContact O-N 2.84Å; A329-N331 PolarHBondContact O-N 2.78Å; A329-V526 HydrophobicContact CB-CG1 3.72Å; A329-P559 HydrophobicContact CB-CB 3.99Å; A329-P559 HydrophobicContact CB-CG 4.49Å
330	N	94.1	Very high	92.6	Very high	82 Å²	82	19.1 Å²	19.1	44%	0.439	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	26.8	174	-76.2	-84.8	0	0	0	113.4	I299 E326 L327 T328 V332	I299-N330 HydrophobicContact CG1-CB 4.22Å; I299-N330 HydrophobicContact CG2-CB 3.91Å; E326-N330 PolarHBondContact O-N 3.36Å; E326-N330 PolarHBondContact O-ND2 2.93Å; L327-N330 PolarHBondContact O-N 2.8Å; T328-N330 PolarHBondContact O-N 3.33Å; N330-V332 VanDerWaalsContact C-N 3.25Å; N330-V332 PolarHBondContact O-N 3Å
331	N	93.5	Very high	92.5	Very high	69 Å²	69	21.7 Å²	21.7	37%	0.369	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	17.9	177.5	-76.3	-41.3	0	0	0	116.1	T328 A329 N440 W560	T328-N331 PolarHBondContact O-N 2.69Å; A329-N331 PolarHBondContact O-N 2.78Å; N331-N440 WeakPolarHBondContact OD1-CB 3.42Å; N331-W560 WeakPolarHBondContact OD1-CH2 3.49Å; N331-W560 WeakPolarHBondContact OD1-CZ2 3.24Å
332	V	95.8	Very high	92.6	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.119	C	C	.	.			trans	-83.4	121.2	174.7	-172.9	0	0	0	0	110	I303 L306 L327 N330 M334 P441	I303-V332 HydrophobicContact CG2-CG1 4.34Å; I303-V332 WeakPolarHBondContact O-CG2 3.43Å; L306-V332 HydrophobicContact CB-CG1 3.83Å; L327-V332 HydrophobicContact CD1-CB 4.03Å; L327-V332 HydrophobicContact CD1-CG1 4.1Å; L327-V332 HydrophobicContact CD1-CG2 3.79Å; L327-V332 HydrophobicContact CD2-CG1 4.37Å; L327-V332 HydrophobicContact CG-CB 3.89Å; L327-V332 HydrophobicContact CG-CG1 4.1Å; L327-V332 HydrophobicContact CG-CG2 4.14Å; L327-V332 WeakPolarHBondContact O-CB 3.21Å; L327-V332 WeakPolarHBondContact O-CG2 3.43Å; L327-V332 PolarHBondContact O-N 3.35Å; N330-V332 VanDerWaalsContact C-N 3.25Å; N330-V332 PolarHBondContact O-N 3Å; V332-M334 PolarHBondContact O-N 3.08Å; V332-P441 WeakPolarHBondContact O-CG 3.39Å
333	I	97.2	Very high	92.6	Very high	5 Å²	5	23 Å²	23	3%	0.026	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	107.4	177.9	-54.6	170.5	0	0	0	109.2	D304 V305 L306 I358 V426 V430 V439 P441 M444	D304-I333 PolarHBondContact O-N 3.21Å; V305-I333 WeakPolarHBondContact CA-O 3.3Å; L306-I333 PolarHBondContact N-O 2.85Å; I333-I358 HydrophobicContact CG2-CD1 3.66Å; I333-V426 HydrophobicContact CD1-CG1 4.2Å; I333-V426 HydrophobicContact CG2-CG1 3.99Å; I333-V430 HydrophobicContact CD1-CG2 3.96Å; I333-V439 HydrophobicContact CD1-CG1 4.05Å; I333-P441 HydrophobicContact CG1-CG 4.39Å; I333-M444 HydrophobicContact CD1-CB 3.92Å; I333-M444 HydrophobicContact CD1-CE 4.33Å; I333-M444 HydrophobicContact CD1-CG 4.12Å; I333-M444 HydrophobicContact CG2-CB 4.44Å; I333-M444 HydrophobicContact CG2-CG 4.21Å
334	M	96.4	Very high	92.4	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	128.2	-179.1	-169.5	172.2	-176.9	0	0	112.1	F295 L306 L308 V324 L327 T328 V332 P351 V357 I358	F295-M334 HydrophobicContact CZ-CE 4.45Å; L306-M334 HydrophobicContact CD2-CE 4.15Å; L306-M334 HydrophobicContact CD2-CG 4.08Å; L306-M334 WeakPolarHBondContact O-CA 3.49Å; L308-M334 HydrophobicContact CB-CE 3.68Å; L308-M334 HydrophobicContact CD2-CE 3.37Å; L308-M334 HydrophobicContact CG-CE 4.14Å; V324-M334 HydrophobicContact CG1-SD 3.79Å; V324-M334 HydrophobicContact CG2-CE 4.22Å; V324-M334 HydrophobicContact CG2-SD 4.18Å; L327-M334 HydrophobicContact CD2-SD 4Å; T328-M334 HydrophobicContact CG2-CB 4.24Å; V332-M334 PolarHBondContact O-N 3.08Å; M334-P351 HydrophobicContact CE-CB 4.42Å; M334-P351 HydrophobicContact CE-CG 3.58Å; M334-V357 HydrophobicContact CB-CG1 4.49Å; M334-V357 HydrophobicContact CB-CG2 4.41Å; M334-V357 HydrophobicContact CG-CG1 4.17Å; M334-V357 HydrophobicContact CG-CG2 4.33Å; M334-V357 HydrophobicContact SD-CG2 3.96Å; M334-I358 PolarHBondContact O-N 3.05Å
335	V	97.5	Very high	92.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	129.7	175.4	-172.4	0	0	0	0	109.1	L306 L308 I358 V360 V422 A423	L306-V335 PolarHBondContact O-N 2.9Å; L308-V335 PolarHBondContact N-O 3.31Å; V335-I358 HydrophobicContact CG2-CB 4.35Å; V335-I358 HydrophobicContact CG2-CD1 4.3Å; V335-V360 HydrophobicContact CG1-CG2 3.74Å; V335-V422 HydrophobicContact CG1-CB 3.98Å; V335-V422 HydrophobicContact CG1-CG1 3.96Å; V335-A423 HydrophobicContact CB-CB 4.15Å; V335-A423 HydrophobicContact CG1-CB 4.39Å; V335-A423 HydrophobicContact CG2-CB 4.23Å
336	S	94.9	Very high	91.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	153.9	-177.5	-172.9	0	0	0	0	112.5	L308 I358 V360	L308-S336 WeakPolarHBondContact O-CA 2.7Å; L308-S336 PolarHBondContact O-OG 3.13Å; S336-I358 PolarHBondContact N-O 3.19Å; S336-V360 PolarHBondContact O-N 3.21Å
337	A	92.5	Very high	91.6	Very high	4 Å²	4	20.5 Å²	20.5	3%	0.033	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	134	178	0	0	0	0	0	111.6	G339 A352 T415	A337-G339 PolarHBondContact O-N 2.87Å; A337-A352 WeakPolarHBondContact O-CB 3.16Å; A337-T415 VanDerWaalsContact CB-C 3.41Å; A337-T415 WeakPolarHBondContact CB-O 3.33Å
338	I	91.3	Very high	91.2	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.125	C	C	.	.			trans	-69.7	-17.7	-174.7	-157.2	65.5	0	0	0	115	L348 N349 A352 V360 K390 P391 T415	I338-L348 HydrophobicContact CD1-CD2 3.78Å; I338-L348 HydrophobicContact CG1-CD2 3.48Å; I338-L348 VanDerWaalsContact CG1-CD2 3.48Å; I338-N349 PolarHBondContact O-N 2.72Å; I338-A352 HydrophobicContact CD1-CB 3.93Å; I338-V360 WeakPolarHBondContact CB-O 3.27Å; I338-V360 WeakPolarHBondContact CG2-O 3.49Å; I338-V360 PolarHBondContact N-O 2.97Å; I338-K390 HydrophobicContact CD1-CB 4.25Å; I338-K390 HydrophobicContact CD1-CD 4.41Å; I338-P391 HydrophobicContact CB-CB 4.26Å; I338-P391 HydrophobicContact CD1-CB 4.1Å; I338-P391 HydrophobicContact CG1-CB 3.9Å; I338-T415 HydrophobicContact CG2-CG2 3.98Å
339	G	89.3	Confident	90.6	Very high	4 Å²	4	21.8 Å²	21.8	4%	0.041	13%	0.129	C	C	.	.			trans	121.5	163.8	-175.2	0	0	0	0	0	113.2	A337 N349 S374 T415	A337-G339 PolarHBondContact O-N 2.87Å; G339-N349 VanDerWaalsContact CA-ND2 3.31Å; G339-N349 WeakPolarHBondContact CA-ND2 2.76Å; G339-S374 VanDerWaalsContact CA-OG 3.28Å; G339-S374 WeakPolarHBondContact CA-OG 3.42Å; G339-S374 PolarHBondContact O-N 3.38Å; G339-S374 PolarHBondContact O-OG 3.01Å; G339-T415 VanDerWaalsContact C-OG1 3.23Å; G339-T415 PolarHBondContact N-OG1 2.94Å; G339-T415 WeakPolarHBondContact O-CB 3.49Å; G339-T415 WeakPolarHBondContact O-CG2 3.44Å; G339-T415 PolarHBondContact O-OG1 3.17Å
340	N	88.6	Confident	90	Very high	24 Å²	24	21.2 Å²	21.2	13%	0.128	12%	0.123	C	C	.	.	S	Bend	trans	-119.6	20.3	-177.2	-71.7	-39.9	0	0	0	112.2	F372 S374 T415	N340-F372 CarbonylContact C-O 3.45Å; N340-F372 WeakPolarHBondContact CA-O 3.45Å; N340-F372 VanDerWaalsContact OD1-CD2 3.3Å; N340-F372 WeakPolarHBondContact OD1-CD2 3.45Å; N340-S374 PolarHBondContact N-OG 3.02Å; N340-T415 PolarHBondContact OD1-N 2.8Å; N340-T415 PolarHBondContact OD1-OG1 2.98Å
341	D	84.1	Confident	89.8	Confident	74 Å²	74	17.4 Å²	17.4	40%	0.396	10%	0.103	S	C	.	.			trans	-100.7	11.4	-169.1	-53.5	-65.4	0	0	0	111.7	T347 N349 F372 S374	D341-T347 HydrophobicContact CB-CG2 4.43Å; D341-T347 WeakPolarHBondContact O-CG2 3.29Å; D341-N349 PolarHBondContact OD2-ND2 3.13Å; D341-F372 PolarHBondContact N-O 2.76Å; D341-S374 PolarHBondContact N-OG 2.92Å; D341-S374 VanDerWaalsContact N-OG 3.11Å
342	G	86.6	Confident	89.7	Confident	16 Å²	16	14.1 Å²	14.1	17%	0.165	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	161.9	168.8	0	0	0	0	0	112.5	R371 F372	G342-R371 CarbonylContact C-O 3.55Å; G342-F372 PolarHBondContact N-O 2.83Å; G342-F372 VanDerWaalsContact N-O 3.12Å
343	P	89.1	Confident	89.4	Confident	57 Å²	57	14.2 Å²	14.2	37%	0.37	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	cis	-96.3	10	17.4	36.9	-36.6	0	0	0	115.1	R371 R375	P343-R371 HydrophobicContact CB-CG 4.32Å; P343-R371 HydrophobicContact CG-CG 4.25Å; P343-R375 VanDerWaalsContact CB-CZ 3.44Å; P343-R375 VanDerWaalsContact O-CD 3.23Å; P343-R375 WeakPolarHBondContact O-CD 3.45Å; P343-R375 VanDerWaalsContact O-CZ 3.26Å; P343-R375 PolarHBondContact O-NE 3.09Å; P343-R375 PolarHBondContact O-NH1 2.68Å
344	L	86.9	Confident	89.1	Confident	50 Å²	50	15 Å²	15	26%	0.262	9%	0.089	S	C	.	.	S	Bend	trans	-70	152.6	178.1	-62	173	0	0	0	111	T347 D854	L344-T347 HydrophobicContact CB-CG2 3.75Å; L344-T347 WeakPolarHBondContact O-CG2 3.43Å; L344-T347 PolarHBondContact O-OG1 2.6Å; L344-D854 HydrophobicContact CD2-CB 4.35Å
345	Y	88.8	Confident	88.9	Confident	5 Å²	5	15.3 Å²	15.3	2%	0.02	9%	0.09	C	C	.	.	B	Isolated β-bridge	trans	-85.5	151.8	176.2	-77.9	-111	0	0	0	109.7	R375 G376 N459 F461 E462 W500 R664	Y345-R375 HydrophobicContact CD1-CB 4.35Å; Y345-R375 HydrophobicContact CG-CB 4.34Å; Y345-G376 WeakPolarHBondContact CD1-O 2.8Å; Y345-N459 PolarHBondContact OH-ND2 3Å; Y345-F461 HydrophobicContact CE1-CB 4.32Å; Y345-E462 HydrophobicContact CE1-CG 4.38Å; Y345-E462 VanDerWaalsContact OH-CG 3.3Å; Y345-E462 WeakPolarHBondContact OH-CG 3.45Å; Y345-E462 PolarHBondContact OH-OE1 3.07Å; Y345-W500 HydrophobicContact CD1-CH2 4.23Å; Y345-W500 AromaticContact CD1-CZ3 3.67Å; Y345-W500 HydrophobicContact CD1-CZ3 3.67Å; Y345-W500 HydrophobicContact CE1-CE3 4.01Å; Y345-W500 HydrophobicContact CE1-CH2 4.18Å; Y345-W500 AromaticContact CE1-CZ3 3.39Å; Y345-W500 HydrophobicContact CE1-CZ3 3.39Å; Y345-R664 VanDerWaalsContact CZ-CZ 3.46Å; Y345-R664 PolarHBondContact OH-NH2 3.11Å; Y345-R664 VanDerWaalsContact OH-NH2 3.13Å
346	G	86.2	Confident	88.7	Confident	5 Å²	5	15.9 Å²	15.9	5%	0.052	9%	0.094	C	C	.	.	S	Bend	trans	77.6	23.4	-175.4	0	0	0	0	0	113.9	R375 G376 T379	G346-R375 PolarHBondContact N-O 3.29Å; G346-G376 PolarHBondContact N-O 2.87Å; G346-T379 VanDerWaalsContact CA-CG2 3.48Å; G346-T379 WeakPolarHBondContact O-CG2 3.12Å
347	T	85.9	Confident	88.7	Confident	14 Å²	14	15.9 Å²	15.9	9%	0.086	9%	0.094	C	C	.	.			trans	-103.4	24.1	-172.2	51.4	0	0	0	0	113.5	D341 L344 S374 R375	D341-T347 HydrophobicContact CB-CG2 4.43Å; D341-T347 WeakPolarHBondContact O-CG2 3.29Å; L344-T347 HydrophobicContact CB-CG2 3.75Å; L344-T347 WeakPolarHBondContact O-CG2 3.43Å; L344-T347 PolarHBondContact O-OG1 2.6Å; T347-S374 WeakPolarHBondContact O-CB 3.43Å; T347-S374 PolarHBondContact O-OG 3.05Å; T347-S374 WeakPolarHBondContact OG1-CA 3.38Å; T347-S374 WeakPolarHBondContact OG1-CB 3.46Å; T347-R375 PolarHBondContact N-O 2.99Å; T347-R375 VanDerWaalsContact N-O 3.13Å; T347-R375 PolarHBondContact OG1-N 3.45Å; T347-R375 VanDerWaalsContact OG1-N 3.09Å
348	L	86.6	Confident	88.9	Confident	10 Å²	10	15.8 Å²	15.8	5%	0.052	9%	0.093	C	C	.	.			trans	-73.3	141.6	-174.8	-56.4	-177.3	0	0	0	111.8	I338 D353 M377 T378 K390	I338-L348 HydrophobicContact CD1-CD2 3.78Å; I338-L348 HydrophobicContact CG1-CD2 3.48Å; I338-L348 VanDerWaalsContact CG1-CD2 3.48Å; L348-D353 HydrophobicContact CB-CB 4.2Å; L348-M377 WeakPolarHBondContact CD1-O 3.37Å; L348-T378 HydrophobicContact CD1-CG2 4.05Å; L348-K390 HydrophobicContact CD1-CB 3.48Å; L348-K390 VanDerWaalsContact CD1-CB 3.48Å; L348-K390 HydrophobicContact CD1-CG 4.23Å; L348-K390 HydrophobicContact CD2-CB 4.25Å
349	N	83.2	Confident	89.2	Confident	17 Å²	17	15.8 Å²	15.8	9%	0.091	9%	0.093	C	C	.	.			trans	-107.3	145.6	178	-71.8	-24.8	0	0	0	113.1	I338 G339 D341 A352 D353	I338-N349 PolarHBondContact O-N 2.72Å; G339-N349 VanDerWaalsContact CA-ND2 3.31Å; G339-N349 WeakPolarHBondContact CA-ND2 2.76Å; D341-N349 PolarHBondContact OD2-ND2 3.13Å; N349-A352 PolarHBondContact O-N 3Å; N349-A352 VanDerWaalsContact O-N 3.14Å; N349-D353 PolarHBondContact O-N 3.09Å
350	N	82.2	Confident	89.6	Confident	9 Å²	9	15.6 Å²	15.6	5%	0.048	9%	0.091	C	C	.	.	B	Isolated β-bridge	trans	-77.6	140.4	173.1	-171.2	-92.8	0	0	0	111.1	G311 G312 F315 F320 D353 Q354	G311-N350 WeakPolarHBondContact CA-O 3.4Å; G312-N350 PolarHBondContact N-O 3.04Å; G312-N350 WeakPolarHBondContact O-CB 2.97Å; G312-N350 PolarHBondContact O-N 3.05Å; F315-N350 HydrophobicContact CB-CB 4.14Å; F320-N350 WeakPolarHBondContact CE1-OD1 3.03Å; N350-D353 WeakPolarHBondContact CA-OD1 3.1Å; N350-D353 PolarHBondContact ND2-OD1 2.92Å; N350-Q354 PolarHBondContact ND2-NE2 3.37Å
351	P	89.7	Confident	89.9	Confident	2 Å²	2	14.5 Å²	14.5	1%	0.013	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	cis	-94.9	9.2	4.3	36.4	-35.3	0	0	0	115.3	L308 F320 V324 M334 D353 Q354 V357	L308-P351 HydrophobicContact CD2-CG 3.66Å; F320-P351 HydrophobicContact CE1-CB 4.04Å; F320-P351 HydrophobicContact CE1-CG 4.03Å; F320-P351 HydrophobicContact CZ-CG 4.21Å; V324-P351 HydrophobicContact CG1-CB 4.4Å; V324-P351 HydrophobicContact CG2-CB 4.22Å; M334-P351 HydrophobicContact CE-CB 4.42Å; M334-P351 HydrophobicContact CE-CG 3.58Å; P351-D353 PolarHBondContact O-N 3.27Å; P351-Q354 HydrophobicContact CB-CG 4.36Å; P351-Q354 WeakPolarHBondContact O-CB 3.29Å; P351-Q354 PolarHBondContact O-N 3.01Å; P351-Q354 VanDerWaalsContact O-N 3.16Å; P351-V357 HydrophobicContact CB-CG2 4.49Å; P351-V357 WeakPolarHBondContact O-CB 3.4Å; P351-V357 WeakPolarHBondContact O-CG2 3.2Å
352	A	91.3	Very high	90.5	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-19.5	-179.4	0	0	0	0	0	113.2	A337 I338 N349 K390	A337-A352 WeakPolarHBondContact O-CB 3.16Å; I338-A352 HydrophobicContact CD1-CB 3.93Å; N349-A352 PolarHBondContact O-N 3Å; N349-A352 VanDerWaalsContact O-N 3.14Å; A352-K390 WeakPolarHBondContact O-CE 3.18Å; A352-K390 PolarHBondContact O-NZ 3.22Å
353	D	88.8	Confident	90.9	Very high	2 Å²	2	10.2 Å²	10.2	1%	0.011	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-27.6	176.6	80	-28.4	0	0	0	112.4	L348 N349 N350 P351 M355 W380 K390	L348-D353 HydrophobicContact CB-CB 4.2Å; N349-D353 PolarHBondContact O-N 3.09Å; N350-D353 WeakPolarHBondContact CA-OD1 3.1Å; N350-D353 PolarHBondContact ND2-OD1 2.92Å; P351-D353 PolarHBondContact O-N 3.27Å; D353-M355 VanDerWaalsContact O-CE 3.25Å; D353-M355 WeakPolarHBondContact O-CE 3.38Å; D353-W380 VanDerWaalsContact C-CH2 3.44Å; D353-W380 HydrophobicContact CB-CH2 3.24Å; D353-W380 HydrophobicContact CB-CZ2 4.43Å; D353-W380 HydrophobicContact CB-CZ3 3.36Å; D353-W380 VanDerWaalsContact CG-CH2 3.43Å; D353-W380 VanDerWaalsContact CG-CZ3 3.4Å; D353-W380 WeakPolarHBondContact O-CH2 3.43Å; D353-W380 WeakPolarHBondContact O-CZ2 3.33Å; D353-W380 WeakPolarHBondContact OD2-CH2 3.44Å; D353-W380 WeakPolarHBondContact OD2-CZ3 3.36Å; D353-K390 WeakPolarHBondContact O-CE 3.39Å
354	Q	90.6	Very high	91.1	Very high	21 Å²	21	9.1 Å²	9.1	10%	0.098	5%	0.049	C	C	.	.	S	Bend	trans	-63	143.8	178	-62.3	-63	-42.5	0	0	113.1	N350 P351 D356 V357 K390	N350-Q354 PolarHBondContact ND2-NE2 3.37Å; P351-Q354 HydrophobicContact CB-CG 4.36Å; P351-Q354 WeakPolarHBondContact O-CB 3.29Å; P351-Q354 PolarHBondContact O-N 3.01Å; P351-Q354 VanDerWaalsContact O-N 3.16Å; Q354-D356 PolarHBondContact O-N 3.4Å; Q354-V357 HydrophobicContact CB-CB 4.27Å; Q354-V357 HydrophobicContact CB-CG2 3.93Å; Q354-V357 PolarHBondContact O-N 2.84Å; Q354-K390 VanDerWaalsContact O-CE 3.26Å; Q354-K390 WeakPolarHBondContact O-CE 3.32Å; Q354-K390 PolarHBondContact O-NZ 3.32Å
355	M	92.1	Very high	91.2	Very high	7 Å²	7	10.1 Å²	10.1	3%	0.034	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-29.3	-175.4	-70.6	-54.1	113.5	0	0	114.2	D353 V357 T378 W380 R388 K390 K445 T519 S561	D353-M355 VanDerWaalsContact O-CE 3.25Å; D353-M355 WeakPolarHBondContact O-CE 3.38Å; M355-V357 VanDerWaalsContact C-N 3.33Å; M355-T378 HydrophobicContact CE-CG2 3.69Å; M355-W380 HydrophobicContact CE-CZ2 4.27Å; M355-R388 HydrophobicContact CE-CB 4.06Å; M355-R388 HydrophobicContact SD-CB 4.24Å; M355-K390 HydrophobicContact CE-CG 4Å; M355-K445 PolarHBondContact O-NZ 3.39Å; M355-T519 HydrophobicContact CB-CG2 4.16Å; M355-T519 HydrophobicContact CG-CG2 4.04Å; M355-T519 HydrophobicContact SD-CG2 3.97Å; M355-T519 PolarHBondContact SD-OG1 3.24Å; M355-S561 WeakPolarHBondContact CB-OG 3.43Å
356	D	93.8	Very high	91.3	Very high	12 Å²	12	16.5 Å²	16.5	6%	0.064	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-7	178.8	-51.7	-76.7	0	0	0	113.1	T328 Q354 P559 W560 S561	T328-D356 HydrophobicContact CG2-CB 4.38Å; Q354-D356 PolarHBondContact O-N 3.4Å; D356-P559 WeakPolarHBondContact OD2-CD 3.21Å; D356-W560 WeakPolarHBondContact OD1-CA 3.42Å; D356-W560 WeakPolarHBondContact OD1-CB 3.3Å; D356-W560 PolarHBondContact OD1-N 2.92Å; D356-S561 VanDerWaalsContact CG-OG 3.27Å; D356-S561 WeakPolarHBondContact OD1-CB 3.32Å; D356-S561 PolarHBondContact OD1-N 3.18Å; D356-S561 VanDerWaalsContact OD1-N 3.07Å; D356-S561 PolarHBondContact OD1-OG 3.43Å; D356-S561 PolarHBondContact OD2-OG 3.23Å
357	V	95.3	Very high	91.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	-93.5	141.9	174	179.8	0	0	0	0	109.8	V324 M334 P351 Q354 M355 G359 K390 D392 K445	V324-V357 HydrophobicContact CG1-CG2 3.66Å; M334-V357 HydrophobicContact CB-CG1 4.49Å; M334-V357 HydrophobicContact CB-CG2 4.41Å; M334-V357 HydrophobicContact CG-CG1 4.17Å; M334-V357 HydrophobicContact CG-CG2 4.33Å; M334-V357 HydrophobicContact SD-CG2 3.96Å; P351-V357 HydrophobicContact CB-CG2 4.49Å; P351-V357 WeakPolarHBondContact O-CB 3.4Å; P351-V357 WeakPolarHBondContact O-CG2 3.2Å; Q354-V357 HydrophobicContact CB-CB 4.27Å; Q354-V357 HydrophobicContact CB-CG2 3.93Å; Q354-V357 PolarHBondContact O-N 2.84Å; M355-V357 VanDerWaalsContact C-N 3.33Å; V357-G359 PolarHBondContact O-N 3.47Å; V357-K390 PolarHBondContact O-NZ 2.88Å; V357-D392 VanDerWaalsContact O-OD2 3.08Å; V357-K445 PolarHBondContact O-NZ 3.25Å
358	I	97.6	Very high	91.9	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.015	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	101.8	171.4	-59.3	166.6	0	0	0	107.9	I333 M334 V335 S336 V360 V422 M444 K445 L448	I333-I358 HydrophobicContact CG2-CD1 3.66Å; M334-I358 PolarHBondContact O-N 3.05Å; V335-I358 HydrophobicContact CG2-CB 4.35Å; V335-I358 HydrophobicContact CG2-CD1 4.3Å; S336-I358 PolarHBondContact N-O 3.19Å; I358-V360 HydrophobicContact CG2-CG2 4.22Å; I358-V422 HydrophobicContact CG2-CG1 4.19Å; I358-M444 HydrophobicContact CD1-CG 4.29Å; I358-K445 HydrophobicContact CG1-CB 4.22Å; I358-K445 HydrophobicContact CG1-CD 4.38Å; I358-K445 HydrophobicContact CG1-CG 4.35Å; I358-L448 HydrophobicContact CD1-CD1 3.88Å; I358-L448 HydrophobicContact CG2-CD1 4.24Å
359	G	96.2	Very high	92.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	123.4	179.7	0	0	0	0	0	111.6	V357 D392	V357-G359 PolarHBondContact O-N 3.47Å; G359-D392 PolarHBondContact N-OD2 3.24Å; G359-D392 PolarHBondContact O-N 3.37Å
360	V	97.5	Very high	92.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	122	-169.2	-174.2	0	0	0	0	111.9	V335 S336 I338 I358 T395 A418 V422	V335-V360 HydrophobicContact CG1-CG2 3.74Å; S336-V360 PolarHBondContact O-N 3.21Å; I338-V360 WeakPolarHBondContact CB-O 3.27Å; I338-V360 WeakPolarHBondContact CG2-O 3.49Å; I338-V360 PolarHBondContact N-O 2.97Å; I358-V360 HydrophobicContact CG2-CG2 4.22Å; V360-T395 HydrophobicContact CG1-CG2 3.84Å; V360-A418 HydrophobicContact CG1-CB 3.85Å; V360-V422 HydrophobicContact CB-CG2 4.27Å; V360-V422 HydrophobicContact CG1-CB 4.47Å; V360-V422 HydrophobicContact CG1-CG2 3.55Å; V360-V422 HydrophobicContact CG2-CB 3.83Å; V360-V422 HydrophobicContact CG2-CG1 4.09Å; V360-V422 HydrophobicContact CG2-CG2 3.65Å
361	G	96.7	Very high	93.3	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	165.7	170.3	0	0	0	0	0	113.7	S373 I393 V394 T395	G361-S373 WeakPolarHBondContact CA-OG 3.3Å; G361-I393 PolarHBondContact N-O 3.21Å; G361-V394 WeakPolarHBondContact O-CA 3.43Å; G361-T395 PolarHBondContact O-N 3.35Å
362	G	95.5	Very high	93.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	135.3	-174	0	0	0	0	0	113.6	A370 S373 T395	G362-A370 VanDerWaalsContact O-CB 3.28Å; G362-A370 WeakPolarHBondContact O-CB 3.31Å; G362-A370 PolarHBondContact O-N 2.91Å; G362-S373 PolarHBondContact N-OG 2.94Å; G362-T395 CarbonylContact C-O 3.4Å; G362-T395 WeakPolarHBondContact CA-O 3.12Å
363	I	95.8	Very high	93.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	161.7	168.9	54.5	161.6	0	0	0	111.7	N368 I369 V394 T395 Y396 G397 A398 L455 K467	I363-N368 CarbonylContact C-O 3.51Å; I363-N368 WeakPolarHBondContact CA-O 3.49Å; I363-N368 VanDerWaalsContact CB-O 3.23Å; I363-N368 WeakPolarHBondContact CB-O 3.3Å; I363-N368 WeakPolarHBondContact CG2-O 3.25Å; I363-I369 HydrophobicContact CG2-CD1 3.8Å; I363-V394 HydrophobicContact CG2-CB 3.97Å; I363-V394 HydrophobicContact CG2-CG2 3.86Å; I363-T395 WeakPolarHBondContact CG1-O 3.38Å; I363-T395 PolarHBondContact N-O 2.91Å; I363-Y396 HydrophobicContact CD1-CD1 4.11Å; I363-Y396 HydrophobicContact CD1-CE1 4.07Å; I363-Y396 HydrophobicContact CG1-CD1 4.2Å; I363-G397 PolarHBondContact O-N 3.2Å; I363-A398 PolarHBondContact O-N 3.36Å; I363-L455 HydrophobicContact CG2-CD1 3.9Å; I363-K467 HydrophobicContact CD1-CB 4.5Å; I363-K467 HydrophobicContact CD1-CD 3.8Å; I363-K467 HydrophobicContact CD1-CG 3.98Å
364	D	92.4	Very high	93.6	Very high	35 Å²	35	33.5 Å²	33.5	19%	0.187	15%	0.154	C	C	.	.			trans	-83.3	178.3	167.3	67.8	18.4	0	0	0	112.3	E366 D367 N368 Y396 A398	D364-E366 PolarHBondContact O-N 3.46Å; D364-E366 VanDerWaalsContact OD1-C 3.3Å; D364-E366 WeakPolarHBondContact OD1-CA 3.46Å; D364-E366 WeakPolarHBondContact OD1-CB 3.29Å; D364-E366 PolarHBondContact OD1-N 3.04Å; D364-D367 PolarHBondContact O-N 3.43Å; D364-D367 PolarHBondContact OD1-N 3.01Å; D364-N368 PolarHBondContact N-O 2.79Å; D364-N368 PolarHBondContact OD1-N 3.02Å; D364-N368 PolarHBondContact OD1-ND2 3.04Å; D364-N368 WeakPolarHBondContact OD2-CB 3.41Å; D364-N368 PolarHBondContact OD2-ND2 2.81Å; D364-Y396 VanDerWaalsContact O-CD1 3.28Å; D364-Y396 WeakPolarHBondContact O-CD1 3.32Å; D364-Y396 VanDerWaalsContact O-CE1 3.32Å; D364-Y396 WeakPolarHBondContact O-CE1 3.44Å; D364-A398 HydrophobicContact CB-CB 4.19Å
365	F	89.8	Confident	93.7	Very high	71 Å²	71	34.2 Å²	34.2	31%	0.311	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-11	-179.9	-77.3	-77.8	0	0	0	113.3	V195 D367 Y396 A398	V195-F365 HydrophobicContact CG2-CE1 3.88Å; V195-F365 HydrophobicContact CG2-CZ 3.63Å; F365-D367 VanDerWaalsContact C-N 3.33Å; F365-Y396 AromaticContact CD1-CD1 3.81Å; F365-Y396 HydrophobicContact CD1-CD1 3.81Å; F365-Y396 AromaticContact CD1-CE1 3.86Å; F365-Y396 HydrophobicContact CD1-CE1 3.86Å; F365-Y396 HydrophobicContact CD1-CG 4.3Å; F365-Y396 HydrophobicContact CE1-CD1 4.12Å; F365-Y396 HydrophobicContact CE1-CE1 4.47Å; F365-Y396 HydrophobicContact CE1-CG 4.15Å; F365-Y396 HydrophobicContact CG-CD1 4.28Å; F365-Y396 HydrophobicContact CG-CE1 4.42Å; F365-A398 VanDerWaalsContact CE2-O 3.27Å; F365-A398 WeakPolarHBondContact CE2-O 3.5Å
366	E	89.9	Confident	93.6	Very high	139 Å²	139	33.9 Å²	33.9	65%	0.65	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	2.7	174.3	-66.8	72.1	-157.9	0	0	112.8	D364 N368	D364-E366 PolarHBondContact O-N 3.46Å; D364-E366 VanDerWaalsContact OD1-C 3.3Å; D364-E366 WeakPolarHBondContact OD1-CA 3.46Å; D364-E366 WeakPolarHBondContact OD1-CB 3.29Å; D364-E366 PolarHBondContact OD1-N 3.04Å; E366-N368 VanDerWaalsContact C-N 3.34Å; E366-N368 WeakPolarHBondContact CB-ND2 3.48Å
367	D	90.6	Very high	93.4	Very high	52 Å²	52	33.3 Å²	33.3	28%	0.278	15%	0.152	S	C	.	.	S	Bend	trans	66.9	26.6	-177.9	-63.2	-23	0	0	0	114.2	D364 F365 Y396 L455 K467	D364-D367 PolarHBondContact O-N 3.43Å; D364-D367 PolarHBondContact OD1-N 3.01Å; F365-D367 VanDerWaalsContact C-N 3.33Å; D367-Y396 PolarHBondContact OD1-OH 3.4Å; D367-L455 HydrophobicContact CB-CD2 3.93Å; D367-K467 VanDerWaalsContact CG-NZ 3.33Å; D367-K467 IonicContact OD1-NZ 3.6Å; D367-K467 PolarHBondContact OD1-NZ 3Å; D367-K467 IonicContact OD2-NZ 3.97Å; D367-K467 PolarHBondContact OD2-NZ 3.1Å
368	N	94.2	Very high	92.9	Very high	90 Å²	90	33.3 Å²	33.3	48%	0.481	15%	0.152	S	C	.	.	P	Polyproline II helix	trans	-91.8	147	167.9	-46.2	-68.2	0	0	0	111.1	I363 D364 E366 A370	I363-N368 CarbonylContact C-O 3.51Å; I363-N368 WeakPolarHBondContact CA-O 3.49Å; I363-N368 VanDerWaalsContact CB-O 3.23Å; I363-N368 WeakPolarHBondContact CB-O 3.3Å; I363-N368 WeakPolarHBondContact CG2-O 3.25Å; D364-N368 PolarHBondContact N-O 2.79Å; D364-N368 PolarHBondContact OD1-N 3.02Å; D364-N368 PolarHBondContact OD1-ND2 3.04Å; D364-N368 WeakPolarHBondContact OD2-CB 3.41Å; D364-N368 PolarHBondContact OD2-ND2 2.81Å; E366-N368 VanDerWaalsContact C-N 3.34Å; E366-N368 WeakPolarHBondContact CB-ND2 3.48Å; N368-A370 PolarHBondContact O-N 2.95Å
369	I	95.6	Very high	92.1	Very high	27 Å²	27	34.1 Å²	34.1	14%	0.138	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-60.4	125.2	170.8	-59.6	-63.2	0	0	0	109.3	I363 R371 V394 L455 V458 E462 Q463	I363-I369 HydrophobicContact CG2-CD1 3.8Å; I369-R371 PolarHBondContact O-N 3.48Å; I369-V394 HydrophobicContact CD1-CG1 4.13Å; I369-V394 HydrophobicContact CD1-CG2 4.45Å; I369-L455 HydrophobicContact CD1-CD1 4.08Å; I369-V458 HydrophobicContact CD1-CG1 4Å; I369-V458 HydrophobicContact CG1-CG1 3.6Å; I369-V458 HydrophobicContact CG1-CG2 4.14Å; I369-E462 HydrophobicContact CG1-CB 4.37Å; I369-Q463 HydrophobicContact CD1-CB 4.1Å
370	A	94.3	Very high	91.1	Very high	7 Å²	7	36 Å²	36	6%	0.058	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-65.1	136.3	177.6	0	0	0	0	0	109.7	G362 N368 F372 S373	G362-A370 VanDerWaalsContact O-CB 3.28Å; G362-A370 WeakPolarHBondContact O-CB 3.31Å; G362-A370 PolarHBondContact O-N 2.91Å; N368-A370 PolarHBondContact O-N 2.95Å; A370-F372 HydrophobicContact CB-CD1 4.13Å; A370-F372 HydrophobicContact CB-CD2 4.32Å; A370-F372 HydrophobicContact CB-CE1 3.65Å; A370-F372 HydrophobicContact CB-CE2 3.83Å; A370-F372 HydrophobicContact CB-CG 4.44Å; A370-F372 HydrophobicContact CB-CZ 3.48Å; A370-F372 VanDerWaalsContact CB-CZ 3.48Å; A370-F372 PolarHBondContact O-N 3.32Å; A370-F372 VanDerWaalsContact O-N 3.15Å; A370-S373 VanDerWaalsContact O-CB 3.3Å; A370-S373 WeakPolarHBondContact O-CB 3.37Å; A370-S373 PolarHBondContact O-N 2.84Å
371	R	92	Very high	90.1	Very high	203 Å²	203	37.8 Å²	37.8	77%	0.766	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-36.3	-174.4	-167	177.1	77.1	167	2.1	113.2	G342 P343 I369 S373	G342-R371 CarbonylContact C-O 3.55Å; P343-R371 HydrophobicContact CB-CG 4.32Å; P343-R371 HydrophobicContact CG-CG 4.25Å; I369-R371 PolarHBondContact O-N 3.48Å; R371-S373 VanDerWaalsContact C-N 3.31Å
372	F	89.8	Confident	89.1	Confident	36 Å²	36	37.9 Å²	37.9	16%	0.158	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-18.3	178.2	59.1	-105.6	0	0	0	113.2	N340 D341 G342 A370 S374 A398 G414 T415	N340-F372 CarbonylContact C-O 3.45Å; N340-F372 WeakPolarHBondContact CA-O 3.45Å; N340-F372 VanDerWaalsContact OD1-CD2 3.3Å; N340-F372 WeakPolarHBondContact OD1-CD2 3.45Å; D341-F372 PolarHBondContact N-O 2.76Å; G342-F372 PolarHBondContact N-O 2.83Å; G342-F372 VanDerWaalsContact N-O 3.12Å; A370-F372 HydrophobicContact CB-CD1 4.13Å; A370-F372 HydrophobicContact CB-CD2 4.32Å; A370-F372 HydrophobicContact CB-CE1 3.65Å; A370-F372 HydrophobicContact CB-CE2 3.83Å; A370-F372 HydrophobicContact CB-CG 4.44Å; A370-F372 HydrophobicContact CB-CZ 3.48Å; A370-F372 VanDerWaalsContact CB-CZ 3.48Å; A370-F372 PolarHBondContact O-N 3.32Å; A370-F372 VanDerWaalsContact O-N 3.15Å; F372-S374 PolarHBondContact O-N 3.32Å; F372-S374 VanDerWaalsContact O-N 3.11Å; F372-A398 HydrophobicContact CE1-CB 4.41Å; F372-A398 HydrophobicContact CZ-CB 4.46Å; F372-G414 VanDerWaalsContact CE2-C 3.48Å; F372-G414 VanDerWaalsContact CE2-CA 3.43Å; F372-T415 HydrophobicContact CD2-CG2 4.23Å; F372-T415 HydrophobicContact CE2-CG2 4.06Å
373	S	94.2	Very high	87.7	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-63.4	119.8	-175.2	-170.6	0	0	0	0	109.8	G361 G362 A370 R371	G361-S373 WeakPolarHBondContact CA-OG 3.3Å; G362-S373 PolarHBondContact N-OG 2.94Å; A370-S373 VanDerWaalsContact O-CB 3.3Å; A370-S373 WeakPolarHBondContact O-CB 3.37Å; A370-S373 PolarHBondContact O-N 2.84Å; R371-S373 VanDerWaalsContact C-N 3.31Å
374	S	92.3	Very high	86.3	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.216	C	C	.	.			trans	-57.7	152	174.4	-68.2	0	0	0	0	111.6	G339 N340 D341 T347 F372	G339-S374 VanDerWaalsContact CA-OG 3.28Å; G339-S374 WeakPolarHBondContact CA-OG 3.42Å; G339-S374 PolarHBondContact O-N 3.38Å; G339-S374 PolarHBondContact O-OG 3.01Å; N340-S374 PolarHBondContact N-OG 3.02Å; D341-S374 PolarHBondContact N-OG 2.92Å; D341-S374 VanDerWaalsContact N-OG 3.11Å; T347-S374 WeakPolarHBondContact O-CB 3.43Å; T347-S374 PolarHBondContact O-OG 3.05Å; T347-S374 WeakPolarHBondContact OG1-CA 3.38Å; T347-S374 WeakPolarHBondContact OG1-CB 3.46Å; F372-S374 PolarHBondContact O-N 3.32Å; F372-S374 VanDerWaalsContact O-N 3.11Å
375	R	92.2	Very high	85.3	Confident	36 Å²	36	41.4 Å²	41.4	14%	0.136	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-127.4	140.4	-172.9	-60.3	169.4	-175.2	-175.2	-12	109.8	P343 Y345 G346 T347 E462	P343-R375 VanDerWaalsContact CB-CZ 3.44Å; P343-R375 VanDerWaalsContact O-CD 3.23Å; P343-R375 WeakPolarHBondContact O-CD 3.45Å; P343-R375 VanDerWaalsContact O-CZ 3.26Å; P343-R375 PolarHBondContact O-NE 3.09Å; P343-R375 PolarHBondContact O-NH1 2.68Å; Y345-R375 HydrophobicContact CD1-CB 4.35Å; Y345-R375 HydrophobicContact CG-CB 4.34Å; G346-R375 PolarHBondContact N-O 3.29Å; T347-R375 PolarHBondContact N-O 2.99Å; T347-R375 VanDerWaalsContact N-O 3.13Å; T347-R375 PolarHBondContact OG1-N 3.45Å; T347-R375 VanDerWaalsContact OG1-N 3.09Å; R375-E462 HydrophobicContact CG-CG 4.04Å; R375-E462 IonicContact CZ-OE1 2.96Å; R375-E462 IonicContact NE-OE1 2.91Å; R375-E462 IonicContact NH1-OE1 3.44Å; R375-E462 PolarHBondContact NH1-OE1 3.24Å; R375-E462 IonicContact NH2-OE1 3.31Å
376	G	89.8	Confident	84.9	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.2	C	C	.	.			trans	-70.2	-171.7	176.5	0	0	0	0	0	112.6	Y345 G346 K390 F461	Y345-G376 WeakPolarHBondContact CD1-O 2.8Å; G346-G376 PolarHBondContact N-O 2.87Å; G376-K390 WeakPolarHBondContact CA-O 3.35Å; G376-K390 PolarHBondContact N-O 2.82Å; G376-F461 PolarHBondContact N-O 2.83Å
377	M	88.9	Confident	84.8	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.005	17%	0.169	C	C	.	.	S	Bend	cis	-79.1	179.4	2.3	62.9	-159.2	74.4	0	0	113.9	L348 T379 L382 Y386 G387 F461 P501 H660	L348-M377 WeakPolarHBondContact CD1-O 3.37Å; M377-T379 PolarHBondContact O-N 3.11Å; M377-L382 HydrophobicContact CG-CD2 3.63Å; M377-L382 HydrophobicContact SD-CD2 3.54Å; M377-L382 VanDerWaalsContact SD-CD2 3.54Å; M377-Y386 HydrophobicContact SD-CD1 4.27Å; M377-G387 PolarHBondContact SD-N 2.85Å; M377-F461 HydrophobicContact CB-CD1 3.63Å; M377-F461 HydrophobicContact CB-CE1 3.4Å; M377-F461 VanDerWaalsContact CB-CE1 3.4Å; M377-F461 HydrophobicContact CB-CZ 4.13Å; M377-F461 HydrophobicContact CE-CE2 4.27Å; M377-F461 HydrophobicContact CE-CZ 4.21Å; M377-P501 HydrophobicContact CE-CG 4.38Å; M377-H660 HydrophobicContact CE-CB 4.17Å
378	T	86.6	Confident	84.8	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.161	C	C	.	.			trans	-61.8	122.3	171.6	54.6	0	0	0	0	111.2	L348 M355 W380 E381 G387 R388 K390	L348-T378 HydrophobicContact CD1-CG2 4.05Å; M355-T378 HydrophobicContact CE-CG2 3.69Å; T378-W380 VanDerWaalsContact CB-CZ2 3.42Å; T378-W380 HydrophobicContact CG2-CH2 3.12Å; T378-W380 HydrophobicContact CG2-CZ2 3.33Å; T378-W380 HydrophobicContact CG2-CZ3 3.87Å; T378-E381 PolarHBondContact OG1-OE2 3.5Å; T378-G387 WeakPolarHBondContact O-CA 3.45Å; T378-G387 WeakPolarHBondContact OG1-CA 3.31Å; T378-R388 HydrophobicContact CG2-CB 4.33Å; T378-R388 PolarHBondContact N-O 3.02Å; T378-R388 PolarHBondContact OG1-N 3.42Å; T378-K390 HydrophobicContact CG2-CB 4.41Å; T378-K390 HydrophobicContact CG2-CG 4Å
379	T	80	Confident	84.8	Confident	19 Å²	19	27.5 Å²	27.5	12%	0.117	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-79.1	-27.8	-171.8	49.6	0	0	0	0	113.4	G346 M377 E381 L382	G346-T379 VanDerWaalsContact CA-CG2 3.48Å; G346-T379 WeakPolarHBondContact O-CG2 3.12Å; M377-T379 PolarHBondContact O-N 3.11Å; T379-E381 PolarHBondContact O-N 3.36Å; T379-L382 HydrophobicContact CG2-CD1 3.94Å; T379-L382 WeakPolarHBondContact O-CB 3.4Å; T379-L382 PolarHBondContact O-N 3.23Å; T379-L382 VanDerWaalsContact O-N 3.13Å
380	W	75.9	Confident	84.8	Confident	41 Å²	41	26.2 Å²	26.2	16%	0.155	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-66.3	-10.5	-179.5	58.5	93.6	0	0	0	114.7	F315 D353 M355 T378	F315-W380 HydrophobicContact CE2-CB 4.39Å; F315-W380 HydrophobicContact CZ-CB 4.2Å; D353-W380 VanDerWaalsContact C-CH2 3.44Å; D353-W380 HydrophobicContact CB-CH2 3.24Å; D353-W380 HydrophobicContact CB-CZ2 4.43Å; D353-W380 HydrophobicContact CB-CZ3 3.36Å; D353-W380 VanDerWaalsContact CG-CH2 3.43Å; D353-W380 VanDerWaalsContact CG-CZ3 3.4Å; D353-W380 WeakPolarHBondContact O-CH2 3.43Å; D353-W380 WeakPolarHBondContact O-CZ2 3.33Å; D353-W380 WeakPolarHBondContact OD2-CH2 3.44Å; D353-W380 WeakPolarHBondContact OD2-CZ3 3.36Å; M355-W380 HydrophobicContact CE-CZ2 4.27Å; T378-W380 VanDerWaalsContact CB-CZ2 3.42Å; T378-W380 HydrophobicContact CG2-CH2 3.12Å; T378-W380 HydrophobicContact CG2-CZ2 3.33Å; T378-W380 HydrophobicContact CG2-CZ3 3.87Å
381	E	76.7	Confident	84.9	Confident	36 Å²	36	25.9 Å²	25.9	17%	0.168	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-105.6	-7.8	179.8	-60.5	179.1	117.7	0	0	112.6	T378 T379 P383 G384 R388	T378-E381 PolarHBondContact OG1-OE2 3.5Å; T379-E381 PolarHBondContact O-N 3.36Å; E381-P383 VanDerWaalsContact C-CD 3.48Å; E381-G384 PolarHBondContact O-N 3.39Å; E381-R388 IonicContact OE1-CZ 3.62Å; E381-R388 IonicContact OE1-NE 3.64Å; E381-R388 PolarHBondContact OE1-NE 3.12Å; E381-R388 IonicContact OE1-NH2 3.39Å; E381-R388 PolarHBondContact OE1-NH2 3.1Å; E381-R388 WeakPolarHBondContact OE2-CG 3.41Å; E381-R388 IonicContact OE2-CZ 3.96Å; E381-R388 PolarHBondContact OE2-N 3.16Å; E381-R388 IonicContact OE2-NE 3.53Å; E381-R388 PolarHBondContact OE2-NE 2.61Å; E381-R388 IonicContact OE2-NH2 3.36Å
382	L	75.7	Confident	85.1	Confident	2 Å²	2	16.4 Å²	16.4	1%	0.01	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-61.7	-34.7	-177	-67.6	177	0	0	0	115.1	M377 T379 G384 G385 H658 T661	M377-L382 HydrophobicContact CG-CD2 3.63Å; M377-L382 HydrophobicContact SD-CD2 3.54Å; M377-L382 VanDerWaalsContact SD-CD2 3.54Å; T379-L382 HydrophobicContact CG2-CD1 3.94Å; T379-L382 WeakPolarHBondContact O-CB 3.4Å; T379-L382 PolarHBondContact O-N 3.23Å; T379-L382 VanDerWaalsContact O-N 3.13Å; L382-G384 PolarHBondContact O-N 3.08Å; L382-G384 VanDerWaalsContact O-N 3.09Å; L382-G385 WeakPolarHBondContact O-CA 3.32Å; L382-G385 PolarHBondContact O-N 3.37Å; L382-H658 HydrophobicContact CD1-CB 4.03Å; L382-H658 HydrophobicContact CD2-CB 4.4Å; L382-T661 HydrophobicContact CD1-CG2 3.81Å
383	P	65.5	Low	85.5	Confident	37 Å²	37	14.7 Å²	14.7	24%	0.24	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-60.2	-22	173.5	-23.6	32.7	0	0	0	113.6	E381 R634	E381-P383 VanDerWaalsContact C-CD 3.48Å; P383-R634 HydrophobicContact CG-CB 3.69Å; P383-R634 HydrophobicContact CG-CG 4.02Å
384	G	65.9	Low	85.7	Confident	65 Å²	65	14.7 Å²	14.7	67%	0.67	9%	0.088	S	C	*	.	G	3₁₀ helix	trans	-90.4	3.2	173.9	0	0	0	0	0	114.2	E381 L382	E381-G384 PolarHBondContact O-N 3.39Å; L382-G384 PolarHBondContact O-N 3.08Å; L382-G384 VanDerWaalsContact O-N 3.09Å
385	G	70.5	Confident	85.9	Confident	7 Å²	7	14.7 Å²	14.7	7%	0.072	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	117.1	-42.1	171.2	0	0	0	0	0	115.3	L382 H658	L382-G385 WeakPolarHBondContact O-CA 3.32Å; L382-G385 PolarHBondContact O-N 3.37Å; G385-H658 PolarHBondContact O-NE2 3.17Å
386	Y	82.4	Confident	86.1	Confident	23 Å²	23	13.6 Å²	13.6	9%	0.09	8%	0.084	C	C	.	.			trans	-152.7	144.3	-179	-71.4	-90.2	0	0	0	111.5	M377 P501 Y502 V515 N517 H660	M377-Y386 HydrophobicContact SD-CD1 4.27Å; Y386-P501 HydrophobicContact CE1-CG 4.07Å; Y386-Y502 AromaticContact CD1-CE1 3.64Å; Y386-Y502 HydrophobicContact CD1-CE1 3.64Å; Y386-Y502 HydrophobicContact CE1-CD1 4.41Å; Y386-Y502 AromaticContact CE1-CE1 3.82Å; Y386-Y502 HydrophobicContact CE1-CE1 3.82Å; Y386-Y502 HydrophobicContact CG-CE1 4.08Å; Y386-V515 HydrophobicContact CD2-CB 4.19Å; Y386-V515 WeakPolarHBondContact CD2-O 3.3Å; Y386-N517 PolarHBondContact O-ND2 3.29Å; Y386-H660 AromaticContact CE1-CD2 3.4Å; Y386-H660 WeakPolarHBondContact CE1-CD2 3.33Å; Y386-H660 AromaticContact CE1-NE2 3.63Å; Y386-H660 AromaticContact CZ-NE2 3.89Å; Y386-H660 PolarHBondContact OH-NE2 3.15Å
387	G	87.6	Confident	86.2	Confident	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.084	C	C	.	.	P	Polyproline II helix	trans	-85.7	167.5	170.5	0	0	0	0	0	114.4	M377 T378	M377-G387 PolarHBondContact SD-N 2.85Å; T378-G387 WeakPolarHBondContact O-CA 3.45Å; T378-G387 WeakPolarHBondContact OG1-CA 3.31Å
388	R	91.5	Very high	86.4	Confident	31 Å²	31	14.6 Å²	14.6	12%	0.117	9%	0.092	C	C	.	.	P	Polyproline II helix	trans	-82.6	164.5	171.8	-74.9	179.4	-73.9	-173.7	-8	112.4	M355 T378 E381 K390 N517 T519	M355-R388 HydrophobicContact CE-CB 4.06Å; M355-R388 HydrophobicContact SD-CB 4.24Å; T378-R388 HydrophobicContact CG2-CB 4.33Å; T378-R388 PolarHBondContact N-O 3.02Å; T378-R388 PolarHBondContact OG1-N 3.42Å; E381-R388 IonicContact OE1-CZ 3.62Å; E381-R388 IonicContact OE1-NE 3.64Å; E381-R388 PolarHBondContact OE1-NE 3.12Å; E381-R388 IonicContact OE1-NH2 3.39Å; E381-R388 PolarHBondContact OE1-NH2 3.1Å; E381-R388 WeakPolarHBondContact OE2-CG 3.41Å; E381-R388 IonicContact OE2-CZ 3.96Å; E381-R388 PolarHBondContact OE2-N 3.16Å; E381-R388 IonicContact OE2-NE 3.53Å; E381-R388 PolarHBondContact OE2-NE 2.61Å; E381-R388 IonicContact OE2-NH2 3.36Å; R388-K390 PolarHBondContact O-N 3.37Å; R388-N517 HydrophobicContact CG-CB 3.71Å; R388-T519 WeakPolarHBondContact CD-OG1 3.5Å
389	V	94.1	Very high	86.5	Confident	6 Å²	6	15.2 Å²	15.2	4%	0.036	10%	0.099	C	C	.	.	P	Polyproline II helix	trans	-73.2	121.9	-176.7	-177.2	0	0	0	0	111.5	M460 F461	V389-M460 HydrophobicContact CB-SD 4.47Å; V389-M460 HydrophobicContact CG1-CB 4.35Å; V389-M460 HydrophobicContact CG1-CG 4.15Å; V389-M460 HydrophobicContact CG1-SD 4.25Å; V389-M460 HydrophobicContact CG2-CG 4.16Å; V389-M460 HydrophobicContact CG2-SD 3.36Å; V389-M460 WeakPolarHBondContact CG2-SD 3.43Å; V389-F461 HydrophobicContact CB-CE1 4.39Å; V389-F461 HydrophobicContact CG2-CE1 3.98Å; V389-F461 HydrophobicContact CG2-CZ 4.35Å
390	K	94.6	Very high	87	Confident	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.094	C	C	.	.			trans	-150	150	167.9	-82.4	-65.5	-177.4	156.3	0	108.9	I338 L348 A352 D353 Q354 M355 V357 G376 T378 R388 D392	I338-K390 HydrophobicContact CD1-CB 4.25Å; I338-K390 HydrophobicContact CD1-CD 4.41Å; L348-K390 HydrophobicContact CD1-CB 3.48Å; L348-K390 VanDerWaalsContact CD1-CB 3.48Å; L348-K390 HydrophobicContact CD1-CG 4.23Å; L348-K390 HydrophobicContact CD2-CB 4.25Å; A352-K390 WeakPolarHBondContact O-CE 3.18Å; A352-K390 PolarHBondContact O-NZ 3.22Å; D353-K390 WeakPolarHBondContact O-CE 3.39Å; Q354-K390 VanDerWaalsContact O-CE 3.26Å; Q354-K390 WeakPolarHBondContact O-CE 3.32Å; Q354-K390 PolarHBondContact O-NZ 3.32Å; M355-K390 HydrophobicContact CE-CG 4Å; V357-K390 PolarHBondContact O-NZ 2.88Å; G376-K390 WeakPolarHBondContact CA-O 3.35Å; G376-K390 PolarHBondContact N-O 2.82Å; T378-K390 HydrophobicContact CG2-CB 4.41Å; T378-K390 HydrophobicContact CG2-CG 4Å; R388-K390 PolarHBondContact O-N 3.37Å; K390-D392 IonicContact NZ-OD1 3.45Å; K390-D392 IonicContact NZ-OD2 2.69Å; K390-D392 PolarHBondContact NZ-OD2 3.45Å
391	P	96.3	Very high	87.7	Confident	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.101	C	C	.	.			cis	-63.1	168.5	-3.3	28	-35.1	0	0	0	112.9	I338 V394 F461 G464	I338-P391 HydrophobicContact CB-CB 4.26Å; I338-P391 HydrophobicContact CD1-CB 4.1Å; I338-P391 HydrophobicContact CG1-CB 3.9Å; P391-V394 HydrophobicContact CG-CG1 4.24Å; P391-F461 WeakPolarHBondContact CD-O 3.1Å; P391-G464 WeakPolarHBondContact O-CA 3.41Å
392	D	97.3	Very high	88.3	Confident	5 Å²	5	14.6 Å²	14.6	3%	0.027	9%	0.093	C	C	.	.	S	Bend	trans	-76.8	-44.5	176.6	-63	-62.9	0	0	0	111.1	V357 G359 K390 K445 I449 H465	V357-D392 VanDerWaalsContact O-OD2 3.08Å; G359-D392 PolarHBondContact N-OD2 3.24Å; G359-D392 PolarHBondContact O-N 3.37Å; K390-D392 IonicContact NZ-OD1 3.45Å; K390-D392 IonicContact NZ-OD2 2.69Å; K390-D392 PolarHBondContact NZ-OD2 3.45Å; D392-K445 WeakPolarHBondContact OD1-CE 3.46Å; D392-K445 IonicContact OD1-NZ 3.38Å; D392-K445 PolarHBondContact OD1-NZ 3.06Å; D392-K445 WeakPolarHBondContact OD2-CE 3.41Å; D392-K445 IonicContact OD2-NZ 3.96Å; D392-K445 PolarHBondContact OD2-NZ 3.42Å; D392-I449 HydrophobicContact CB-CG2 4.47Å; D392-H465 PolarHBondContact O-CD2 3.13Å; D392-H465 PolarHBondContact O-N 2.76Å
393	I	97.8	Very high	89.1	Confident	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	166.6	178.3	57.9	167.3	0	0	0	110.2	G361 V422 L448 I449 A452 G466 L468	G361-I393 PolarHBondContact N-O 3.21Å; I393-V422 HydrophobicContact CD1-CG1 4.06Å; I393-V422 HydrophobicContact CD1-CG2 3.91Å; I393-L448 HydrophobicContact CD1-CB 4.4Å; I393-L448 HydrophobicContact CD1-CD1 4.4Å; I393-I449 HydrophobicContact CG2-CG2 4.39Å; I393-A452 HydrophobicContact CG2-CB 4.04Å; I393-G466 WeakPolarHBondContact CA-O 2.75Å; I393-L468 HydrophobicContact CD1-CB 4.45Å; I393-L468 HydrophobicContact CD1-CD1 4.24Å
394	V	97.9	Very high	90.2	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	152.7	172.4	-65	0	0	0	0	112.1	G361 I363 I369 P391 L455 Q463 G466 K467 L468	G361-V394 WeakPolarHBondContact O-CA 3.43Å; I363-V394 HydrophobicContact CG2-CB 3.97Å; I363-V394 HydrophobicContact CG2-CG2 3.86Å; I369-V394 HydrophobicContact CD1-CG1 4.13Å; I369-V394 HydrophobicContact CD1-CG2 4.45Å; P391-V394 HydrophobicContact CG-CG1 4.24Å; V394-L455 HydrophobicContact CG2-CD1 3.9Å; V394-Q463 HydrophobicContact CG1-CB 4.43Å; V394-Q463 HydrophobicContact CG2-CB 4.26Å; V394-G466 PolarHBondContact N-O 2.9Å; V394-K467 HydrophobicContact CG2-CB 4.43Å; V394-K467 CarbonylContact O-C 3.6Å; V394-K467 VanDerWaalsContact O-CA 3.27Å; V394-K467 WeakPolarHBondContact O-CA 3.3Å; V394-L468 PolarHBondContact O-N 3.02Å
395	T	96.8	Very high	91.1	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	175.7	172.1	-165.1	0	0	0	0	111.2	V360 G361 G362 I363 G397 A418 V421 V422	V360-T395 HydrophobicContact CG1-CG2 3.84Å; G361-T395 PolarHBondContact O-N 3.35Å; G362-T395 CarbonylContact C-O 3.4Å; G362-T395 WeakPolarHBondContact CA-O 3.12Å; I363-T395 WeakPolarHBondContact CG1-O 3.38Å; I363-T395 PolarHBondContact N-O 2.91Å; T395-G397 PolarHBondContact O-N 3.38Å; T395-A418 HydrophobicContact CG2-CB 3.82Å; T395-A418 VanDerWaalsContact CG2-O 3.3Å; T395-A418 WeakPolarHBondContact CG2-O 3.46Å; T395-V421 HydrophobicContact CG2-CB 3.86Å; T395-V421 HydrophobicContact CG2-CG1 3.78Å; T395-V421 WeakPolarHBondContact OG1-CG1 3.44Å; T395-V422 HydrophobicContact CG2-CG2 3.74Å
396	Y	95.7	Very high	91.6	Very high	12 Å²	12	22.7 Å²	22.7	5%	0.047	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	115.5	180	-61.6	-63	0	0	0	111.1	V195 T198 L199 I363 D364 F365 D367 V400 K467	V195-Y396 HydrophobicContact CG1-CD2 3.98Å; V195-Y396 HydrophobicContact CG1-CG 4.49Å; T198-Y396 HydrophobicContact CG2-CE2 3.54Å; T198-Y396 VanDerWaalsContact CG2-OH 3.32Å; T198-Y396 WeakPolarHBondContact CG2-OH 3.41Å; L199-Y396 HydrophobicContact CD1-CD2 4.19Å; L199-Y396 HydrophobicContact CD2-CD2 4.27Å; L199-Y396 HydrophobicContact CD2-CE2 3.86Å; L199-Y396 HydrophobicContact CG-CD2 4.09Å; L199-Y396 HydrophobicContact CG-CE2 3.98Å; I363-Y396 HydrophobicContact CD1-CD1 4.11Å; I363-Y396 HydrophobicContact CD1-CE1 4.07Å; I363-Y396 HydrophobicContact CG1-CD1 4.2Å; D364-Y396 VanDerWaalsContact O-CD1 3.28Å; D364-Y396 WeakPolarHBondContact O-CD1 3.32Å; D364-Y396 VanDerWaalsContact O-CE1 3.32Å; D364-Y396 WeakPolarHBondContact O-CE1 3.44Å; F365-Y396 AromaticContact CD1-CD1 3.81Å; F365-Y396 HydrophobicContact CD1-CD1 3.81Å; F365-Y396 AromaticContact CD1-CE1 3.86Å; F365-Y396 HydrophobicContact CD1-CE1 3.86Å; F365-Y396 HydrophobicContact CD1-CG 4.3Å; F365-Y396 HydrophobicContact CE1-CD1 4.12Å; F365-Y396 HydrophobicContact CE1-CE1 4.47Å; F365-Y396 HydrophobicContact CE1-CG 4.15Å; F365-Y396 HydrophobicContact CG-CD1 4.28Å; F365-Y396 HydrophobicContact CG-CE1 4.42Å; D367-Y396 PolarHBondContact OD1-OH 3.4Å; Y396-V400 WeakPolarHBondContact O-CG2 3.18Å; Y396-K467 WeakPolarHBondContact OH-CE 3.48Å; Y396-K467 PolarHBondContact OH-NZ 3.41Å
397	G	93	Very high	91.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.118	C	C	.	.			trans	-128.1	-11	-179.9	0	0	0	0	0	113.2	I363 T395 S413 G414	I363-G397 PolarHBondContact O-N 3.2Å; T395-G397 PolarHBondContact O-N 3.38Å; G397-S413 CarbonylContact O-C 3.59Å; G397-S413 VanDerWaalsContact O-CA 3.23Å; G397-S413 WeakPolarHBondContact O-CA 2.81Å; G397-G414 PolarHBondContact O-N 2.82Å
398	A	92.4	Very high	91.5	Very high	22 Å²	22	23.9 Å²	23.9	18%	0.182	13%	0.131	C	C	.	.	S	Bend	trans	-104.4	129.8	176	0	0	0	0	0	111.6	I363 D364 F365 F372 V400	I363-A398 PolarHBondContact O-N 3.36Å; D364-A398 HydrophobicContact CB-CB 4.19Å; F365-A398 VanDerWaalsContact CE2-O 3.27Å; F365-A398 WeakPolarHBondContact CE2-O 3.5Å; F372-A398 HydrophobicContact CE1-CB 4.41Å; F372-A398 HydrophobicContact CZ-CB 4.46Å; A398-V400 VanDerWaalsContact C-N 3.3Å; A398-V400 PolarHBondContact O-N 3.42Å
399	G	88.9	Confident	91.4	Very high	14 Å²	14	23.9 Å²	23.9	14%	0.144	14%	0.136	C	C	.	.	S	Bend	trans	66.4	24.9	174.3	0	0	0	0	0	115	L412 S413	G399-L412 PolarHBondContact N-O 3.2Å; G399-S413 PolarHBondContact N-OG 2.77Å
400	V	90.4	Very high	91.1	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.006	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	134.7	-178	172.7	0	0	0	0	110.4	V195 F254 V258 Y396 A398 A411 L412 V417 V421	V195-V400 HydrophobicContact CB-CG1 4.4Å; V195-V400 HydrophobicContact CG2-CB 4.14Å; V195-V400 HydrophobicContact CG2-CG1 3.65Å; V195-V400 HydrophobicContact CG2-CG2 3.85Å; F254-V400 HydrophobicContact CZ-CG1 4.48Å; F254-V400 WeakPolarHBondContact CZ-O 3.4Å; V258-V400 HydrophobicContact CG2-CG1 4.35Å; Y396-V400 WeakPolarHBondContact O-CG2 3.18Å; A398-V400 VanDerWaalsContact C-N 3.3Å; A398-V400 PolarHBondContact O-N 3.42Å; V400-A411 VanDerWaalsContact O-CA 3.27Å; V400-A411 WeakPolarHBondContact O-CA 3.3Å; V400-L412 PolarHBondContact N-O 2.03Å; V400-L412 PolarHBondContact O-N 3.22Å; V400-V417 HydrophobicContact CB-CG1 3.43Å; V400-V417 VanDerWaalsContact CB-CG1 3.43Å; V400-V417 HydrophobicContact CG1-CG1 3.8Å; V400-V417 HydrophobicContact CG2-CG1 3.8Å; V400-V421 HydrophobicContact CG1-CG2 4.49Å
401	R	90.7	Very high	90.9	Very high	82 Å²	82	28 Å²	28	31%	0.309	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	127.1	177.6	-65.4	177.4	68.2	125	-1.7	111.2	R410 A411	R401-R410 CarbonylContact C-O 3.58Å; R401-R410 WeakPolarHBondContact CA-O 3.32Å; R401-A411 HydrophobicContact CG-CB 4.44Å
402	G	90.3	Very high	90.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	-179.3	176.8	0	0	0	0	0	111.8	F254 C409 R410	F254-G402 VanDerWaalsContact CE2-CA 3.47Å; F254-G402 VanDerWaalsContact CE2-N 3.32Å; G402-C409 CarbonylContact O-C 3.58Å; G402-C409 VanDerWaalsContact O-CA 3.28Å; G402-C409 WeakPolarHBondContact O-CA 3.35Å; G402-R410 PolarHBondContact N-O 3.09Å; G402-R410 PolarHBondContact O-N 3.14Å
403	S	91.2	Very high	90.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	133.6	-174.3	-59.7	0	0	0	0	112.2	H229 F254 G257	H229-S403 WeakPolarHBondContact ND1-CB 3.39Å; H229-S403 PolarHBondContact ND1-OG 3.02Å; F254-S403 VanDerWaalsContact CA-O 3.31Å; F254-S403 WeakPolarHBondContact CA-O 3.07Å; G257-S403 WeakPolarHBondContact CA-OG 3.23Å
404	G	88.1	Confident	89.8	Confident	12 Å²	12	28.5 Å²	28.5	12%	0.124	16%	0.156	C	C	.	.			trans	-91.1	151.6	171.1	0	0	0	0	0	112.3	H227 K406 G407 G408	H227-G404 PolarHBondContact NE2-O 2.68Å; G404-K406 VanDerWaalsContact C-N 3.26Å; G404-K406 PolarHBondContact O-N 3.02Å; G404-K406 VanDerWaalsContact O-N 3.12Å; G404-G407 PolarHBondContact O-N 3.18Å; G404-G408 PolarHBondContact N-O 3.04Å
405	V	85.3	Confident	89.4	Confident	55 Å²	55	28.5 Å²	28.5	33%	0.333	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-38.7	-175.5	-177.9	0	0	0	0	114.4	H227 G407	H227-V405 PolarHBondContact CD2-O 3.05Å; V405-G407 VanDerWaalsContact C-N 3.3Å; V405-G407 PolarHBondContact O-N 2.82Å
406	K	81.5	Confident	89	Confident	213 Å²	213	28.7 Å²	28.7	93%	0.926	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.4	18.9	-177.5	-62.3	-176.3	178.9	179.9	0	112.6	G404	G404-K406 VanDerWaalsContact C-N 3.26Å; G404-K406 PolarHBondContact O-N 3.02Å; G404-K406 VanDerWaalsContact O-N 3.12Å
407	G	81.8	Confident	88.8	Confident	21 Å²	21	28.1 Å²	28.1	22%	0.216	16%	0.155	C	C	.	.	S	Bend	trans	85.4	-177.5	-166.6	0	0	0	0	0	112.4	G404 V405	G404-G407 PolarHBondContact O-N 3.18Å; V405-G407 VanDerWaalsContact C-N 3.3Å; V405-G407 PolarHBondContact O-N 2.82Å
408	G	86.9	Confident	88.9	Confident	27 Å²	27	28.1 Å²	28.1	28%	0.278	16%	0.155	S	C	.	.	S	Bend	trans	74.3	176.6	-176.8	0	0	0	0	0	113.6	H229 E264 G404	H229-G408 PolarHBondContact CE1-O 3.07Å; H229-G408 VanDerWaalsContact CE1-O 3.3Å; E264-G408 VanDerWaalsContact OE2-CA 3.29Å; E264-G408 WeakPolarHBondContact OE2-CA 3.21Å; G404-G408 PolarHBondContact N-O 3.04Å
409	C	88.5	Confident	89	Confident	32 Å²	32	27.1 Å²	27.1	22%	0.216	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	137.7	174.6	-54.5	0	0	0	0	112	C265 G402	C265-C409 HydrophobicContact CB-CB 4.07Å; C265-C409 WeakPolarHBondContact CB-SG 3.49Å; C265-C409 PolarHBondContact N-SG 3.39Å; C265-C409 VanDerWaalsContact N-SG 3.42Å; C265-C409 WeakPolarHBondContact SG-CA 3.46Å; C265-C409 WeakPolarHBondContact SG-CB 3.35Å; C265-C409 CovalentContact SG-SG 2.02Å; C265-C409 PolarHBondContact SG-SG 2.86Å; G402-C409 CarbonylContact O-C 3.58Å; G402-C409 VanDerWaalsContact O-CA 3.28Å; G402-C409 WeakPolarHBondContact O-CA 3.35Å
410	R	88.7	Confident	89.4	Confident	83 Å²	83	26.4 Å²	26.4	31%	0.313	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	148.5	168.9	-178.7	174.2	176.2	-175.5	-4.5	109.7	Y140 F254 R401 G402	Y140-R410 VanDerWaalsContact CE1-NH2 3.29Å; F254-R410 WeakPolarHBondContact CE2-O 3.33Å; R401-R410 CarbonylContact C-O 3.58Å; R401-R410 WeakPolarHBondContact CA-O 3.32Å; G402-R410 PolarHBondContact N-O 3.09Å; G402-R410 PolarHBondContact O-N 3.14Å
411	A	89.1	Confident	89.7	Confident	10 Å²	10	26.4 Å²	26.4	8%	0.083	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	133.4	172.1	0	0	0	0	0	110.7	V400 R401	V400-A411 VanDerWaalsContact O-CA 3.27Å; V400-A411 WeakPolarHBondContact O-CA 3.3Å; R401-A411 HydrophobicContact CG-CB 4.44Å
412	L	88.8	Confident	90	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.01	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	154.4	174.5	-66.2	-179.8	0	0	0	110.8	L43 Y140 F254 G399 V400 V417	L43-L412 HydrophobicContact CB-CD2 4.05Å; Y140-L412 HydrophobicContact CD1-CD2 3.87Å; Y140-L412 HydrophobicContact CE1-CD1 4.28Å; Y140-L412 HydrophobicContact CE1-CD2 3.69Å; F254-L412 HydrophobicContact CB-CD1 4.26Å; F254-L412 HydrophobicContact CD1-CD1 3.9Å; F254-L412 HydrophobicContact CD2-CD1 3.66Å; F254-L412 HydrophobicContact CD2-CG 4.01Å; F254-L412 HydrophobicContact CE1-CB 4.24Å; F254-L412 HydrophobicContact CE1-CD1 4.14Å; F254-L412 HydrophobicContact CE2-CB 3.9Å; F254-L412 HydrophobicContact CE2-CD1 3.88Å; F254-L412 HydrophobicContact CE2-CG 3.79Å; F254-L412 HydrophobicContact CG-CD1 3.67Å; F254-L412 HydrophobicContact CG-CG 4.48Å; F254-L412 HydrophobicContact CZ-CB 3.75Å; F254-L412 HydrophobicContact CZ-CD1 4.14Å; F254-L412 HydrophobicContact CZ-CG 4.12Å; G399-L412 PolarHBondContact N-O 3.2Å; V400-L412 PolarHBondContact N-O 2.03Å; V400-L412 PolarHBondContact O-N 3.22Å; L412-V417 HydrophobicContact CB-CG2 3.82Å
413	S	89.8	Confident	90.4	Very high	12 Å²	12	22.5 Å²	22.5	8%	0.084	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	133.8	171.6	-57	0	0	0	0	111	L43 L45 G397 G399	L43-S413 PolarHBondContact O-N 3.47Å; L45-S413 VanDerWaalsContact CB-O 3.3Å; L45-S413 WeakPolarHBondContact CB-O 3.48Å; L45-S413 PolarHBondContact N-O 2.71Å; G397-S413 CarbonylContact O-C 3.59Å; G397-S413 VanDerWaalsContact O-CA 3.23Å; G397-S413 WeakPolarHBondContact O-CA 2.81Å; G399-S413 PolarHBondContact N-OG 2.77Å
414	G	89.8	Confident	90.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	162.9	160.9	176.2	0	0	0	0	0	112.2	F372 G397 S416 V417 A418	F372-G414 VanDerWaalsContact CE2-C 3.48Å; F372-G414 VanDerWaalsContact CE2-CA 3.43Å; G397-G414 PolarHBondContact O-N 2.82Å; G414-S416 PolarHBondContact O-N 3.43Å; G414-V417 WeakPolarHBondContact O-CA 3.32Å; G414-V417 VanDerWaalsContact O-CB 3.23Å; G414-V417 WeakPolarHBondContact O-CB 3.35Å; G414-V417 PolarHBondContact O-N 2.95Å; G414-A418 PolarHBondContact O-N 2.5Å
415	T	89.5	Confident	91.1	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.006	12%	0.119	C	C	.	.	H	α-helix	trans	-69.5	-25.1	171.5	54.1	0	0	0	0	112	A337 I338 G339 N340 F372 V417 A418 S419	A337-T415 VanDerWaalsContact CB-C 3.41Å; A337-T415 WeakPolarHBondContact CB-O 3.33Å; I338-T415 HydrophobicContact CG2-CG2 3.98Å; G339-T415 VanDerWaalsContact C-OG1 3.23Å; G339-T415 PolarHBondContact N-OG1 2.94Å; G339-T415 WeakPolarHBondContact O-CB 3.49Å; G339-T415 WeakPolarHBondContact O-CG2 3.44Å; G339-T415 PolarHBondContact O-OG1 3.17Å; N340-T415 PolarHBondContact OD1-N 2.8Å; N340-T415 PolarHBondContact OD1-OG1 2.98Å; F372-T415 HydrophobicContact CD2-CG2 4.23Å; F372-T415 HydrophobicContact CE2-CG2 4.06Å; T415-V417 PolarHBondContact O-N 3.29Å; T415-V417 VanDerWaalsContact O-N 3.14Å; T415-A418 PolarHBondContact O-N 3.09Å; T415-S419 PolarHBondContact O-N 2.91Å
416	S	87.8	Confident	91.6	Very high	4 Å²	4	19.3 Å²	19.3	3%	0.028	10%	0.103	C	C	.	.	H	α-helix	trans	-59.9	-17.8	166.6	61.1	0	0	0	0	113.6	L45 S309 G414 P420	L45-S416 WeakPolarHBondContact CD2-OG 3.45Å; S309-S416 WeakPolarHBondContact CB-O 3.48Å; S309-S416 PolarHBondContact OG-O 2.58Å; G414-S416 PolarHBondContact O-N 3.43Å; S416-P420 WeakPolarHBondContact O-CD 3.39Å; S416-P420 WeakPolarHBondContact O-CG 3.15Å
417	V	92.3	Very high	92.4	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-93.5	-32.6	173.3	179.6	0	0	0	0	111.6	F254 V400 L412 G414 T415 P420 V421	F254-V417 HydrophobicContact CE1-CB 4.13Å; F254-V417 HydrophobicContact CE1-CG1 3.6Å; F254-V417 HydrophobicContact CE1-CG2 3.74Å; F254-V417 HydrophobicContact CZ-CG1 3.78Å; F254-V417 HydrophobicContact CZ-CG2 4.25Å; V400-V417 HydrophobicContact CB-CG1 3.43Å; V400-V417 VanDerWaalsContact CB-CG1 3.43Å; V400-V417 HydrophobicContact CG1-CG1 3.8Å; V400-V417 HydrophobicContact CG2-CG1 3.8Å; L412-V417 HydrophobicContact CB-CG2 3.82Å; G414-V417 WeakPolarHBondContact O-CA 3.32Å; G414-V417 VanDerWaalsContact O-CB 3.23Å; G414-V417 WeakPolarHBondContact O-CB 3.35Å; G414-V417 PolarHBondContact O-N 2.95Å; T415-V417 PolarHBondContact O-N 3.29Å; T415-V417 VanDerWaalsContact O-N 3.14Å; V417-P420 VanDerWaalsContact O-CD 3.29Å; V417-P420 WeakPolarHBondContact O-CD 3.41Å; V417-P420 VanDerWaalsContact O-CG 3.29Å; V417-P420 WeakPolarHBondContact O-CG 3.3Å; V417-V421 WeakPolarHBondContact O-CG2 3.23Å
418	A	95.1	Very high	93.1	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-69.5	-39	174	0	0	0	0	0	112.4	V360 T395 G414 T415 V421 V422	V360-A418 HydrophobicContact CG1-CB 3.85Å; T395-A418 HydrophobicContact CG2-CB 3.82Å; T395-A418 VanDerWaalsContact CG2-O 3.3Å; T395-A418 WeakPolarHBondContact CG2-O 3.46Å; G414-A418 PolarHBondContact O-N 2.5Å; T415-A418 PolarHBondContact O-N 3.09Å; A418-V421 WeakPolarHBondContact O-CB 3.26Å; A418-V421 PolarHBondContact O-N 3.24Å; A418-V422 PolarHBondContact O-N 2.6Å
419	S	95.6	Very high	93.5	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-52.1	-53.2	176.5	-177.1	0	0	0	0	113.6	N307 T415 V421 V422 A423	N307-S419 PolarHBondContact OD1-OG 3.19Å; T415-S419 PolarHBondContact O-N 2.91Å; S419-V421 VanDerWaalsContact C-N 3.27Å; S419-V421 PolarHBondContact O-N 2.87Å; S419-V422 PolarHBondContact O-N 2.86Å; S419-V422 VanDerWaalsContact O-N 3.09Å; S419-A423 PolarHBondContact O-N 3.38Å
420	P	96	Very high	93.7	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-69.5	-21.3	-180	24.8	-33.9	0	0	0	114	V255 V258 I259 N307 S309 S416 V417 G424	V255-P420 HydrophobicContact CG1-CB 3.91Å; V255-P420 HydrophobicContact CG1-CG 4.24Å; V255-P420 HydrophobicContact CG2-CG 4.36Å; V258-P420 HydrophobicContact CB-CB 4.14Å; V258-P420 HydrophobicContact CB-CG 4.36Å; V258-P420 HydrophobicContact CG1-CB 4.12Å; V258-P420 HydrophobicContact CG1-CG 4.33Å; I259-P420 HydrophobicContact CD1-CB 4.1Å; I259-P420 HydrophobicContact CG1-CB 3.87Å; I259-P420 WeakPolarHBondContact CG1-O 3.42Å; N307-P420 WeakPolarHBondContact OD1-CA 3.39Å; S309-P420 WeakPolarHBondContact OG-CD 3.31Å; S416-P420 WeakPolarHBondContact O-CD 3.39Å; S416-P420 WeakPolarHBondContact O-CG 3.15Å; V417-P420 VanDerWaalsContact O-CD 3.29Å; V417-P420 WeakPolarHBondContact O-CD 3.41Å; V417-P420 VanDerWaalsContact O-CG 3.29Å; V417-P420 WeakPolarHBondContact O-CG 3.3Å; P420-G424 PolarHBondContact O-N 3.42Å
421	V	96.9	Very high	93.9	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-63.1	-46.2	169.8	171.5	0	0	0	0	109.6	V195 L199 V258 F268 T395 V400 V417 A418 S419 A425	V195-V421 HydrophobicContact CG1-CG1 3.75Å; V195-V421 HydrophobicContact CG1-CG2 3.89Å; L199-V421 HydrophobicContact CD1-CG1 3.67Å; V258-V421 HydrophobicContact CG1-CB 4.37Å; V258-V421 HydrophobicContact CG1-CG2 3.63Å; F268-V421 HydrophobicContact CE2-CB 4.27Å; F268-V421 HydrophobicContact CE2-CG1 3.77Å; F268-V421 HydrophobicContact CE2-CG2 4.44Å; F268-V421 HydrophobicContact CZ-CG1 3.73Å; T395-V421 HydrophobicContact CG2-CB 3.86Å; T395-V421 HydrophobicContact CG2-CG1 3.78Å; T395-V421 WeakPolarHBondContact OG1-CG1 3.44Å; V400-V421 HydrophobicContact CG1-CG2 4.49Å; V417-V421 WeakPolarHBondContact O-CG2 3.23Å; A418-V421 WeakPolarHBondContact O-CB 3.26Å; A418-V421 PolarHBondContact O-N 3.24Å; S419-V421 VanDerWaalsContact C-N 3.27Å; S419-V421 PolarHBondContact O-N 2.87Å; V421-A425 WeakPolarHBondContact O-CB 3.38Å; V421-A425 PolarHBondContact O-N 3.41Å
422	V	97.8	Very high	94	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-69.2	-43	175.4	177.5	0	0	0	0	111.1	V335 I358 V360 I393 T395 A418 S419 G424 A425 V426 L448 L468	V335-V422 HydrophobicContact CG1-CB 3.98Å; V335-V422 HydrophobicContact CG1-CG1 3.96Å; I358-V422 HydrophobicContact CG2-CG1 4.19Å; V360-V422 HydrophobicContact CB-CG2 4.27Å; V360-V422 HydrophobicContact CG1-CB 4.47Å; V360-V422 HydrophobicContact CG1-CG2 3.55Å; V360-V422 HydrophobicContact CG2-CB 3.83Å; V360-V422 HydrophobicContact CG2-CG1 4.09Å; V360-V422 HydrophobicContact CG2-CG2 3.65Å; I393-V422 HydrophobicContact CD1-CG1 4.06Å; I393-V422 HydrophobicContact CD1-CG2 3.91Å; T395-V422 HydrophobicContact CG2-CG2 3.74Å; A418-V422 PolarHBondContact O-N 2.6Å; S419-V422 PolarHBondContact O-N 2.86Å; S419-V422 VanDerWaalsContact O-N 3.09Å; V422-G424 VanDerWaalsContact C-N 3.31Å; V422-G424 PolarHBondContact O-N 2.85Å; V422-A425 CarbonylContact O-C 3.5Å; V422-A425 WeakPolarHBondContact O-CB 3.32Å; V422-A425 PolarHBondContact O-N 2.98Å; V422-A425 VanDerWaalsContact O-N 3.17Å; V422-V426 HydrophobicContact CG1-CG2 4.07Å; V422-V426 WeakPolarHBondContact O-CB 3.18Å; V422-V426 VanDerWaalsContact O-CG2 3.31Å; V422-V426 WeakPolarHBondContact O-CG2 3.31Å; V422-V426 PolarHBondContact O-N 3Å; V422-L448 HydrophobicContact CG1-CD1 4.31Å; V422-L468 HydrophobicContact CG2-CD2 4.32Å
423	A	97.7	Very high	93.9	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-60.8	-40.2	178.4	0	0	0	0	0	112.3	I259 V305 N307 V335 S419 V426 T427	I259-A423 HydrophobicContact CD1-CB 4.16Å; I259-A423 HydrophobicContact CG1-CB 4.41Å; V305-A423 HydrophobicContact CG1-CB 4.47Å; N307-A423 HydrophobicContact CB-CB 3.74Å; V335-A423 HydrophobicContact CB-CB 4.15Å; V335-A423 HydrophobicContact CG1-CB 4.39Å; V335-A423 HydrophobicContact CG2-CB 4.23Å; S419-A423 PolarHBondContact O-N 3.38Å; A423-V426 PolarHBondContact O-N 2.83Å; A423-T427 WeakPolarHBondContact O-CB 3Å; A423-T427 PolarHBondContact O-N 3.04Å; A423-T427 PolarHBondContact O-OG1 2.79Å
424	G	96.8	Very high	93.2	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-64.6	-44.2	173	0	0	0	0	0	112.6	F268 P420 V422 T427 L428	F268-G424 WeakPolarHBondContact CB-O 3.29Å; P420-G424 PolarHBondContact O-N 3.42Å; V422-G424 VanDerWaalsContact C-N 3.31Å; V422-G424 PolarHBondContact O-N 2.85Å; G424-T427 WeakPolarHBondContact O-CB 3.36Å; G424-T427 PolarHBondContact O-N 3.18Å; G424-L428 WeakPolarHBondContact O-CB 3.19Å; G424-L428 PolarHBondContact O-N 2.77Å
425	A	97.2	Very high	92.7	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-60.8	-45.4	174.2	0	0	0	0	0	112.2	F268 V421 V422 L428 L429 L468 L470	F268-A425 HydrophobicContact CD1-CB 4.21Å; F268-A425 HydrophobicContact CE1-CB 4.38Å; V421-A425 WeakPolarHBondContact O-CB 3.38Å; V421-A425 PolarHBondContact O-N 3.41Å; V422-A425 CarbonylContact O-C 3.5Å; V422-A425 WeakPolarHBondContact O-CB 3.32Å; V422-A425 PolarHBondContact O-N 2.98Å; V422-A425 VanDerWaalsContact O-N 3.17Å; A425-L428 WeakPolarHBondContact O-CB 3.44Å; A425-L428 PolarHBondContact O-N 3.19Å; A425-L429 WeakPolarHBondContact O-CB 3.4Å; A425-L429 VanDerWaalsContact O-CG 3.26Å; A425-L429 WeakPolarHBondContact O-CG 3.1Å; A425-L429 PolarHBondContact O-N 3.41Å; A425-L468 HydrophobicContact CB-CD2 3.76Å; A425-L470 HydrophobicContact CB-CD1 3.99Å
426	V	97.3	Very high	92.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-60.5	-46.2	175.4	168.2	0	0	0	0	110.5	V305 I333 V422 A423 L428 L429 V430 M444 L448	V305-V426 HydrophobicContact CG1-CG1 4.16Å; V305-V426 HydrophobicContact CG2-CG1 3.84Å; I333-V426 HydrophobicContact CD1-CG1 4.2Å; I333-V426 HydrophobicContact CG2-CG1 3.99Å; V422-V426 HydrophobicContact CG1-CG2 4.07Å; V422-V426 WeakPolarHBondContact O-CB 3.18Å; V422-V426 VanDerWaalsContact O-CG2 3.31Å; V422-V426 WeakPolarHBondContact O-CG2 3.31Å; V422-V426 PolarHBondContact O-N 3Å; A423-V426 PolarHBondContact O-N 2.83Å; V426-L428 VanDerWaalsContact C-N 3.29Å; V426-L428 PolarHBondContact O-N 2.65Å; V426-L429 WeakPolarHBondContact O-CB 3.39Å; V426-L429 PolarHBondContact O-N 2.95Å; V426-L429 VanDerWaalsContact O-N 3.13Å; V426-V430 HydrophobicContact CG1-CG2 4.16Å; V426-V430 VanDerWaalsContact O-CG2 3.26Å; V426-V430 WeakPolarHBondContact O-CG2 3.36Å; V426-V430 PolarHBondContact O-N 3.2Å; V426-M444 HydrophobicContact CG1-CE 4.21Å; V426-M444 HydrophobicContact CG1-CG 3.95Å; V426-M444 HydrophobicContact CG1-SD 4.14Å; V426-M444 HydrophobicContact CG2-CG 4.07Å; V426-M444 HydrophobicContact CG2-SD 4.11Å; V426-L448 HydrophobicContact CG2-CD1 3.85Å
427	T	96.9	Very high	91.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-56.7	-45.4	176.5	-58.3	0	0	0	0	111.5	V214 V216 A269 A272 A423 G424 V430 S431	V214-T427 HydrophobicContact CB-CG2 4Å; V214-T427 HydrophobicContact CG1-CG2 3.8Å; V216-T427 HydrophobicContact CG2-CG2 3.27Å; V216-T427 WeakPolarHBondContact CG2-OG1 3.36Å; A269-T427 HydrophobicContact CB-CG2 3.43Å; A269-T427 VanDerWaalsContact CB-CG2 3.43Å; A272-T427 HydrophobicContact CB-CG2 3.68Å; A423-T427 WeakPolarHBondContact O-CB 3Å; A423-T427 PolarHBondContact O-N 3.04Å; A423-T427 PolarHBondContact O-OG1 2.79Å; G424-T427 WeakPolarHBondContact O-CB 3.36Å; G424-T427 PolarHBondContact O-N 3.18Å; T427-V430 PolarHBondContact O-N 2.95Å; T427-S431 PolarHBondContact O-N 3.26Å
428	L	95.8	Very high	90.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62.7	-45.8	176.6	-176.9	60.6	0	0	0	111	A201 L204 Y209 A269 G424 A425 V426 S431 T432 L470	A201-L428 HydrophobicContact CB-CD2 3.92Å; L204-L428 HydrophobicContact CB-CD1 4.46Å; L204-L428 HydrophobicContact CB-CD2 4.08Å; L204-L428 HydrophobicContact CB-CG 4.35Å; L204-L428 HydrophobicContact CD1-CD2 3.79Å; L204-L428 HydrophobicContact CD1-CG 3.93Å; Y209-L428 VanDerWaalsContact O-CD1 3.27Å; Y209-L428 WeakPolarHBondContact O-CD1 3.35Å; A269-L428 HydrophobicContact CB-CB 4.49Å; G424-L428 WeakPolarHBondContact O-CB 3.19Å; G424-L428 PolarHBondContact O-N 2.77Å; A425-L428 WeakPolarHBondContact O-CB 3.44Å; A425-L428 PolarHBondContact O-N 3.19Å; V426-L428 VanDerWaalsContact C-N 3.29Å; V426-L428 PolarHBondContact O-N 2.65Å; L428-S431 WeakPolarHBondContact O-CB 3.26Å; L428-S431 PolarHBondContact O-N 3.07Å; L428-S431 PolarHBondContact O-OG 2.94Å; L428-T432 WeakPolarHBondContact O-CG2 3.36Å; L428-T432 PolarHBondContact O-N 3.33Å; L428-L470 HydrophobicContact CD2-CD2 4.12Å
429	L	95.4	Very high	90.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.7	-44.2	177.4	-71.5	172.2	0	0	0	112.8	L204 A425 V426 S431 T432 M444 L448 L470 A473 L477	L204-L429 HydrophobicContact CD1-CD2 4.5Å; A425-L429 WeakPolarHBondContact O-CB 3.4Å; A425-L429 VanDerWaalsContact O-CG 3.26Å; A425-L429 WeakPolarHBondContact O-CG 3.1Å; A425-L429 PolarHBondContact O-N 3.41Å; V426-L429 WeakPolarHBondContact O-CB 3.39Å; V426-L429 PolarHBondContact O-N 2.95Å; V426-L429 VanDerWaalsContact O-N 3.13Å; L429-S431 PolarHBondContact O-N 3.33Å; L429-T432 WeakPolarHBondContact O-CB 3.44Å; L429-T432 PolarHBondContact O-N 3.13Å; L429-T432 PolarHBondContact O-OG1 3.37Å; L429-M444 HydrophobicContact CB-CE 4.18Å; L429-M444 HydrophobicContact CB-SD 4.47Å; L429-M444 HydrophobicContact CD1-SD 4.22Å; L429-L448 HydrophobicContact CD1-CD2 4.11Å; L429-L470 HydrophobicContact CD1-CD1 4.05Å; L429-L470 HydrophobicContact CD2-CD1 3.82Å; L429-L470 HydrophobicContact CG-CD1 3.72Å; L429-A473 HydrophobicContact CD1-CB 3.73Å; L429-A473 HydrophobicContact CD2-CB 4.27Å; L429-L477 HydrophobicContact CB-CD1 3.78Å; L429-L477 HydrophobicContact CD1-CD1 4.15Å; L429-L477 HydrophobicContact CD2-CD1 4.22Å; L429-L477 HydrophobicContact CG-CD1 4.27Å
430	V	94.6	Very high	90.3	Very high	9 Å²	9	33.8 Å²	33.8	6%	0.055	16%	0.158	C	C	.	.	H	α-helix	trans	-57.5	-37.9	175.4	173	0	0	0	0	110.5	V214 V305 I333 V426 T427 T432 V433 V439 M444	V214-V430 HydrophobicContact CG1-CB 4.24Å; V214-V430 HydrophobicContact CG1-CG1 3.95Å; V214-V430 HydrophobicContact CG2-CB 4.27Å; V214-V430 HydrophobicContact CG2-CG1 3.91Å; V305-V430 HydrophobicContact CG2-CG2 4.24Å; I333-V430 HydrophobicContact CD1-CG2 3.96Å; V426-V430 HydrophobicContact CG1-CG2 4.16Å; V426-V430 VanDerWaalsContact O-CG2 3.26Å; V426-V430 WeakPolarHBondContact O-CG2 3.36Å; V426-V430 PolarHBondContact O-N 3.2Å; T427-V430 PolarHBondContact O-N 2.95Å; V430-T432 PolarHBondContact O-N 3.14Å; V430-V433 PolarHBondContact O-N 3.49Å; V430-V439 HydrophobicContact CG2-CG1 4.18Å; V430-M444 HydrophobicContact CG2-CE 3.73Å
431	S	92.6	Very high	90.2	Very high	19 Å²	19	34 Å²	34	13%	0.133	16%	0.16	C	C	.	.	H	α-helix	trans	-67.6	-18.6	177.2	80.2	0	0	0	0	114.1	Y209 G211 T427 L428 L429	Y209-S431 WeakPolarHBondContact CD1-O 3.44Å; G211-S431 PolarHBondContact N-OG 3.04Å; T427-S431 PolarHBondContact O-N 3.26Å; L428-S431 WeakPolarHBondContact O-CB 3.26Å; L428-S431 PolarHBondContact O-N 3.07Å; L428-S431 PolarHBondContact O-OG 2.94Å; L429-S431 PolarHBondContact O-N 3.33Å
432	T	89.9	Confident	90.1	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.018	16%	0.161	C	C	.	.	H	α-helix	trans	-81.6	-24.2	-180	73.2	0	0	0	0	113.9	Y209 L428 L429 V430 Y474	Y209-T432 HydrophobicContact CD1-CG2 4.08Å; Y209-T432 HydrophobicContact CD2-CG2 3.83Å; Y209-T432 HydrophobicContact CE2-CG2 4.33Å; Y209-T432 HydrophobicContact CG-CG2 3.68Å; L428-T432 WeakPolarHBondContact O-CG2 3.36Å; L428-T432 PolarHBondContact O-N 3.33Å; L429-T432 WeakPolarHBondContact O-CB 3.44Å; L429-T432 PolarHBondContact O-N 3.13Å; L429-T432 PolarHBondContact O-OG1 3.37Å; V430-T432 PolarHBondContact O-N 3.14Å; T432-Y474 HydrophobicContact CG2-CD2 3.81Å; T432-Y474 HydrophobicContact CG2-CE2 4.02Å; T432-Y474 WeakPolarHBondContact OG1-CD2 3.28Å
433	V	86.4	Confident	89.9	Confident	16 Å²	16	34.1 Å²	34.1	10%	0.097	16%	0.161	C	C	.	.			trans	-86.5	119.6	-171.8	-174.7	0	0	0	0	110.3	V430 K435 V439 L477	V430-V433 PolarHBondContact O-N 3.49Å; V433-K435 WeakPolarHBondContact CG1-O 3.42Å; V433-V439 HydrophobicContact CB-CG2 3.79Å; V433-V439 HydrophobicContact CG1-CG2 3.67Å; V433-V439 HydrophobicContact CG2-CG2 3.79Å; V433-L477 HydrophobicContact CG2-CB 4.08Å
434	Q	76.1	Confident	89.8	Confident	177 Å²	177	34.1 Å²	34.1	83%	0.827	16%	0.161	S	C	*	.	S	Bend	trans	-68.2	-39.2	-179.7	-64.8	-179.6	2.7	0	0	112.5	R436	Q434-R436 PolarHBondContact O-N 3.21Å
435	K	79.3	Confident	89.8	Confident	149 Å²	149	34.4 Å²	34.4	65%	0.648	16%	0.162	S	C	*	.			trans	-96.4	85	176.6	-69.1	-175.7	179	-175.1	0	110.3	V433 E437 L438	V433-K435 WeakPolarHBondContact CG1-O 3.42Å; K435-E437 PolarHBondContact O-N 3.44Å; K435-L438 HydrophobicContact CB-CD1 3.88Å; K435-L438 HydrophobicContact CB-CG 4.12Å; K435-L438 HydrophobicContact CD-CD1 3.99Å; K435-L438 PolarHBondContact O-N 3.03Å; K435-L438 VanDerWaalsContact O-N 3.15Å
436	R	78.7	Confident	89.7	Confident	97 Å²	97	34.6 Å²	34.6	37%	0.366	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-59.4	-28.7	-177.6	-69.7	-171.1	174	-164.7	-2.3	114	N213 Q434 L438 V439	N213-R436 VanDerWaalsContact O-CZ 3.26Å; N213-R436 PolarHBondContact O-NH1 3.46Å; N213-R436 PolarHBondContact O-NH2 3.23Å; Q434-R436 PolarHBondContact O-N 3.21Å; R436-L438 PolarHBondContact O-N 3.32Å; R436-L438 VanDerWaalsContact O-N 3.13Å; R436-V439 PolarHBondContact O-N 3.25Å
437	E	74.3	Confident	89.6	Confident	155 Å²	155	34.6 Å²	34.6	72%	0.724	16%	0.163	S	C	*	.	G	3₁₀ helix	trans	-61.4	-18.6	178	-61.7	170.8	-169.9	0	0	113.6	K435	K435-E437 PolarHBondContact O-N 3.44Å
438	L	76.9	Confident	89.6	Confident	60 Å²	60	34.7 Å²	34.7	31%	0.314	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-86.7	-12	176.5	-60.5	176.7	0	0	0	113.1	K435 R436 S443 P482	K435-L438 HydrophobicContact CB-CD1 3.88Å; K435-L438 HydrophobicContact CB-CG 4.12Å; K435-L438 HydrophobicContact CD-CD1 3.99Å; K435-L438 PolarHBondContact O-N 3.03Å; K435-L438 VanDerWaalsContact O-N 3.15Å; R436-L438 PolarHBondContact O-N 3.32Å; R436-L438 VanDerWaalsContact O-N 3.13Å; L438-S443 PolarHBondContact O-OG 3.34Å; L438-P482 HydrophobicContact CD2-CG 3.86Å
439	V	87.3	Confident	89.5	Confident	20 Å²	20	35 Å²	35	12%	0.121	17%	0.165	C	C	.	.			trans	-98.8	108.3	-177.4	-172.4	0	0	0	0	108.8	I333 V430 V433 R436 S443 M444	I333-V439 HydrophobicContact CD1-CG1 4.05Å; V430-V439 HydrophobicContact CG2-CG1 4.18Å; V433-V439 HydrophobicContact CB-CG2 3.79Å; V433-V439 HydrophobicContact CG1-CG2 3.67Å; V433-V439 HydrophobicContact CG2-CG2 3.79Å; R436-V439 PolarHBondContact O-N 3.25Å; V439-S443 WeakPolarHBondContact CA-OG 3.17Å; V439-M444 HydrophobicContact CG1-CE 3.69Å
440	N	92	Very high	89.4	Confident	4 Å²	4	35.6 Å²	35.6	2%	0.021	17%	0.17	C	C	.	.			trans	-129.2	173.4	177.1	62.5	47	0	0	0	108.9	N331 A442 S443 M444 G523 W560	N331-N440 WeakPolarHBondContact OD1-CB 3.42Å; N440-A442 VanDerWaalsContact C-N 3.31Å; N440-A442 PolarHBondContact O-N 3.49Å; N440-A442 PolarHBondContact OD1-N 3.22Å; N440-S443 PolarHBondContact N-OG 3.06Å; N440-S443 PolarHBondContact O-N 3.15Å; N440-S443 PolarHBondContact O-OG 2.92Å; N440-S443 PolarHBondContact OD1-N 3.36Å; N440-S443 PolarHBondContact OD1-OG 3.23Å; N440-M444 WeakPolarHBondContact O-CB 3.37Å; N440-M444 PolarHBondContact O-N 3.48Å; N440-G523 PolarHBondContact ND2-O 3.13Å; N440-G523 VanDerWaalsContact ND2-O 3.12Å; N440-W560 HydrophobicContact CB-CH2 3.63Å; N440-W560 HydrophobicContact CB-CZ2 4.03Å; N440-W560 HydrophobicContact CB-CZ3 3.95Å
441	P	94.9	Very high	89.3	Confident	5 Å²	5	35.2 Å²	35.2	3%	0.032	17%	0.167	C	C	.	.	H	α-helix	trans	-55.5	-42.5	-178.5	-29.6	38.3	0	0	0	113.7	V332 I333 K445 W560	V332-P441 WeakPolarHBondContact O-CG 3.39Å; I333-P441 HydrophobicContact CG1-CG 4.39Å; P441-K445 VanDerWaalsContact O-CB 3.23Å; P441-K445 WeakPolarHBondContact O-CB 3.25Å; P441-K445 PolarHBondContact O-N 3.21Å; P441-W560 HydrophobicContact CB-CG 4.48Å
442	A	94.6	Very high	89.4	Confident	2 Å²	2	34.7 Å²	34.7	2%	0.017	16%	0.164	C	C	.	.	H	α-helix	trans	-66.9	-48.5	176.9	0	0	0	0	0	112.6	N440 M444 K445 Q446 N522 W560	N440-A442 VanDerWaalsContact C-N 3.31Å; N440-A442 PolarHBondContact O-N 3.49Å; N440-A442 PolarHBondContact OD1-N 3.22Å; A442-M444 VanDerWaalsContact C-N 3.34Å; A442-M444 PolarHBondContact O-N 2.96Å; A442-K445 PolarHBondContact O-N 3.37Å; A442-Q446 WeakPolarHBondContact O-CB 3.45Å; A442-Q446 WeakPolarHBondContact O-CG 3.21Å; A442-Q446 PolarHBondContact O-N 3.26Å; A442-N522 WeakPolarHBondContact CB-O 3.34Å; A442-W560 HydrophobicContact CB-CB 3.8Å; A442-W560 HydrophobicContact CB-CD2 4.42Å; A442-W560 HydrophobicContact CB-CE3 4.15Å; A442-W560 HydrophobicContact CB-CG 4.33Å
443	S	93.8	Very high	89.6	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.6	-38.3	-176.8	64.9	0	0	0	0	112.4	L438 V439 N440 Q446 A447 Y480	L438-S443 PolarHBondContact O-OG 3.34Å; V439-S443 WeakPolarHBondContact CA-OG 3.17Å; N440-S443 PolarHBondContact N-OG 3.06Å; N440-S443 PolarHBondContact O-N 3.15Å; N440-S443 PolarHBondContact O-OG 2.92Å; N440-S443 PolarHBondContact OD1-N 3.36Å; N440-S443 PolarHBondContact OD1-OG 3.23Å; S443-Q446 PolarHBondContact O-N 2.86Å; S443-A447 PolarHBondContact O-N 3.25Å; S443-Y480 VanDerWaalsContact CB-OH 3.32Å; S443-Y480 WeakPolarHBondContact CB-OH 3.45Å
444	M	96.1	Very high	89.9	Confident	0 Å²	0	44 Å²	44	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63.2	-47.8	172	-177.4	58.9	61.5	0	0	111.1	I333 I358 V426 L429 V430 V439 N440 A442 Q446 A447 L448 L477	I333-M444 HydrophobicContact CD1-CB 3.92Å; I333-M444 HydrophobicContact CD1-CE 4.33Å; I333-M444 HydrophobicContact CD1-CG 4.12Å; I333-M444 HydrophobicContact CG2-CB 4.44Å; I333-M444 HydrophobicContact CG2-CG 4.21Å; I358-M444 HydrophobicContact CD1-CG 4.29Å; V426-M444 HydrophobicContact CG1-CE 4.21Å; V426-M444 HydrophobicContact CG1-CG 3.95Å; V426-M444 HydrophobicContact CG1-SD 4.14Å; V426-M444 HydrophobicContact CG2-CG 4.07Å; V426-M444 HydrophobicContact CG2-SD 4.11Å; L429-M444 HydrophobicContact CB-CE 4.18Å; L429-M444 HydrophobicContact CB-SD 4.47Å; L429-M444 HydrophobicContact CD1-SD 4.22Å; V430-M444 HydrophobicContact CG2-CE 3.73Å; V439-M444 HydrophobicContact CG1-CE 3.69Å; N440-M444 WeakPolarHBondContact O-CB 3.37Å; N440-M444 PolarHBondContact O-N 3.48Å; A442-M444 VanDerWaalsContact C-N 3.34Å; A442-M444 PolarHBondContact O-N 2.96Å; M444-Q446 VanDerWaalsContact C-N 3.33Å; M444-Q446 PolarHBondContact O-N 2.92Å; M444-A447 PolarHBondContact O-N 3.06Å; M444-L448 HydrophobicContact CG-CD1 4.24Å; M444-L448 WeakPolarHBondContact O-CG 2.99Å; M444-L448 PolarHBondContact O-N 3.47Å; M444-L448 HydrophobicContact SD-CG 4.35Å; M444-L477 HydrophobicContact CE-CD1 3.67Å; M444-L477 HydrophobicContact CE-CD2 4.33Å; M444-L477 HydrophobicContact SD-CD1 3.92Å
445	K	96.1	Very high	90.7	Very high	6 Å²	6	36.1 Å²	36.1	3%	0.026	16%	0.161	C	C	.	.	H	α-helix	trans	-59.4	-44.5	177.9	-175.9	165.7	-179.5	158.1	0	111.6	M355 V357 I358 D392 P441 A442 A447 L448 I449 L521	M355-K445 PolarHBondContact O-NZ 3.39Å; V357-K445 PolarHBondContact O-NZ 3.25Å; I358-K445 HydrophobicContact CG1-CB 4.22Å; I358-K445 HydrophobicContact CG1-CD 4.38Å; I358-K445 HydrophobicContact CG1-CG 4.35Å; D392-K445 WeakPolarHBondContact OD1-CE 3.46Å; D392-K445 IonicContact OD1-NZ 3.38Å; D392-K445 PolarHBondContact OD1-NZ 3.06Å; D392-K445 WeakPolarHBondContact OD2-CE 3.41Å; D392-K445 IonicContact OD2-NZ 3.96Å; D392-K445 PolarHBondContact OD2-NZ 3.42Å; P441-K445 VanDerWaalsContact O-CB 3.23Å; P441-K445 WeakPolarHBondContact O-CB 3.25Å; P441-K445 PolarHBondContact O-N 3.21Å; A442-K445 PolarHBondContact O-N 3.37Å; K445-A447 PolarHBondContact O-N 3.46Å; K445-L448 PolarHBondContact O-N 3.01Å; K445-I449 WeakPolarHBondContact O-CG1 3.33Å; K445-I449 WeakPolarHBondContact O-CG2 3.48Å; K445-I449 PolarHBondContact O-N 3.09Å; K445-L521 HydrophobicContact CD-CD1 4.48Å; K445-L521 HydrophobicContact CD-CD2 4.29Å; K445-L521 HydrophobicContact CG-CD1 4.25Å
446	Q	95.1	Very high	91.1	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.019	17%	0.168	C	C	.	.	H	α-helix	trans	-57.1	-45.1	174.6	-74.4	179.3	-25.1	0	0	112.3	A442 S443 M444 I449 A450 Y480 Q483 S485 L521	A442-Q446 WeakPolarHBondContact O-CB 3.45Å; A442-Q446 WeakPolarHBondContact O-CG 3.21Å; A442-Q446 PolarHBondContact O-N 3.26Å; S443-Q446 PolarHBondContact O-N 2.86Å; M444-Q446 VanDerWaalsContact C-N 3.33Å; M444-Q446 PolarHBondContact O-N 2.92Å; Q446-I449 VanDerWaalsContact O-CG1 3.31Å; Q446-I449 WeakPolarHBondContact O-CG1 3.47Å; Q446-A450 WeakPolarHBondContact O-CB 3.33Å; Q446-A450 PolarHBondContact O-N 2.77Å; Q446-Y480 PolarHBondContact OE1-OH 3.32Å; Q446-Q483 PolarHBondContact NE2-O 3.41Å; Q446-Q483 PolarHBondContact OE1-O 2.84Å; Q446-S485 VanDerWaalsContact CG-OG 3.31Å; Q446-S485 WeakPolarHBondContact CG-OG 3.44Å; Q446-S485 PolarHBondContact NE2-OG 3.34Å; Q446-S485 VanDerWaalsContact NE2-OG 3.1Å; Q446-L521 HydrophobicContact CG-CB 4.08Å; Q446-L521 HydrophobicContact CG-CD1 4.04Å; Q446-L521 PolarHBondContact NE2-O 2.89Å; Q446-L521 VanDerWaalsContact NE2-O 3.16Å
447	A	94.8	Very high	91.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-64.7	-41.9	178.7	0	0	0	0	0	112.2	S443 M444 K445 S451 I476 L477	S443-A447 PolarHBondContact O-N 3.25Å; M444-A447 PolarHBondContact O-N 3.06Å; K445-A447 PolarHBondContact O-N 3.46Å; A447-S451 VanDerWaalsContact O-CB 3.25Å; A447-S451 WeakPolarHBondContact O-CB 3.39Å; A447-S451 PolarHBondContact O-N 2.99Å; A447-S451 PolarHBondContact O-OG 3.38Å; A447-I476 HydrophobicContact CB-CB 4.43Å; A447-I476 HydrophobicContact CB-CG2 3.88Å; A447-L477 HydrophobicContact CB-CD1 4.35Å; A447-L477 HydrophobicContact CB-CD2 3.63Å; A447-L477 HydrophobicContact CB-CG 3.66Å
448	L	96.3	Very high	92.5	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.01	15%	0.153	C	C	.	.	H	α-helix	trans	-66.6	-45.5	178.9	-66.9	174.5	0	0	0	112.5	I358 I393 V422 V426 L429 M444 K445 S451 A452 L468 A473	I358-L448 HydrophobicContact CD1-CD1 3.88Å; I358-L448 HydrophobicContact CG2-CD1 4.24Å; I393-L448 HydrophobicContact CD1-CB 4.4Å; I393-L448 HydrophobicContact CD1-CD1 4.4Å; V422-L448 HydrophobicContact CG1-CD1 4.31Å; V426-L448 HydrophobicContact CG2-CD1 3.85Å; L429-L448 HydrophobicContact CD1-CD2 4.11Å; M444-L448 HydrophobicContact CG-CD1 4.24Å; M444-L448 WeakPolarHBondContact O-CG 2.99Å; M444-L448 PolarHBondContact O-N 3.47Å; M444-L448 HydrophobicContact SD-CG 4.35Å; K445-L448 PolarHBondContact O-N 3.01Å; L448-S451 PolarHBondContact O-N 3.46Å; L448-S451 PolarHBondContact O-OG 3.05Å; L448-A452 WeakPolarHBondContact O-CB 3.02Å; L448-A452 PolarHBondContact O-N 3.01Å; L448-A452 VanDerWaalsContact O-N 3.09Å; L448-L468 HydrophobicContact CD2-CD1 3.62Å; L448-A473 HydrophobicContact CD2-CB 4.31Å
449	I	95.3	Very high	93.4	Very high	8 Å²	8	24.2 Å²	24.2	4%	0.041	14%	0.14	C	C	.	.	H	α-helix	trans	-68.5	-36.9	179.3	66.7	178.7	0	0	0	111.6	D392 I393 K445 Q446 S451 H465 L521	D392-I449 HydrophobicContact CB-CG2 4.47Å; I393-I449 HydrophobicContact CG2-CG2 4.39Å; K445-I449 WeakPolarHBondContact O-CG1 3.33Å; K445-I449 WeakPolarHBondContact O-CG2 3.48Å; K445-I449 PolarHBondContact O-N 3.09Å; Q446-I449 VanDerWaalsContact O-CG1 3.31Å; Q446-I449 WeakPolarHBondContact O-CG1 3.47Å; I449-S451 VanDerWaalsContact C-N 3.35Å; I449-H465 HydrophobicContact CB-CB 4.06Å; I449-H465 HydrophobicContact CG2-CB 4.47Å; I449-H465 WeakPolarHBondContact O-CB 2.94Å; I449-L521 HydrophobicContact CD1-CD1 3.63Å
450	A	92.3	Very high	93.8	Very high	12 Å²	12	23.4 Å²	23.4	10%	0.099	13%	0.134	C	C	.	.	H	α-helix	trans	-75.5	-23.7	-179.8	0	0	0	0	0	113.2	Q446 I476 H951 L954	Q446-A450 WeakPolarHBondContact O-CB 3.33Å; Q446-A450 PolarHBondContact O-N 2.77Å; A450-I476 HydrophobicContact CB-CD1 3.94Å; A450-H951 PolarHBondContact O-CD2 2.87Å; A450-H951 VanDerWaalsContact O-CD2 3.23Å; A450-H951 PolarHBondContact O-NE2 2.83Å; A450-L954 HydrophobicContact CB-CD1 4.27Å
451	S	93.4	Very high	93.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-88.3	-22.3	176.1	78.5	0	0	0	0	113.3	A447 L448 I449 D469 R472 A473	A447-S451 VanDerWaalsContact O-CB 3.25Å; A447-S451 WeakPolarHBondContact O-CB 3.39Å; A447-S451 PolarHBondContact O-N 2.99Å; A447-S451 PolarHBondContact O-OG 3.38Å; L448-S451 PolarHBondContact O-N 3.46Å; L448-S451 PolarHBondContact O-OG 3.05Å; I449-S451 VanDerWaalsContact C-N 3.35Å; S451-D469 WeakPolarHBondContact O-CB 3.33Å; S451-D469 PolarHBondContact OG-O 2.8Å; S451-R472 WeakPolarHBondContact O-CD 3.3Å; S451-A473 VanDerWaalsContact CB-N 3.34Å
452	A	94.7	Very high	93.9	Very high	8 Å²	8	24.1 Å²	24.1	7%	0.066	14%	0.137	C	C	.	.			trans	-55.4	139.1	-171.4	0	0	0	0	0	112.9	I393 L448 H465 K467	I393-A452 HydrophobicContact CG2-CB 4.04Å; L448-A452 WeakPolarHBondContact O-CB 3.02Å; L448-A452 PolarHBondContact O-N 3.01Å; L448-A452 VanDerWaalsContact O-N 3.09Å; A452-H465 HydrophobicContact CB-CB 3.93Å; A452-H465 WeakPolarHBondContact CB-O 3.16Å; A452-K467 CarbonylContact C-O 3.35Å; A452-K467 WeakPolarHBondContact CA-O 3.43Å
453	R	93.3	Very high	94	Very high	168 Å²	168	24.1 Å²	24.1	63%	0.634	14%	0.137	S	C	*	.	B	Isolated β-bridge	trans	-95.3	113.2	177.8	-178.9	178.3	173.7	178	-2.9	110	L455 G466 K467	R453-L455 PolarHBondContact O-N 3.02Å; R453-G466 CarbonylContact O-C 3.57Å; R453-G466 WeakPolarHBondContact O-CA 3.38Å; R453-K467 PolarHBondContact N-O 3.23Å; R453-K467 PolarHBondContact O-N 3.31Å
454	R	91.9	Very high	94.1	Very high	46 Å²	46	24.1 Å²	24.1	17%	0.174	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-59.7	134.8	176.2	-67.3	-179.6	177.1	177.5	-11.3	112.5	H465 Y490 Y498	R454-H465 WeakPolarHBondContact CG-O 3.13Å; R454-Y490 PolarHBondContact NH1-OH 3.42Å; R454-Y490 PolarHBondContact NH2-OH 3.25Å; R454-Y490 VanDerWaalsContact NH2-OH 3.15Å; R454-Y498 HydrophobicContact CG-CE2 4.32Å; R454-Y498 VanDerWaalsContact CZ-CE1 3.46Å; R454-Y498 VanDerWaalsContact CZ-CZ 3.43Å; R454-Y498 PolarHBondContact NE-OH 2.97Å; R454-Y498 VanDerWaalsContact NH2-CZ 3.32Å; R454-Y498 PolarHBondContact NH2-OH 3.29Å; R454-Y498 VanDerWaalsContact NH2-OH 3.08Å
455	L	92.9	Very high	94	Very high	12 Å²	12	24.3 Å²	24.3	6%	0.063	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-84.3	132.3	171.1	-58.8	178.5	0	0	0	109.2	I363 D367 I369 V394 R453 V458 Q463 K467	I363-L455 HydrophobicContact CG2-CD1 3.9Å; D367-L455 HydrophobicContact CB-CD2 3.93Å; I369-L455 HydrophobicContact CD1-CD1 4.08Å; V394-L455 HydrophobicContact CG2-CD1 3.9Å; R453-L455 PolarHBondContact O-N 3.02Å; L455-V458 HydrophobicContact CB-CB 4.38Å; L455-V458 HydrophobicContact CB-CG2 4.24Å; L455-Q463 PolarHBondContact O-NE2 3.47Å; L455-K467 HydrophobicContact CD2-CB 4.13Å
456	P	89.2	Confident	94	Very high	122 Å²	122	24 Å²	24	79%	0.792	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.4	139.8	-179.1	29.7	-34.3	0	0	0	111	V458	P456-V458 VanDerWaalsContact C-N 3.28Å; P456-V458 PolarHBondContact O-N 3.45Å
457	G	88.8	Confident	94.1	Very high	64 Å²	64	25.1 Å²	25.1	66%	0.66	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	76	9.7	173.6	0	0	0	0	0	115.6	P497	G457-P497 VanDerWaalsContact C-CG 3.5Å
458	V	93.8	Very high	94.2	Very high	22 Å²	22	25.3 Å²	25.3	13%	0.133	14%	0.142	C	C	.	.			trans	-115.8	142.2	-179.8	-179.7	0	0	0	0	109.5	I369 L455 P456 E462 Q463	I369-V458 HydrophobicContact CD1-CG1 4Å; I369-V458 HydrophobicContact CG1-CG1 3.6Å; I369-V458 HydrophobicContact CG1-CG2 4.14Å; L455-V458 HydrophobicContact CB-CB 4.38Å; L455-V458 HydrophobicContact CB-CG2 4.24Å; P456-V458 VanDerWaalsContact C-N 3.28Å; P456-V458 PolarHBondContact O-N 3.45Å; V458-E462 HydrophobicContact CG1-CB 3.57Å; V458-E462 WeakPolarHBondContact CG1-OE2 3.18Å; V458-Q463 HydrophobicContact CG1-CB 3.75Å; V458-Q463 HydrophobicContact CG1-CG 4.04Å; V458-Q463 PolarHBondContact O-NE2 3.25Å
459	N	94.8	Very high	94.1	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.021	15%	0.152	C	C	.	.			trans	-89.2	163.8	-178.9	72.3	68.9	0	0	0	113.6	Y345 F461 E462 Q463 P497 W500	Y345-N459 PolarHBondContact OH-ND2 3Å; N459-F461 PolarHBondContact O-N 3.19Å; N459-F461 WeakPolarHBondContact OD1-CA 3.27Å; N459-F461 WeakPolarHBondContact OD1-CB 3.36Å; N459-F461 PolarHBondContact OD1-N 3.36Å; N459-E462 PolarHBondContact N-OE2 3.06Å; N459-E462 VanDerWaalsContact ND2-CD 3.33Å; N459-E462 PolarHBondContact ND2-OE2 3.41Å; N459-E462 PolarHBondContact O-N 2.99Å; N459-E462 PolarHBondContact OD1-N 2.91Å; N459-Q463 WeakPolarHBondContact O-CG 2.94Å; N459-Q463 PolarHBondContact O-N 2.74Å; N459-Q463 VanDerWaalsContact O-N 3.08Å; N459-P497 WeakPolarHBondContact CB-O 3.48Å; N459-W500 HydrophobicContact CB-CB 4.11Å
460	M	95.1	Very high	94	Very high	2 Å²	2	27 Å²	27	1%	0.01	15%	0.151	C	C	.	.	H	α-helix	trans	-63.6	-25.1	-175.7	78.2	175.4	99.5	0	0	114.2	V389 E462 G464 Y498 M499 Y502	V389-M460 HydrophobicContact CB-SD 4.47Å; V389-M460 HydrophobicContact CG1-CB 4.35Å; V389-M460 HydrophobicContact CG1-CG 4.15Å; V389-M460 HydrophobicContact CG1-SD 4.25Å; V389-M460 HydrophobicContact CG2-CG 4.16Å; V389-M460 HydrophobicContact CG2-SD 3.36Å; V389-M460 WeakPolarHBondContact CG2-SD 3.43Å; M460-E462 VanDerWaalsContact C-N 3.27Å; M460-E462 PolarHBondContact O-N 3.08Å; M460-G464 WeakPolarHBondContact O-CA 3.1Å; M460-G464 PolarHBondContact O-N 2.93Å; M460-Y498 HydrophobicContact CB-CD2 4.44Å; M460-Y498 HydrophobicContact CB-CE1 4.24Å; M460-Y498 HydrophobicContact CB-CE2 3.97Å; M460-Y498 PolarHBondContact N-O 3.31Å; M460-M499 HydrophobicContact CE-CB 4.18Å; M460-M499 HydrophobicContact CE-CE 4.44Å; M460-M499 HydrophobicContact CE-CG 3.87Å; M460-M499 HydrophobicContact CE-SD 3.2Å; M460-M499 WeakPolarHBondContact CE-SD 3.02Å; M460-Y502 HydrophobicContact CE-CD2 4.47Å
461	F	95.1	Very high	94	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-81.3	-8.4	177.5	-62.6	-70.6	0	0	0	112.9	Y345 G376 M377 V389 P391 N459 W500 Y502	Y345-F461 HydrophobicContact CE1-CB 4.32Å; G376-F461 PolarHBondContact N-O 2.83Å; M377-F461 HydrophobicContact CB-CD1 3.63Å; M377-F461 HydrophobicContact CB-CE1 3.4Å; M377-F461 VanDerWaalsContact CB-CE1 3.4Å; M377-F461 HydrophobicContact CB-CZ 4.13Å; M377-F461 HydrophobicContact CE-CE2 4.27Å; M377-F461 HydrophobicContact CE-CZ 4.21Å; V389-F461 HydrophobicContact CB-CE1 4.39Å; V389-F461 HydrophobicContact CG2-CE1 3.98Å; V389-F461 HydrophobicContact CG2-CZ 4.35Å; P391-F461 WeakPolarHBondContact CD-O 3.1Å; N459-F461 PolarHBondContact O-N 3.19Å; N459-F461 WeakPolarHBondContact OD1-CA 3.27Å; N459-F461 WeakPolarHBondContact OD1-CB 3.36Å; N459-F461 PolarHBondContact OD1-N 3.36Å; F461-W500 VanDerWaalsContact CD2-O 3.26Å; F461-W500 WeakPolarHBondContact CD2-O 3.48Å; F461-W500 WeakPolarHBondContact CE2-O 3.46Å; F461-Y502 HydrophobicContact CE2-CE2 4.35Å; F461-Y502 HydrophobicContact CZ-CE2 4.25Å
462	E	95.6	Very high	93.9	Very high	25 Å²	25	30.6 Å²	30.6	12%	0.117	16%	0.163	C	C	.	.	H	α-helix	trans	-100	-42.3	172.2	-66.9	177.3	140.8	0	0	111.9	Y345 I369 R375 V458 N459 M460	Y345-E462 HydrophobicContact CE1-CG 4.38Å; Y345-E462 VanDerWaalsContact OH-CG 3.3Å; Y345-E462 WeakPolarHBondContact OH-CG 3.45Å; Y345-E462 PolarHBondContact OH-OE1 3.07Å; I369-E462 HydrophobicContact CG1-CB 4.37Å; R375-E462 HydrophobicContact CG-CG 4.04Å; R375-E462 IonicContact CZ-OE1 2.96Å; R375-E462 IonicContact NE-OE1 2.91Å; R375-E462 IonicContact NH1-OE1 3.44Å; R375-E462 PolarHBondContact NH1-OE1 3.24Å; R375-E462 IonicContact NH2-OE1 3.31Å; V458-E462 HydrophobicContact CG1-CB 3.57Å; V458-E462 WeakPolarHBondContact CG1-OE2 3.18Å; N459-E462 PolarHBondContact N-OE2 3.06Å; N459-E462 VanDerWaalsContact ND2-CD 3.33Å; N459-E462 PolarHBondContact ND2-OE2 3.41Å; N459-E462 PolarHBondContact O-N 2.99Å; N459-E462 PolarHBondContact OD1-N 2.91Å; M460-E462 VanDerWaalsContact C-N 3.27Å; M460-E462 PolarHBondContact O-N 3.08Å
463	Q	95.3	Very high	93.9	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-107.9	-9.8	-174.2	72.6	175.2	-61.6	0	0	115.4	I369 V394 L455 V458 N459 H465 G466 Y498	I369-Q463 HydrophobicContact CD1-CB 4.1Å; V394-Q463 HydrophobicContact CG1-CB 4.43Å; V394-Q463 HydrophobicContact CG2-CB 4.26Å; L455-Q463 PolarHBondContact O-NE2 3.47Å; V458-Q463 HydrophobicContact CG1-CB 3.75Å; V458-Q463 HydrophobicContact CG1-CG 4.04Å; V458-Q463 PolarHBondContact O-NE2 3.25Å; N459-Q463 WeakPolarHBondContact O-CG 2.94Å; N459-Q463 PolarHBondContact O-N 2.74Å; N459-Q463 VanDerWaalsContact O-N 3.08Å; Q463-H465 PolarHBondContact O-N 3.13Å; Q463-G466 WeakPolarHBondContact O-CA 2.95Å; Q463-G466 PolarHBondContact O-N 2.95Å; Q463-Y498 HydrophobicContact CG-CE2 4.42Å
464	G	95.9	Very high	93.8	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	-125	-166.3	0	0	0	0	0	112	P391 M460 G466 Y498	P391-G464 WeakPolarHBondContact O-CA 3.41Å; M460-G464 WeakPolarHBondContact O-CA 3.1Å; M460-G464 PolarHBondContact O-N 2.93Å; G464-G466 VanDerWaalsContact C-N 3.32Å; G464-Y498 PolarHBondContact O-OH 2.86Å
465	H	95.4	Very high	93.7	Very high	5 Å²	5	24 Å²	24	2%	0.023	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-7.4	173.8	-66.9	-91.7	0	0	0	113.4	D392 I449 A452 R454 Q463 S487	D392-H465 PolarHBondContact O-CD2 3.13Å; D392-H465 PolarHBondContact O-N 2.76Å; I449-H465 HydrophobicContact CB-CB 4.06Å; I449-H465 HydrophobicContact CG2-CB 4.47Å; I449-H465 WeakPolarHBondContact O-CB 2.94Å; A452-H465 HydrophobicContact CB-CB 3.93Å; A452-H465 WeakPolarHBondContact CB-O 3.16Å; R454-H465 WeakPolarHBondContact CG-O 3.13Å; Q463-H465 PolarHBondContact O-N 3.13Å; H465-S487 PolarHBondContact NE2-OG 3.15Å
466	G	95.4	Very high	93.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.137	C	C	.	.			trans	118.8	-163.6	175.1	0	0	0	0	0	113.5	I393 V394 R453 Q463 G464	I393-G466 WeakPolarHBondContact CA-O 2.75Å; V394-G466 PolarHBondContact N-O 2.9Å; R453-G466 CarbonylContact O-C 3.57Å; R453-G466 WeakPolarHBondContact O-CA 3.38Å; Q463-G466 WeakPolarHBondContact O-CA 2.95Å; Q463-G466 PolarHBondContact O-N 2.95Å; G464-G466 VanDerWaalsContact C-N 3.32Å
467	K	96.4	Very high	93.5	Very high	26 Å²	26	18.3 Å²	18.3	11%	0.113	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-72.7	136.9	-177.8	177.1	180	168.2	179.6	0	111.8	I363 D367 V394 Y396 A452 R453 L455 D469	I363-K467 HydrophobicContact CD1-CB 4.5Å; I363-K467 HydrophobicContact CD1-CD 3.8Å; I363-K467 HydrophobicContact CD1-CG 3.98Å; D367-K467 VanDerWaalsContact CG-NZ 3.33Å; D367-K467 IonicContact OD1-NZ 3.6Å; D367-K467 PolarHBondContact OD1-NZ 3Å; D367-K467 IonicContact OD2-NZ 3.97Å; D367-K467 PolarHBondContact OD2-NZ 3.1Å; V394-K467 HydrophobicContact CG2-CB 4.43Å; V394-K467 CarbonylContact O-C 3.6Å; V394-K467 VanDerWaalsContact O-CA 3.27Å; V394-K467 WeakPolarHBondContact O-CA 3.3Å; Y396-K467 WeakPolarHBondContact OH-CE 3.48Å; Y396-K467 PolarHBondContact OH-NZ 3.41Å; A452-K467 CarbonylContact C-O 3.35Å; A452-K467 WeakPolarHBondContact CA-O 3.43Å; R453-K467 PolarHBondContact N-O 3.23Å; R453-K467 PolarHBondContact O-N 3.31Å; L455-K467 HydrophobicContact CD2-CB 4.13Å; K467-D469 PolarHBondContact O-N 3.47Å
468	L	96.5	Very high	93.4	Very high	4 Å²	4	20.4 Å²	20.4	2%	0.021	10%	0.098	C	C	.	.			trans	-50.1	126.4	173.6	176.5	63.8	0	0	0	112.5	L199 I393 V394 V422 A425 L448	L199-L468 HydrophobicContact CD1-CD2 3.98Å; I393-L468 HydrophobicContact CD1-CB 4.45Å; I393-L468 HydrophobicContact CD1-CD1 4.24Å; V394-L468 PolarHBondContact O-N 3.02Å; V422-L468 HydrophobicContact CG2-CD2 4.32Å; A425-L468 HydrophobicContact CB-CD2 3.76Å; L448-L468 HydrophobicContact CD2-CD1 3.62Å
469	D	95.2	Very high	93	Very high	43 Å²	43	21.5 Å²	21.5	23%	0.23	11%	0.107	C	C	.	.			trans	-118.8	103.3	168.7	-171.7	-34.4	0	0	0	109.4	S451 K467 L471 R472 A473	S451-D469 WeakPolarHBondContact O-CB 3.33Å; S451-D469 PolarHBondContact OG-O 2.8Å; K467-D469 PolarHBondContact O-N 3.47Å; D469-L471 PolarHBondContact OD1-N 3.3Å; D469-R472 HydrophobicContact CB-CB 4.16Å; D469-R472 WeakPolarHBondContact OD1-CB 2.92Å; D469-R472 PolarHBondContact OD1-N 2.78Å; D469-A473 WeakPolarHBondContact O-CB 3.28Å; D469-A473 PolarHBondContact O-N 3.17Å; D469-A473 VanDerWaalsContact O-N 3.09Å
470	L	94.1	Very high	92.7	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-67.8	-43.8	-173.6	178.9	64.4	0	0	0	112.5	L199 A201 L204 A425 L428 L429 A473 Y474	L199-L470 WeakPolarHBondContact O-CB 3.34Å; L199-L470 WeakPolarHBondContact O-CD2 3.4Å; A201-L470 HydrophobicContact CB-CD2 3.87Å; L204-L470 HydrophobicContact CD1-CD1 4.11Å; L204-L470 HydrophobicContact CD1-CD2 4.01Å; L204-L470 HydrophobicContact CD1-CG 3.89Å; A425-L470 HydrophobicContact CB-CD1 3.99Å; L428-L470 HydrophobicContact CD2-CD2 4.12Å; L429-L470 HydrophobicContact CD1-CD1 4.05Å; L429-L470 HydrophobicContact CD2-CD1 3.82Å; L429-L470 HydrophobicContact CG-CD1 3.72Å; L470-A473 PolarHBondContact O-N 3.42Å; L470-Y474 PolarHBondContact O-N 3.04Å
471	L	92	Very high	92.3	Very high	15 Å²	15	29 Å²	29	8%	0.079	14%	0.139	C	C	.	.	H	α-helix	trans	-70.4	-39	-175.5	-64.4	-178.8	0	0	0	111.4	Q200 V203 L204 D469 Y474 Q475	Q200-L471 HydrophobicContact CB-CD1 3.96Å; Q200-L471 HydrophobicContact CB-CG 4.18Å; Q200-L471 HydrophobicContact CG-CD1 4.47Å; V203-L471 HydrophobicContact CB-CD2 3.99Å; V203-L471 HydrophobicContact CG1-CD2 3.99Å; L204-L471 HydrophobicContact CD2-CD2 4.39Å; L204-L471 HydrophobicContact CG-CD2 4.33Å; D469-L471 PolarHBondContact OD1-N 3.3Å; L471-Y474 WeakPolarHBondContact O-CB 3.19Å; L471-Y474 PolarHBondContact O-N 2.76Å; L471-Q475 WeakPolarHBondContact O-CG 3.48Å; L471-Q475 PolarHBondContact O-N 2.95Å; L471-Q475 VanDerWaalsContact O-N 3.14Å
472	R	91	Very high	92	Very high	73 Å²	73	31 Å²	31	28%	0.275	15%	0.151	S	C	.	.	H	α-helix	trans	-69.9	-36.5	176	-171.1	175.6	-173.2	170.7	7.5	111.7	S451 D469 Q475 I476 L959	S451-R472 WeakPolarHBondContact O-CD 3.3Å; D469-R472 HydrophobicContact CB-CB 4.16Å; D469-R472 WeakPolarHBondContact OD1-CB 2.92Å; D469-R472 PolarHBondContact OD1-N 2.78Å; R472-Q475 PolarHBondContact O-N 3.49Å; R472-I476 HydrophobicContact CG-CD1 4.42Å; R472-I476 WeakPolarHBondContact O-CG1 3.37Å; R472-I476 PolarHBondContact O-N 3.38Å; R472-L959 HydrophobicContact CG-CD2 4.31Å; R472-L959 VanDerWaalsContact NH2-CD2 3.33Å
473	A	93.8	Very high	91.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61	-44.5	172.5	0	0	0	0	0	111.7	L429 L448 S451 D469 L470 Q475 I476 L477	L429-A473 HydrophobicContact CD1-CB 3.73Å; L429-A473 HydrophobicContact CD2-CB 4.27Å; L448-A473 HydrophobicContact CD2-CB 4.31Å; S451-A473 VanDerWaalsContact CB-N 3.34Å; D469-A473 WeakPolarHBondContact O-CB 3.28Å; D469-A473 PolarHBondContact O-N 3.17Å; D469-A473 VanDerWaalsContact O-N 3.09Å; L470-A473 PolarHBondContact O-N 3.42Å; A473-Q475 VanDerWaalsContact C-N 3.34Å; A473-Q475 PolarHBondContact O-N 2.89Å; A473-I476 PolarHBondContact O-N 2.78Å; A473-L477 WeakPolarHBondContact O-CG 3.37Å; A473-L477 PolarHBondContact O-N 3.32Å
474	Y	92.3	Very high	91.7	Very high	38 Å²	38	31.3 Å²	31.3	15%	0.149	15%	0.153	C	C	.	.	H	α-helix	trans	-55.8	-46.6	174.9	163.8	-113.4	0	0	0	112.3	L204 M207 Y209 T432 L470 L471 I476 L477 N478	L204-Y474 HydrophobicContact CD2-CD1 3.9Å; L204-Y474 HydrophobicContact CD2-CD2 4.2Å; L204-Y474 HydrophobicContact CD2-CE1 4.26Å; L204-Y474 HydrophobicContact CD2-CG 3.85Å; M207-Y474 HydrophobicContact SD-CE1 4.2Å; Y209-Y474 HydrophobicContact CE2-CE2 4.46Å; T432-Y474 HydrophobicContact CG2-CD2 3.81Å; T432-Y474 HydrophobicContact CG2-CE2 4.02Å; T432-Y474 WeakPolarHBondContact OG1-CD2 3.28Å; L470-Y474 PolarHBondContact O-N 3.04Å; L471-Y474 WeakPolarHBondContact O-CB 3.19Å; L471-Y474 PolarHBondContact O-N 2.76Å; Y474-I476 VanDerWaalsContact C-N 3.35Å; Y474-I476 PolarHBondContact O-N 3.28Å; Y474-L477 PolarHBondContact O-N 2.91Å; Y474-N478 WeakPolarHBondContact O-CB 3.46Å; Y474-N478 PolarHBondContact O-N 2.97Å
475	Q	88.6	Confident	91.7	Very high	47 Å²	47	32.2 Å²	32.2	22%	0.22	16%	0.16	C	C	.	.	H	α-helix	trans	-64.1	-40.1	179.2	-69.7	169.2	-1.2	0	0	112.6	L471 R472 A473 S479 V962	L471-Q475 WeakPolarHBondContact O-CG 3.48Å; L471-Q475 PolarHBondContact O-N 2.95Å; L471-Q475 VanDerWaalsContact O-N 3.14Å; R472-Q475 PolarHBondContact O-N 3.49Å; A473-Q475 VanDerWaalsContact C-N 3.34Å; A473-Q475 PolarHBondContact O-N 2.89Å; Q475-S479 PolarHBondContact O-N 2.7Å; Q475-S479 PolarHBondContact O-OG 2.88Å; Q475-V962 VanDerWaalsContact OE1-CG1 3.23Å
476	I	89.3	Confident	91.7	Very high	5 Å²	5	32.4 Å²	32.4	3%	0.026	16%	0.161	C	C	.	.	H	α-helix	trans	-63.5	-48.1	176.1	-69.5	172.6	0	0	0	110.2	A447 A450 R472 A473 Y474 N478 S479 Y480 L954 I957	A447-I476 HydrophobicContact CB-CB 4.43Å; A447-I476 HydrophobicContact CB-CG2 3.88Å; A450-I476 HydrophobicContact CB-CD1 3.94Å; R472-I476 HydrophobicContact CG-CD1 4.42Å; R472-I476 WeakPolarHBondContact O-CG1 3.37Å; R472-I476 PolarHBondContact O-N 3.38Å; A473-I476 PolarHBondContact O-N 2.78Å; Y474-I476 VanDerWaalsContact C-N 3.35Å; Y474-I476 PolarHBondContact O-N 3.28Å; I476-N478 VanDerWaalsContact C-N 3.35Å; I476-N478 PolarHBondContact O-N 3.2Å; I476-S479 CarbonylContact O-C 3.18Å; I476-S479 PolarHBondContact O-N 2.76Å; I476-S479 PolarHBondContact O-OG 2.77Å; I476-Y480 WeakPolarHBondContact O-CA 3.47Å; I476-Y480 WeakPolarHBondContact O-CB 3.32Å; I476-Y480 PolarHBondContact O-N 2.78Å; I476-L954 HydrophobicContact CD1-CD1 4.34Å; I476-L954 HydrophobicContact CG1-CD1 4.31Å; I476-L954 HydrophobicContact CG2-CD1 3.47Å; I476-L954 VanDerWaalsContact CG2-CD1 3.47Å; I476-I957 HydrophobicContact CB-CD1 4.21Å; I476-I957 HydrophobicContact CG1-CD1 3.81Å; I476-I957 HydrophobicContact CG2-CD1 4.48Å
477	L	89.9	Confident	91.6	Very high	8 Å²	8	32.6 Å²	32.6	4%	0.042	16%	0.163	C	C	.	.	H	α-helix	trans	-62.4	-39.5	179.6	-74.4	170.8	0	0	0	112.7	L429 V433 M444 A447 A473 Y474 S479 Y480	L429-L477 HydrophobicContact CB-CD1 3.78Å; L429-L477 HydrophobicContact CD1-CD1 4.15Å; L429-L477 HydrophobicContact CD2-CD1 4.22Å; L429-L477 HydrophobicContact CG-CD1 4.27Å; V433-L477 HydrophobicContact CG2-CB 4.08Å; M444-L477 HydrophobicContact CE-CD1 3.67Å; M444-L477 HydrophobicContact CE-CD2 4.33Å; M444-L477 HydrophobicContact SD-CD1 3.92Å; A447-L477 HydrophobicContact CB-CD1 4.35Å; A447-L477 HydrophobicContact CB-CD2 3.63Å; A447-L477 HydrophobicContact CB-CG 3.66Å; A473-L477 WeakPolarHBondContact O-CG 3.37Å; A473-L477 PolarHBondContact O-N 3.32Å; Y474-L477 PolarHBondContact O-N 2.91Å; L477-S479 PolarHBondContact O-N 2.79Å; L477-Y480 WeakPolarHBondContact O-CB 3.23Å; L477-Y480 PolarHBondContact O-N 3.31Å
478	N	86.4	Confident	91.5	Very high	108 Å²	108	31.6 Å²	31.6	58%	0.578	16%	0.158	S	C	*	.	H	α-helix	trans	-66.5	-22.7	179.6	-167.4	44	0	0	0	113.4	Y474 I476	Y474-N478 WeakPolarHBondContact O-CB 3.46Å; Y474-N478 PolarHBondContact O-N 2.97Å; I476-N478 VanDerWaalsContact C-N 3.35Å; I476-N478 PolarHBondContact O-N 3.2Å
479	S	85.6	Confident	91.2	Very high	46 Å²	46	32.3 Å²	32.3	32%	0.322	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	16.1	177.6	58.9	0	0	0	0	112.8	Q475 I476 L477 S956 I957	Q475-S479 PolarHBondContact O-N 2.7Å; Q475-S479 PolarHBondContact O-OG 2.88Å; I476-S479 CarbonylContact O-C 3.18Å; I476-S479 PolarHBondContact O-N 2.76Å; I476-S479 PolarHBondContact O-OG 2.77Å; L477-S479 PolarHBondContact O-N 2.79Å; S479-S956 PolarHBondContact O-OG 3.46Å; S479-I957 WeakPolarHBondContact OG-CD1 3.38Å; S479-I957 WeakPolarHBondContact OG-CG1 3.42Å
480	Y	87.3	Confident	91.1	Very high	19 Å²	19	30.4 Å²	30.4	8%	0.075	15%	0.154	C	C	.	.			trans	-70.1	136.9	-175.5	-178.7	-98.2	0	0	0	110.7	S443 Q446 I476 L477 P482 G523	S443-Y480 VanDerWaalsContact CB-OH 3.32Å; S443-Y480 WeakPolarHBondContact CB-OH 3.45Å; Q446-Y480 PolarHBondContact OE1-OH 3.32Å; I476-Y480 WeakPolarHBondContact O-CA 3.47Å; I476-Y480 WeakPolarHBondContact O-CB 3.32Å; I476-Y480 PolarHBondContact O-N 2.78Å; L477-Y480 WeakPolarHBondContact O-CB 3.23Å; L477-Y480 PolarHBondContact O-N 3.31Å; Y480-P482 HydrophobicContact CE1-CG 4.42Å; Y480-G523 WeakPolarHBondContact OH-CA 3.44Å
481	K	87.1	Confident	91.1	Very high	145 Å²	145	30.3 Å²	30.3	63%	0.63	15%	0.153	S	C	*	.			trans	-121.1	134.4	167.9	-67	-175.3	179.2	-178.4	0	107.5	Q483	K481-Q483 PolarHBondContact O-N 3.01Å; K481-Q483 VanDerWaalsContact O-N 3.17Å; K481-Q483 PolarHBondContact O-NE2 3.13Å; K481-Q483 VanDerWaalsContact O-NE2 3.15Å
482	P	89.3	Confident	91.2	Very high	41 Å²	41	29.9 Å²	29.9	27%	0.266	15%	0.151	S	C	.	.			trans	-51.6	122	175.7	-25	33.3	0	0	0	110.4	L438 Y480 M524	L438-P482 HydrophobicContact CD2-CG 3.86Å; Y480-P482 HydrophobicContact CE1-CG 4.42Å; P482-M524 HydrophobicContact CB-CB 4.44Å; P482-M524 HydrophobicContact CB-CG 4.09Å
483	Q	91.3	Very high	91.4	Very high	28 Å²	28	26.7 Å²	26.7	13%	0.131	14%	0.139	C	C	.	.			trans	-157.3	162	-177.4	73.1	-163.1	-67.6	0	0	111.2	Q446 K481 G523 L954	Q446-Q483 PolarHBondContact NE2-O 3.41Å; Q446-Q483 PolarHBondContact OE1-O 2.84Å; K481-Q483 PolarHBondContact O-N 3.01Å; K481-Q483 VanDerWaalsContact O-N 3.17Å; K481-Q483 PolarHBondContact O-NE2 3.13Å; K481-Q483 VanDerWaalsContact O-NE2 3.15Å; Q483-G523 WeakPolarHBondContact O-CA 3.37Å; Q483-G523 PolarHBondContact O-N 3.28Å; Q483-L954 HydrophobicContact CG-CD2 4.5Å; Q483-L954 VanDerWaalsContact NE2-CD2 3.29Å
484	A	93.7	Very high	91.3	Very high	4 Å²	4	29.2 Å²	29.2	3%	0.033	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	150.4	168.6	0	0	0	0	0	110.8	L521 V589 S605 V607	A484-L521 CarbonylContact C-O 3.57Å; A484-L521 VanDerWaalsContact CA-O 3.25Å; A484-L521 WeakPolarHBondContact CA-O 3.49Å; A484-V589 HydrophobicContact CB-CB 3.91Å; A484-V589 HydrophobicContact CB-CG1 4.42Å; A484-V589 HydrophobicContact CB-CG2 3.89Å; A484-S605 PolarHBondContact N-OG 3Å; A484-V607 HydrophobicContact CB-CG2 3.75Å; A484-V607 WeakPolarHBondContact O-CG2 3.33Å
485	S	94.5	Very high	91.3	Very high	20 Å²	20	29.5 Å²	29.5	14%	0.14	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	169.8	171.5	78.3	0	0	0	0	111.3	Q446 L521	Q446-S485 VanDerWaalsContact CG-OG 3.31Å; Q446-S485 WeakPolarHBondContact CG-OG 3.44Å; Q446-S485 PolarHBondContact NE2-OG 3.34Å; Q446-S485 VanDerWaalsContact NE2-OG 3.1Å; S485-L521 PolarHBondContact N-O 3.24Å; S485-L521 PolarHBondContact O-N 3.04Å
486	L	95.3	Very high	91.4	Very high	9 Å²	9	31 Å²	31	5%	0.047	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	141	-176.1	-60.3	175.2	0	0	0	110.7	P488 S489 V518 T519 I520 V607 L609	L486-P488 CarbonylContact C-O 3.47Å; L486-P488 CarbonylContact O-C 3.55Å; L486-S489 WeakPolarHBondContact O-CA 3.33Å; L486-S489 PolarHBondContact O-N 2.84Å; L486-V518 HydrophobicContact CB-CG1 3.86Å; L486-V518 HydrophobicContact CD2-CG1 4.12Å; L486-V518 HydrophobicContact CG-CG1 4.45Å; L486-T519 WeakPolarHBondContact CA-O 3.34Å; L486-I520 HydrophobicContact CD2-CB 4.31Å; L486-I520 HydrophobicContact CD2-CG1 3.79Å; L486-I520 HydrophobicContact CD2-CG2 4.4Å; L486-V607 HydrophobicContact CD1-CB 4.33Å; L486-V607 HydrophobicContact CD1-CG1 3.76Å; L486-V607 HydrophobicContact CG-CB 4.41Å; L486-V607 HydrophobicContact CG-CG1 3.79Å; L486-L609 HydrophobicContact CB-CD1 4.26Å; L486-L609 HydrophobicContact CD1-CB 3.64Å; L486-L609 HydrophobicContact CD1-CD1 3.81Å; L486-L609 HydrophobicContact CD1-CG 4.19Å
487	S	94.2	Very high	91.6	Very high	4 Å²	4	33.5 Å²	33.5	3%	0.028	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	110.8	175.9	176.5	0	0	0	0	110.1	H465 T519	H465-S487 PolarHBondContact NE2-OG 3.15Å; S487-T519 PolarHBondContact N-O 3.01Å; S487-T519 PolarHBondContact O-N 2.81Å
488	P	93.9	Very high	91.8	Very high	4 Å²	4	33.5 Å²	33.5	3%	0.026	19%	0.188	C	C	.	.	S	Bend	cis	-66.4	159.1	-2.5	30.4	-36	0	0	0	112.8	L486 Y490	L486-P488 CarbonylContact C-O 3.47Å; L486-P488 CarbonylContact O-C 3.55Å; P488-Y490 VanDerWaalsContact C-N 3.33Å
489	S	91.3	Very high	92.1	Very high	20 Å²	20	28.4 Å²	28.4	14%	0.14	16%	0.161	C	C	.	.	S	Bend	trans	-84	-5.4	-176.7	57.2	0	0	0	0	114.6	L486 H951	L486-S489 WeakPolarHBondContact O-CA 3.33Å; L486-S489 PolarHBondContact O-N 2.84Å; S489-H951 PolarHBondContact OG-ND1 2.84Å
490	Y	93.1	Very high	92.5	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.008	15%	0.149	C	C	.	.			trans	-160.7	165.9	173.1	65.7	-84	0	0	0	109	R454 P488 D492 Y498 M499 L948 W949	R454-Y490 PolarHBondContact NH1-OH 3.42Å; R454-Y490 PolarHBondContact NH2-OH 3.25Å; R454-Y490 VanDerWaalsContact NH2-OH 3.15Å; P488-Y490 VanDerWaalsContact C-N 3.33Å; Y490-D492 HydrophobicContact CD2-CB 3.89Å; Y490-D492 HydrophobicContact CE2-CB 3.8Å; Y490-Y498 WeakPolarHBondContact OH-CE1 3.29Å; Y490-M499 HydrophobicContact CD2-CE 3.89Å; Y490-M499 HydrophobicContact CE2-CE 3.34Å; Y490-L948 VanDerWaalsContact CD1-O 3.29Å; Y490-L948 WeakPolarHBondContact CD1-O 3.31Å; Y490-L948 HydrophobicContact CD2-CB 4.12Å; Y490-L948 HydrophobicContact CG-CB 4.25Å; Y490-W949 AromaticContact CE2-NE1 3.51Å; Y490-W949 AromaticContact CZ-CD1 3.96Å; Y490-W949 AromaticContact CZ-CE2 3.65Å; Y490-W949 AromaticContact CZ-CZ2 3.97Å; Y490-W949 AromaticContact CZ-NE1 3.43Å; Y490-W949 WeakPolarHBondContact OH-CZ2 3.25Å; Y490-W949 PolarHBondContact OH-NE1 2.8Å; Y490-W949 VanDerWaalsContact OH-NE1 3.1Å
491	I	94.4	Very high	92.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	112.8	174.8	-59.3	173.4	0	0	0	107.7	L493 V516 V518 I566 I568 L609 P610 I611 K612	I491-L493 HydrophobicContact CG2-CD2 3.66Å; I491-L493 HydrophobicContact CG2-CG 4.28Å; I491-V516 HydrophobicContact CD1-CB 3.81Å; I491-V516 HydrophobicContact CD1-CG1 3.72Å; I491-V516 HydrophobicContact CD1-CG2 4.25Å; I491-V516 HydrophobicContact CG1-CG1 4.05Å; I491-V516 HydrophobicContact CG2-CG2 4.21Å; I491-V518 HydrophobicContact CD1-CG2 4.29Å; I491-I566 HydrophobicContact CD1-CD1 3.9Å; I491-I568 HydrophobicContact CG2-CD1 4.32Å; I491-L609 HydrophobicContact CD1-CD2 3.83Å; I491-L609 HydrophobicContact CG1-CD2 4.27Å; I491-P610 PolarHBondContact N-O 3.4Å; I491-I611 HydrophobicContact CB-CG1 4.36Å; I491-I611 HydrophobicContact CD1-CG1 4.4Å; I491-I611 CarbonylContact O-C 3.58Å; I491-I611 WeakPolarHBondContact O-CA 3.45Å; I491-K612 PolarHBondContact O-N 3.11Å
492	D	93.8	Very high	93	Very high	6 Å²	6	20 Å²	20	3%	0.032	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	99.1	175	-169.6	-15.1	0	0	0	109.8	Y490 T494 E495 M499 K612	Y490-D492 HydrophobicContact CD2-CB 3.89Å; Y490-D492 HydrophobicContact CE2-CB 3.8Å; D492-T494 PolarHBondContact O-N 3.36Å; D492-T494 WeakPolarHBondContact OD1-CA 3.41Å; D492-T494 VanDerWaalsContact OD1-CB 3.3Å; D492-T494 WeakPolarHBondContact OD1-CB 3.39Å; D492-T494 PolarHBondContact OD1-N 3.16Å; D492-T494 PolarHBondContact OD1-OG1 2.86Å; D492-T494 PolarHBondContact OD2-OG1 3.2Å; D492-E495 HydrophobicContact CB-CB 4.46Å; D492-E495 PolarHBondContact O-N 3.47Å; D492-M499 HydrophobicContact CB-CE 4.31Å; D492-M499 VanDerWaalsContact N-CE 3.31Å; D492-M499 VanDerWaalsContact O-CB 3.3Å; D492-M499 WeakPolarHBondContact O-CB 3.12Å; D492-M499 WeakPolarHBondContact O-CG 3.41Å; D492-K612 WeakPolarHBondContact CA-O 3.49Å; D492-K612 HydrophobicContact CB-CB 4.43Å; D492-K612 IonicContact OD1-NZ 2.62Å; D492-K612 WeakPolarHBondContact OD2-CD 3.49Å; D492-K612 IonicContact OD2-NZ 2.63Å; D492-K612 PolarHBondContact OD2-NZ 3.11Å
493	L	94.1	Very high	93.3	Very high	6 Å²	6	18.7 Å²	18.7	3%	0.031	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-2	179.8	-51.1	-164.4	0	0	0	112.6	I491 E495 M499 Y502 C503 I507 K612 V613	I491-L493 HydrophobicContact CG2-CD2 3.66Å; I491-L493 HydrophobicContact CG2-CG 4.28Å; L493-E495 VanDerWaalsContact C-N 3.26Å; L493-M499 HydrophobicContact CD2-CG 4.3Å; L493-Y502 HydrophobicContact CD2-CG 4.4Å; L493-C503 VanDerWaalsContact O-CA 3.23Å; L493-C503 WeakPolarHBondContact O-CA 3.35Å; L493-C503 WeakPolarHBondContact O-CB 3.25Å; L493-I507 HydrophobicContact CD1-CG2 4.35Å; L493-K612 PolarHBondContact N-O 3.27Å; L493-V613 HydrophobicContact CD1-CB 4.47Å; L493-V613 HydrophobicContact CD1-CG1 3.89Å; L493-V613 HydrophobicContact CD1-CG2 4.02Å; L493-V613 HydrophobicContact CG-CG1 4.46Å; L493-V613 HydrophobicContact CG-CG2 4.12Å
494	T	92.3	Very high	93.4	Very high	53 Å²	53	18.9 Å²	18.9	33%	0.325	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-1.2	176	71	0	0	0	0	112.9	D492 I580 K612 K614	D492-T494 PolarHBondContact O-N 3.36Å; D492-T494 WeakPolarHBondContact OD1-CA 3.41Å; D492-T494 VanDerWaalsContact OD1-CB 3.3Å; D492-T494 WeakPolarHBondContact OD1-CB 3.39Å; D492-T494 PolarHBondContact OD1-N 3.16Å; D492-T494 PolarHBondContact OD1-OG1 2.86Å; D492-T494 PolarHBondContact OD2-OG1 3.2Å; T494-I580 HydrophobicContact CG2-CD1 4.39Å; T494-I580 HydrophobicContact CG2-CG1 4.44Å; T494-K612 HydrophobicContact CG2-CG 4.22Å; T494-K612 VanDerWaalsContact OG1-CE 3.31Å; T494-K612 WeakPolarHBondContact OG1-CE 3.4Å; T494-K612 PolarHBondContact OG1-NZ 3.01Å; T494-K614 HydrophobicContact CG2-CB 4.16Å
495	E	91.9	Very high	93.4	Very high	44 Å²	44	19.9 Å²	19.9	21%	0.206	12%	0.119	C	C	.	.			trans	-117.8	107.7	-166.4	-178.4	168.8	-142	0	0	114.6	D492 L493 M499 C503 W949	D492-E495 HydrophobicContact CB-CB 4.46Å; D492-E495 PolarHBondContact O-N 3.47Å; L493-E495 VanDerWaalsContact C-N 3.26Å; E495-M499 WeakPolarHBondContact O-CB 3.4Å; E495-M499 PolarHBondContact O-N 3.2Å; E495-M499 VanDerWaalsContact O-N 3.08Å; E495-C503 VanDerWaalsContact C-CB 3.49Å; E495-C503 WeakPolarHBondContact O-CB 3.43Å; E495-C503 PolarHBondContact O-SG 2.57Å; E495-W949 HydrophobicContact CG-CZ2 4.05Å; E495-W949 VanDerWaalsContact OE1-CH2 3.27Å; E495-W949 WeakPolarHBondContact OE1-CH2 3.38Å; E495-W949 WeakPolarHBondContact OE1-CZ2 3.45Å; E495-W949 PolarHBondContact OE1-NE1 3.39Å; E495-W949 WeakPolarHBondContact OE2-CZ2 3.34Å; E495-W949 PolarHBondContact OE2-NE1 3.14Å
496	C	91.2	Very high	93.4	Very high	79 Å²	79	20.1 Å²	20.1	53%	0.534	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	143.5	173.3	-64.7	0	0	0	0	111.5	C503	C496-C503 WeakPolarHBondContact CA-SG 3.44Å; C496-C503 HydrophobicContact CB-CB 4.24Å; C496-C503 WeakPolarHBondContact CB-SG 3.48Å; C496-C503 WeakPolarHBondContact SG-CB 3.23Å; C496-C503 PolarHBondContact SG-O 3.03Å; C496-C503 CovalentContact SG-SG 2.04Å; C496-C503 PolarHBondContact SG-SG 2.82Å
497	P	92.9	Very high	93.4	Very high	57 Å²	57	20.3 Å²	20.3	37%	0.37	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	cis	-90.1	-3.3	5.8	34.6	-34.7	0	0	0	114.5	G457 N459 M499 W500	G457-P497 VanDerWaalsContact C-CG 3.5Å; N459-P497 WeakPolarHBondContact CB-O 3.48Å; P497-M499 PolarHBondContact O-N 3.06Å; P497-W500 VanDerWaalsContact O-CB 3.23Å; P497-W500 WeakPolarHBondContact O-CB 3.09Å; P497-W500 PolarHBondContact O-N 2.84Å; P497-W500 VanDerWaalsContact O-N 3.1Å
498	Y	93.6	Very high	93.5	Very high	9 Å²	9	20.7 Å²	20.7	4%	0.035	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-44.9	-168.1	-172.1	-104	0	0	0	113.8	R454 M460 Q463 G464 Y490 W500 W949	R454-Y498 HydrophobicContact CG-CE2 4.32Å; R454-Y498 VanDerWaalsContact CZ-CE1 3.46Å; R454-Y498 VanDerWaalsContact CZ-CZ 3.43Å; R454-Y498 PolarHBondContact NE-OH 2.97Å; R454-Y498 VanDerWaalsContact NH2-CZ 3.32Å; R454-Y498 PolarHBondContact NH2-OH 3.29Å; R454-Y498 VanDerWaalsContact NH2-OH 3.08Å; M460-Y498 HydrophobicContact CB-CD2 4.44Å; M460-Y498 HydrophobicContact CB-CE1 4.24Å; M460-Y498 HydrophobicContact CB-CE2 3.97Å; M460-Y498 PolarHBondContact N-O 3.31Å; Q463-Y498 HydrophobicContact CG-CE2 4.42Å; G464-Y498 PolarHBondContact O-OH 2.86Å; Y490-Y498 WeakPolarHBondContact OH-CE1 3.29Å; Y498-W500 VanDerWaalsContact C-N 3.3Å; Y498-W500 PolarHBondContact O-N 3.22Å; Y498-W949 AromaticContact CD1-CH2 3.56Å; Y498-W949 HydrophobicContact CD1-CH2 3.56Å; Y498-W949 AromaticContact CD1-CZ2 3.39Å; Y498-W949 HydrophobicContact CD1-CZ2 3.39Å; Y498-W949 AromaticContact CD2-CH2 3.92Å; Y498-W949 HydrophobicContact CD2-CH2 3.92Å; Y498-W949 HydrophobicContact CE1-CH2 4.21Å; Y498-W949 HydrophobicContact CE1-CZ2 4.09Å; Y498-W949 AromaticContact CG-CH2 3.38Å; Y498-W949 HydrophobicContact CG-CH2 3.38Å; Y498-W949 AromaticContact CG-CZ2 3.66Å; Y498-W949 HydrophobicContact CG-CZ2 3.66Å
499	M	93.7	Very high	93.6	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	20.5	-177.7	-156	78.7	56	0	0	113.2	M460 Y490 D492 L493 E495 P497 Y502 C503	M460-M499 HydrophobicContact CE-CB 4.18Å; M460-M499 HydrophobicContact CE-CE 4.44Å; M460-M499 HydrophobicContact CE-CG 3.87Å; M460-M499 HydrophobicContact CE-SD 3.2Å; M460-M499 WeakPolarHBondContact CE-SD 3.02Å; Y490-M499 HydrophobicContact CD2-CE 3.89Å; Y490-M499 HydrophobicContact CE2-CE 3.34Å; D492-M499 HydrophobicContact CB-CE 4.31Å; D492-M499 VanDerWaalsContact N-CE 3.31Å; D492-M499 VanDerWaalsContact O-CB 3.3Å; D492-M499 WeakPolarHBondContact O-CB 3.12Å; D492-M499 WeakPolarHBondContact O-CG 3.41Å; L493-M499 HydrophobicContact CD2-CG 4.3Å; E495-M499 WeakPolarHBondContact O-CB 3.4Å; E495-M499 PolarHBondContact O-N 3.2Å; E495-M499 VanDerWaalsContact O-N 3.08Å; P497-M499 PolarHBondContact O-N 3.06Å; M499-Y502 HydrophobicContact CG-CD2 4.32Å; M499-Y502 WeakPolarHBondContact O-CA 3.45Å; M499-Y502 WeakPolarHBondContact O-CB 3.43Å; M499-Y502 PolarHBondContact O-N 2.86Å; M499-C503 HydrophobicContact CB-CB 4.14Å; M499-C503 PolarHBondContact O-N 3.47Å
500	W	93.6	Very high	93.6	Very high	18 Å²	18	24.7 Å²	24.7	7%	0.068	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	139.3	172.8	-176.3	89.5	0	0	0	110.4	Y345 N459 F461 P497 Y498 H660 R664	Y345-W500 HydrophobicContact CD1-CH2 4.23Å; Y345-W500 AromaticContact CD1-CZ3 3.67Å; Y345-W500 HydrophobicContact CD1-CZ3 3.67Å; Y345-W500 HydrophobicContact CE1-CE3 4.01Å; Y345-W500 HydrophobicContact CE1-CH2 4.18Å; Y345-W500 AromaticContact CE1-CZ3 3.39Å; Y345-W500 HydrophobicContact CE1-CZ3 3.39Å; N459-W500 HydrophobicContact CB-CB 4.11Å; F461-W500 VanDerWaalsContact CD2-O 3.26Å; F461-W500 WeakPolarHBondContact CD2-O 3.48Å; F461-W500 WeakPolarHBondContact CE2-O 3.46Å; P497-W500 VanDerWaalsContact O-CB 3.23Å; P497-W500 WeakPolarHBondContact O-CB 3.09Å; P497-W500 PolarHBondContact O-N 2.84Å; P497-W500 VanDerWaalsContact O-N 3.1Å; Y498-W500 VanDerWaalsContact C-N 3.3Å; Y498-W500 PolarHBondContact O-N 3.22Å; W500-H660 HydrophobicContact CH2-CB 3.97Å; W500-H660 WeakPolarHBondContact CH2-O 3.42Å; W500-H660 HydrophobicContact CZ2-CB 4.45Å; W500-R664 VanDerWaalsContact CH2-CD 3.43Å; W500-R664 HydrophobicContact CH2-CG 3.85Å; W500-R664 HydrophobicContact CZ2-CG 3.69Å
501	P	92.6	Very high	93.6	Very high	3 Å²	3	25.2 Å²	25.2	2%	0.019	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	cis	-83.9	-14	6.3	33.7	-34.8	0	0	0	114.3	M377 Y386 C503 S504 H660	M377-P501 HydrophobicContact CE-CG 4.38Å; Y386-P501 HydrophobicContact CE1-CG 4.07Å; P501-C503 PolarHBondContact O-N 3.29Å; P501-C503 VanDerWaalsContact O-N 3.1Å; P501-S504 VanDerWaalsContact O-CB 3.3Å; P501-S504 WeakPolarHBondContact O-CB 3.49Å; P501-S504 PolarHBondContact O-N 3.05Å; P501-S504 PolarHBondContact O-OG 3.21Å; P501-H660 HydrophobicContact CB-CB 4.47Å; P501-H660 HydrophobicContact CG-CB 4.3Å
502	Y	93.3	Very high	93.5	Very high	12 Å²	12	28 Å²	28	5%	0.047	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-60.5	-28.3	-171.4	-46.1	-67.2	0	0	0	114.6	Y386 M460 F461 L493 M499 S504 T514 V515 V516	Y386-Y502 AromaticContact CD1-CE1 3.64Å; Y386-Y502 HydrophobicContact CD1-CE1 3.64Å; Y386-Y502 HydrophobicContact CE1-CD1 4.41Å; Y386-Y502 AromaticContact CE1-CE1 3.82Å; Y386-Y502 HydrophobicContact CE1-CE1 3.82Å; Y386-Y502 HydrophobicContact CG-CE1 4.08Å; M460-Y502 HydrophobicContact CE-CD2 4.47Å; F461-Y502 HydrophobicContact CE2-CE2 4.35Å; F461-Y502 HydrophobicContact CZ-CE2 4.25Å; L493-Y502 HydrophobicContact CD2-CG 4.4Å; M499-Y502 HydrophobicContact CG-CD2 4.32Å; M499-Y502 WeakPolarHBondContact O-CA 3.45Å; M499-Y502 WeakPolarHBondContact O-CB 3.43Å; M499-Y502 PolarHBondContact O-N 2.86Å; Y502-S504 VanDerWaalsContact C-N 3.34Å; Y502-T514 HydrophobicContact CD1-CG2 3.95Å; Y502-V515 VanDerWaalsContact CE1-O 3.29Å; Y502-V515 WeakPolarHBondContact CE1-O 3.46Å; Y502-V516 HydrophobicContact CD1-CG2 3.94Å; Y502-V516 HydrophobicContact CD2-CG2 4.35Å; Y502-V516 HydrophobicContact CE1-CG2 3.94Å; Y502-V516 HydrophobicContact CE2-CG1 4.08Å; Y502-V516 HydrophobicContact CE2-CG2 4.34Å; Y502-V516 HydrophobicContact CG-CG2 4.14Å
503	C	93.8	Very high	93.4	Very high	14 Å²	14	29.6 Å²	29.6	10%	0.095	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-79.9	-13.6	177.5	76.6	0	0	0	0	114.8	L493 E495 C496 M499 P501 Q505	L493-C503 VanDerWaalsContact O-CA 3.23Å; L493-C503 WeakPolarHBondContact O-CA 3.35Å; L493-C503 WeakPolarHBondContact O-CB 3.25Å; E495-C503 VanDerWaalsContact C-CB 3.49Å; E495-C503 WeakPolarHBondContact O-CB 3.43Å; E495-C503 PolarHBondContact O-SG 2.57Å; C496-C503 WeakPolarHBondContact CA-SG 3.44Å; C496-C503 HydrophobicContact CB-CB 4.24Å; C496-C503 WeakPolarHBondContact CB-SG 3.48Å; C496-C503 WeakPolarHBondContact SG-CB 3.23Å; C496-C503 PolarHBondContact SG-O 3.03Å; C496-C503 CovalentContact SG-SG 2.04Å; C496-C503 PolarHBondContact SG-SG 2.82Å; M499-C503 HydrophobicContact CB-CB 4.14Å; M499-C503 PolarHBondContact O-N 3.47Å; P501-C503 PolarHBondContact O-N 3.29Å; P501-C503 VanDerWaalsContact O-N 3.1Å; C503-Q505 VanDerWaalsContact C-N 3.26Å; C503-Q505 PolarHBondContact O-N 3.46Å
504	S	93.5	Very high	93.3	Very high	32 Å²	32	30.3 Å²	30.3	22%	0.224	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-74.9	-15.5	-170.6	65.5	0	0	0	0	113.7	P501 Y502 Y667 R671	P501-S504 VanDerWaalsContact O-CB 3.3Å; P501-S504 WeakPolarHBondContact O-CB 3.49Å; P501-S504 PolarHBondContact O-N 3.05Å; P501-S504 PolarHBondContact O-OG 3.21Å; Y502-S504 VanDerWaalsContact C-N 3.34Å; S504-Y667 VanDerWaalsContact OG-CE1 3.31Å; S504-Y667 WeakPolarHBondContact OG-CE1 2.97Å; S504-Y667 PolarHBondContact OG-OH 3.02Å; S504-R671 PolarHBondContact O-NE 2.96Å; S504-R671 PolarHBondContact O-NH2 3.46Å
505	Q	93.9	Very high	93.3	Very high	25 Å²	25	29.3 Å²	29.3	12%	0.117	17%	0.171	C	C	.	.	S	Bend	trans	-138.6	140.7	171.8	71.9	-177.4	-27.9	0	0	112	C503 R671 V677	C503-Q505 VanDerWaalsContact C-N 3.26Å; C503-Q505 PolarHBondContact O-N 3.46Å; Q505-R671 VanDerWaalsContact CB-CZ 3.42Å; Q505-R671 VanDerWaalsContact CB-NH2 3.32Å; Q505-V677 PolarHBondContact NE2-O 3.46Å; Q505-V677 PolarHBondContact OE1-O 3.17Å
506	P	94.4	Very high	93.4	Very high	25 Å²	25	27.3 Å²	27.3	16%	0.162	16%	0.162	C	C	.	.			trans	-72.4	158.4	166.9	33.3	-35.1	0	0	0	110.6	K614 I616 F676	P506-K614 WeakPolarHBondContact CA-O 3.24Å; P506-K614 HydrophobicContact CB-CB 4.19Å; P506-K614 HydrophobicContact CB-CD 4.27Å; P506-K614 HydrophobicContact CB-CG 4.05Å; P506-K614 WeakPolarHBondContact CB-O 3.5Å; P506-I616 HydrophobicContact CB-CD1 4.5Å; P506-I616 HydrophobicContact CB-CG1 4.15Å; P506-I616 HydrophobicContact CB-CG2 3.8Å; P506-I616 HydrophobicContact CG-CB 4.43Å; P506-I616 HydrophobicContact CG-CD1 3.65Å; P506-I616 HydrophobicContact CG-CG1 3.84Å; P506-I616 HydrophobicContact CG-CG2 3.74Å; P506-F676 HydrophobicContact CG-CE1 4.05Å
507	I	95.8	Very high	93.5	Very high	13 Å²	13	24.6 Å²	24.6	7%	0.067	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-94.8	161.6	175.5	67.9	168.5	0	0	0	111.1	L493 T514 I568 V570 V613 K614 I615 I616	L493-I507 HydrophobicContact CD1-CG2 4.35Å; I507-T514 WeakPolarHBondContact CG2-OG1 3.49Å; I507-I568 HydrophobicContact CD1-CG2 3.97Å; I507-V570 HydrophobicContact CB-CG2 4.15Å; I507-V570 HydrophobicContact CD1-CG2 3.45Å; I507-V570 VanDerWaalsContact CD1-CG2 3.45Å; I507-V570 HydrophobicContact CG1-CG2 3.49Å; I507-V570 VanDerWaalsContact CG1-CG2 3.49Å; I507-V613 HydrophobicContact CB-CG1 4.48Å; I507-V613 HydrophobicContact CD1-CB 4.42Å; I507-V613 HydrophobicContact CD1-CG1 3.33Å; I507-V613 HydrophobicContact CG1-CG1 3.38Å; I507-V613 HydrophobicContact CG2-CG1 4.39Å; I507-K614 PolarHBondContact N-O 2.77Å; I507-I615 HydrophobicContact CG1-CG1 4.19Å; I507-I615 WeakPolarHBondContact O-CA 3.45Å; I507-I616 PolarHBondContact O-N 2.74Å
508	Y	96.1	Very high	93.6	Very high	12 Å²	12	21.9 Å²	21.9	5%	0.047	12%	0.124	C	C	.	.			trans	-152.6	165.4	-179.5	51.5	-96.4	0	0	0	111.2	I616 T618 P619 R624 F676 E678	Y508-I616 WeakPolarHBondContact CB-O 3.29Å; Y508-I616 HydrophobicContact CD1-CD1 4.36Å; Y508-I616 HydrophobicContact CD1-CG1 4.32Å; Y508-T618 HydrophobicContact CD2-CG2 4.35Å; Y508-P619 VanDerWaalsContact CD1-CD 3.49Å; Y508-P619 HydrophobicContact CD1-CG 3.73Å; Y508-P619 VanDerWaalsContact CD2-CD 3.48Å; Y508-P619 HydrophobicContact CD2-CG 4.46Å; Y508-P619 HydrophobicContact CE1-CG 3.69Å; Y508-P619 HydrophobicContact CE2-CG 4.46Å; Y508-P619 HydrophobicContact CG-CG 4.1Å; Y508-R624 PolarHBondContact OH-NE 3.09Å; Y508-F676 HydrophobicContact CD1-CD1 4.23Å; Y508-F676 HydrophobicContact CD1-CE1 4.46Å; Y508-F676 HydrophobicContact CE1-CB 4.01Å; Y508-F676 AromaticContact CE1-CD1 3.56Å; Y508-F676 HydrophobicContact CE1-CD1 3.56Å; Y508-F676 HydrophobicContact CE1-CE1 4.2Å; Y508-F676 AromaticContact CE1-CG 3.85Å; Y508-F676 HydrophobicContact CE1-CG 3.85Å; Y508-F676 WeakPolarHBondContact OH-CB 3.46Å; Y508-E678 VanDerWaalsContact CZ-OE1 3.25Å; Y508-E678 PolarHBondContact OH-OE1 3.08Å
509	Y	95.8	Very high	93.8	Very high	82 Å²	82	21.6 Å²	21.6	32%	0.322	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	135.1	177.8	177.3	-108.3	0	0	0	111.8	V570 K572 A575 T618	Y509-V570 WeakPolarHBondContact CD2-O 3.24Å; Y509-K572 HydrophobicContact CD2-CB 4.33Å; Y509-K572 HydrophobicContact CE1-CG 4.23Å; Y509-K572 VanDerWaalsContact CE2-CA 3.48Å; Y509-K572 HydrophobicContact CE2-CB 3.69Å; Y509-K572 HydrophobicContact CE2-CG 4.15Å; Y509-A575 HydrophobicContact CD1-CB 3.59Å; Y509-A575 HydrophobicContact CE1-CB 4.43Å; Y509-A575 HydrophobicContact CG-CB 3.85Å; Y509-T618 WeakPolarHBondContact O-CG2 3.4Å; Y509-T618 PolarHBondContact O-OG1 3.28Å
510	G	91.7	Very high	93.9	Very high	25 Å²	25	21.6 Å²	21.6	26%	0.258	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	-0.7	178.6	0	0	0	0	0	114.9	R624	G510-R624 PolarHBondContact O-NH2 3.34Å
511	G	92.7	Very high	94	Very high	14 Å²	14	20.8 Å²	20.8	14%	0.144	12%	0.12	C	C	.	.	S	Bend	trans	-82.9	162.9	169.3	0	0	0	0	0	112.9	E678	G511-E678 WeakPolarHBondContact CA-OE2 3.38Å
512	M	92.6	Very high	94.1	Very high	57 Å²	57	20.7 Å²	20.7	28%	0.281	12%	0.12	S	C	.	.	P	Polyproline II helix	trans	-59.2	137.7	172.6	-73.5	-61.1	127	0	0	109.8	T514 L626 E678 F687 Y692	M512-T514 PolarHBondContact O-N 3.12Å; M512-L626 HydrophobicContact CG-CD1 4.11Å; M512-E678 HydrophobicContact CB-CB 4.16Å; M512-E678 WeakPolarHBondContact CB-OE2 3.07Å; M512-E678 HydrophobicContact CG-CB 4.17Å; M512-E678 WeakPolarHBondContact CG-OE2 3.09Å; M512-E678 PolarHBondContact N-OE2 3.36Å; M512-F687 HydrophobicContact CE-CB 3.86Å; M512-Y692 HydrophobicContact CE-CE2 4.05Å; M512-Y692 WeakPolarHBondContact CE-OH 3.37Å; M512-Y692 WeakPolarHBondContact CG-OH 3.42Å; M512-Y692 PolarHBondContact N-OH 3.2Å
513	P	92.6	Very high	94	Very high	41 Å²	41	20.1 Å²	20.1	27%	0.266	12%	0.118	S	C	.	.	P	Polyproline II helix	trans	-58	132.7	177.5	-24.6	34.3	0	0	0	111.7	V515 I568 L932 W934	P513-V515 PolarHBondContact O-N 3.3Å; P513-I568 WeakPolarHBondContact CA-O 3.26Å; P513-L932 HydrophobicContact CB-CD1 3.96Å; P513-L932 HydrophobicContact CG-CD1 3.57Å; P513-W934 HydrophobicContact CG-CH2 4.24Å
514	T	92.4	Very high	93.9	Very high	21 Å²	21	19.8 Å²	19.8	13%	0.129	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	117.3	172.4	-60.3	0	0	0	0	108.8	Y502 I507 M512 V516 I568	Y502-T514 HydrophobicContact CD1-CG2 3.95Å; I507-T514 WeakPolarHBondContact CG2-OG1 3.49Å; M512-T514 PolarHBondContact O-N 3.12Å; T514-V516 HydrophobicContact CG2-CG2 4.44Å; T514-I568 PolarHBondContact N-O 3.37Å; T514-I568 PolarHBondContact O-N 3.27Å
515	V	92.1	Very high	93.7	Very high	32 Å²	32	18.3 Å²	18.3	19%	0.194	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	121.3	-179.9	-175.2	0	0	0	0	110	Y386 Y502 P513 A565 I566	Y386-V515 HydrophobicContact CD2-CB 4.19Å; Y386-V515 WeakPolarHBondContact CD2-O 3.3Å; Y502-V515 VanDerWaalsContact CE1-O 3.29Å; Y502-V515 WeakPolarHBondContact CE1-O 3.46Å; P513-V515 PolarHBondContact O-N 3.3Å; V515-A565 HydrophobicContact CG1-CB 4.29Å; V515-I566 WeakPolarHBondContact CA-O 3.41Å
516	V	93.7	Very high	93.7	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.012	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	119.8	173.5	-175.3	0	0	0	0	109.1	I491 Y502 T514 V518 I566	I491-V516 HydrophobicContact CD1-CB 3.81Å; I491-V516 HydrophobicContact CD1-CG1 3.72Å; I491-V516 HydrophobicContact CD1-CG2 4.25Å; I491-V516 HydrophobicContact CG1-CG1 4.05Å; I491-V516 HydrophobicContact CG2-CG2 4.21Å; Y502-V516 HydrophobicContact CD1-CG2 3.94Å; Y502-V516 HydrophobicContact CD2-CG2 4.35Å; Y502-V516 HydrophobicContact CE1-CG2 3.94Å; Y502-V516 HydrophobicContact CE2-CG1 4.08Å; Y502-V516 HydrophobicContact CE2-CG2 4.34Å; Y502-V516 HydrophobicContact CG-CG2 4.14Å; T514-V516 HydrophobicContact CG2-CG2 4.44Å; V516-V518 HydrophobicContact CG1-CG2 4.38Å; V516-I566 PolarHBondContact N-O 3.49Å; V516-I566 PolarHBondContact O-N 3.1Å
517	N	94.1	Very high	93.6	Very high	21 Å²	21	20.5 Å²	20.5	11%	0.112	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	118.9	178.7	-75.5	-19.1	0	0	0	110.9	Y386 R388 A565	Y386-N517 PolarHBondContact O-ND2 3.29Å; R388-N517 HydrophobicContact CG-CB 3.71Å; N517-A565 WeakPolarHBondContact OD1-CA 2.76Å; N517-A565 WeakPolarHBondContact OD1-CB 3.09Å
518	V	95	Very high	93.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	132.5	-178	-176.4	0	0	0	0	109.3	L486 I491 V516 L564 I566 L609	L486-V518 HydrophobicContact CB-CG1 3.86Å; L486-V518 HydrophobicContact CD2-CG1 4.12Å; L486-V518 HydrophobicContact CG-CG1 4.45Å; I491-V518 HydrophobicContact CD1-CG2 4.29Å; V516-V518 HydrophobicContact CG1-CG2 4.38Å; V518-L564 HydrophobicContact CB-CB 4.32Å; V518-L564 HydrophobicContact CB-CD2 4.38Å; V518-L564 WeakPolarHBondContact CB-O 3.2Å; V518-L564 PolarHBondContact N-O 3.02Å; V518-L564 PolarHBondContact O-N 3.22Å; V518-I566 HydrophobicContact CG2-CD1 4.28Å; V518-L609 HydrophobicContact CG2-CD2 4.06Å
519	T	96.1	Very high	93.5	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.018	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	125.6	171.9	-54.2	0	0	0	0	109.4	M355 R388 L486 S487 L521	M355-T519 HydrophobicContact CB-CG2 4.16Å; M355-T519 HydrophobicContact CG-CG2 4.04Å; M355-T519 HydrophobicContact SD-CG2 3.97Å; M355-T519 PolarHBondContact SD-OG1 3.24Å; R388-T519 WeakPolarHBondContact CD-OG1 3.5Å; L486-T519 WeakPolarHBondContact CA-O 3.34Å; S487-T519 PolarHBondContact N-O 3.01Å; S487-T519 PolarHBondContact O-N 2.81Å; T519-L521 HydrophobicContact CG2-CD2 3.91Å; T519-L521 HydrophobicContact CG2-CG 4.41Å
520	I	96.6	Very high	93.4	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	125.3	168.1	-54	172.9	0	0	0	107.1	L486 I530 L557 S561 G562 L564 V589	L486-I520 HydrophobicContact CD2-CB 4.31Å; L486-I520 HydrophobicContact CD2-CG1 3.79Å; L486-I520 HydrophobicContact CD2-CG2 4.4Å; I520-I530 HydrophobicContact CD1-CD1 3.61Å; I520-I530 HydrophobicContact CD1-CG1 4.47Å; I520-L557 HydrophobicContact CB-CD2 4.36Å; I520-L557 HydrophobicContact CD1-CD2 4.2Å; I520-L557 HydrophobicContact CG2-CD1 3.82Å; I520-L557 HydrophobicContact CG2-CD2 4.41Å; I520-S561 CarbonylContact O-C 3.53Å; I520-S561 WeakPolarHBondContact O-CA 3.39Å; I520-S561 WeakPolarHBondContact O-CB 3.46Å; I520-G562 PolarHBondContact N-O 3.31Å; I520-G562 PolarHBondContact O-N 3.23Å; I520-L564 HydrophobicContact CD1-CB 4.08Å; I520-L564 HydrophobicContact CG1-CB 4.12Å; I520-V589 HydrophobicContact CG2-CG2 4.07Å
521	L	95.9	Very high	93.3	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.01	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	122.7	173.3	-62.2	175.8	0	0	0	108.9	K445 Q446 I449 A484 S485 T519	K445-L521 HydrophobicContact CD-CD1 4.48Å; K445-L521 HydrophobicContact CD-CD2 4.29Å; K445-L521 HydrophobicContact CG-CD1 4.25Å; Q446-L521 HydrophobicContact CG-CB 4.08Å; Q446-L521 HydrophobicContact CG-CD1 4.04Å; Q446-L521 PolarHBondContact NE2-O 2.89Å; Q446-L521 VanDerWaalsContact NE2-O 3.16Å; I449-L521 HydrophobicContact CD1-CD1 3.63Å; A484-L521 CarbonylContact C-O 3.57Å; A484-L521 VanDerWaalsContact CA-O 3.25Å; A484-L521 WeakPolarHBondContact CA-O 3.49Å; S485-L521 PolarHBondContact N-O 3.24Å; S485-L521 PolarHBondContact O-N 3.04Å; T519-L521 HydrophobicContact CG2-CD2 3.91Å; T519-L521 HydrophobicContact CG2-CG 4.41Å
522	N	94.6	Very high	93.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	100.5	178.8	-177	26.6	0	0	0	110.7	A442 M524 G525 T527 L557 W560 S591	A442-N522 WeakPolarHBondContact CB-O 3.34Å; N522-M524 VanDerWaalsContact C-N 3.31Å; N522-M524 WeakPolarHBondContact OD1-CB 3.39Å; N522-M524 VanDerWaalsContact OD1-CE 3.3Å; N522-M524 WeakPolarHBondContact OD1-CE 3.26Å; N522-M524 PolarHBondContact OD1-N 2.95Å; N522-G525 PolarHBondContact ND2-O 3.12Å; N522-T527 PolarHBondContact ND2-O 2.65Å; N522-L557 HydrophobicContact CB-CD1 4Å; N522-W560 PolarHBondContact N-O 3.45Å; N522-S591 PolarHBondContact ND2-OG 3.32Å
523	G	91.8	Very high	93.1	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.01	17%	0.174	C	C	.	.			trans	-84.1	-0.2	176	0	0	0	0	0	115	N440 Y480 Q483	N440-G523 PolarHBondContact ND2-O 3.13Å; N440-G523 VanDerWaalsContact ND2-O 3.12Å; Y480-G523 WeakPolarHBondContact OH-CA 3.44Å; Q483-G523 WeakPolarHBondContact O-CA 3.37Å; Q483-G523 PolarHBondContact O-N 3.28Å
524	M	91	Very high	93.2	Very high	7 Å²	7	32 Å²	32	3%	0.034	16%	0.164	C	C	.	.	S	Bend	trans	-86	-29.3	-175.3	-61.5	178.1	-64.2	0	0	114	P482 N522 V589 Q603 S605	P482-M524 HydrophobicContact CB-CB 4.44Å; P482-M524 HydrophobicContact CB-CG 4.09Å; N522-M524 VanDerWaalsContact C-N 3.31Å; N522-M524 WeakPolarHBondContact OD1-CB 3.39Å; N522-M524 VanDerWaalsContact OD1-CE 3.3Å; N522-M524 WeakPolarHBondContact OD1-CE 3.26Å; N522-M524 PolarHBondContact OD1-N 2.95Å; M524-V589 HydrophobicContact CE-CB 4.19Å; M524-V589 HydrophobicContact CE-CG1 3.88Å; M524-Q603 HydrophobicContact CB-CB 4.37Å; M524-Q603 HydrophobicContact CG-CB 4.4Å; M524-Q603 HydrophobicContact SD-CB 3.85Å; M524-S605 VanDerWaalsContact SD-CB 3.58Å
525	G	90.1	Very high	93.2	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.01	17%	0.172	C	C	.	.			trans	179.1	166.4	179.2	0	0	0	0	0	113.6	N522 T527 W560 S591 E594	N522-G525 PolarHBondContact ND2-O 3.12Å; G525-T527 PolarHBondContact O-N 3.26Å; G525-W560 WeakPolarHBondContact O-CZ3 3.43Å; G525-S591 WeakPolarHBondContact CA-OG 3.35Å; G525-S591 PolarHBondContact N-OG 3.16Å; G525-E594 WeakPolarHBondContact CA-OE1 3.38Å
526	V	92.1	Very high	93.4	Very high	36 Å²	36	32.3 Å²	32.3	22%	0.218	16%	0.164	C	C	.	.	S	Bend	trans	-62.9	-9.8	-178.2	-168.5	0	0	0	0	114	A329 P559 W560	A329-V526 HydrophobicContact CB-CG1 3.72Å; V526-P559 CarbonylContact C-O 3.54Å; V526-P559 WeakPolarHBondContact CA-O 3.44Å; V526-P559 HydrophobicContact CG1-CB 4.24Å; V526-P559 CarbonylContact O-C 3.55Å; V526-W560 HydrophobicContact CB-CH2 4.23Å; V526-W560 HydrophobicContact CB-CZ2 4.15Å; V526-W560 HydrophobicContact CG1-CZ2 4.5Å; V526-W560 HydrophobicContact CG2-CH2 3.46Å; V526-W560 VanDerWaalsContact CG2-CH2 3.46Å; V526-W560 HydrophobicContact CG2-CZ2 3.39Å; V526-W560 HydrophobicContact CG2-CZ3 4.27Å; V526-W560 VanDerWaalsContact N-CZ3 3.29Å
527	T	93.6	Very high	93.5	Very high	60 Å²	60	33.3 Å²	33.3	37%	0.368	17%	0.168	S	C	.	.			trans	-138.2	140.4	172.4	54.4	0	0	0	0	108.8	N522 G525 L557 S591 P592	N522-T527 PolarHBondContact ND2-O 2.65Å; G525-T527 PolarHBondContact O-N 3.26Å; T527-L557 WeakPolarHBondContact CA-O 3.14Å; T527-S591 WeakPolarHBondContact O-CB 3.49Å; T527-S591 PolarHBondContact O-OG 3.22Å; T527-P592 VanDerWaalsContact O-CD 3.31Å; T527-P592 WeakPolarHBondContact O-CD 3.46Å
528	G	93.3	Very high	93.5	Very high	5 Å²	5	32.4 Å²	32.4	5%	0.052	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	160.7	172.8	0	0	0	0	0	110.6	V556 L557 A590	G528-V556 CarbonylContact O-C 3.53Å; G528-V556 WeakPolarHBondContact O-CA 3.33Å; G528-L557 PolarHBondContact N-O 2.76Å; G528-L557 PolarHBondContact O-N 2.85Å; G528-A590 CarbonylContact C-O 3.54Å; G528-A590 VanDerWaalsContact CA-O 3.29Å; G528-A590 WeakPolarHBondContact CA-O 3.23Å
529	R	94.9	Very high	93.4	Very high	124 Å²	124	33.4 Å²	33.4	47%	0.468	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	148.2	167.7	67	178.8	-179.5	-164.3	-2.9	110	S555 V589 A590 E602	R529-S555 WeakPolarHBondContact CA-O 3.44Å; R529-V589 WeakPolarHBondContact O-CA 3.35Å; R529-A590 HydrophobicContact CG-CB 4.17Å; R529-A590 PolarHBondContact N-O 3.04Å; R529-A590 PolarHBondContact O-N 3.38Å; R529-E602 IonicContact CZ-OE1 2.76Å; R529-E602 IonicContact CZ-OE2 3.88Å; R529-E602 IonicContact NE-OE2 3.47Å; R529-E602 IonicContact NH1-OE1 3.73Å; R529-E602 IonicContact NH2-OE1 3.67Å; R529-E602 PolarHBondContact NH2-OE1 3.2Å; R529-E602 IonicContact NH2-OE2 3.67Å; R529-E602 PolarHBondContact NH2-OE2 3.02Å
530	I	94.3	Very high	93.2	Very high	18 Å²	18	36.6 Å²	36.6	9%	0.092	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	117.8	168.9	-62.4	-177	0	0	0	106.8	I520 D532 Y553 S554 S555 I587	I520-I530 HydrophobicContact CD1-CD1 3.61Å; I520-I530 HydrophobicContact CD1-CG1 4.47Å; I530-D532 WeakPolarHBondContact CG2-O 3.36Å; I530-Y553 HydrophobicContact CB-CD2 4.43Å; I530-Y553 HydrophobicContact CB-CE2 4.38Å; I530-Y553 HydrophobicContact CD1-CD2 3.65Å; I530-Y553 HydrophobicContact CD1-CE2 4.4Å; I530-Y553 HydrophobicContact CD1-CG 4.13Å; I530-Y553 HydrophobicContact CG2-CD2 4.4Å; I530-Y553 HydrophobicContact CG2-CE2 4.16Å; I530-S554 VanDerWaalsContact CD1-O 3.3Å; I530-S554 WeakPolarHBondContact CD1-O 3.25Å; I530-S555 PolarHBondContact N-O 3.19Å; I530-I587 HydrophobicContact CG2-CG2 4.27Å
531	V	90.4	Very high	92.9	Very high	65 Å²	65	39.3 Å²	39.3	39%	0.394	20%	0.201	S	C	.	.			trans	-68.8	-52.2	-170.5	-179.8	0	0	0	0	111	T588 A590	V531-T588 HydrophobicContact CB-CG2 4.5Å; V531-T588 HydrophobicContact CG2-CG2 4.19Å; V531-T588 PolarHBondContact N-O 3.09Å; V531-T588 VanDerWaalsContact N-O 3.09Å; V531-A590 HydrophobicContact CG2-CB 3.37Å
532	D	89.4	Confident	92.7	Very high	110 Å²	110	41.2 Å²	41.2	59%	0.588	21%	0.21	S	C	*	.	S	Bend	trans	-126	162.7	-177.8	-67.9	-54.7	0	0	0	110.3	I530	I530-D532 WeakPolarHBondContact CG2-O 3.36Å
533	K	90.9	Very high	92.6	Very high	156 Å²	156	44.3 Å²	44.3	68%	0.678	23%	0.227	S	C	*	.	P	Polyproline II helix	trans	-55.6	138.8	172.3	-80.2	177.7	176.4	-173.1	0	110	D535 Y553	K533-D535 PolarHBondContact O-N 3.37Å; K533-Y553 VanDerWaalsContact CG-OH 3.26Å; K533-Y553 WeakPolarHBondContact CG-OH 3.11Å
534	P	93.9	Very high	92.6	Very high	6 Å²	6	44.2 Å²	44.2	4%	0.039	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-54.4	137.5	173.6	-25.9	34.3	0	0	0	111.9	F551 Y553 L564 V585 M586 I587	P534-F551 HydrophobicContact CB-CD1 4.21Å; P534-F551 HydrophobicContact CB-CD2 3.71Å; P534-F551 HydrophobicContact CB-CE1 4.34Å; P534-F551 HydrophobicContact CB-CE2 3.84Å; P534-F551 HydrophobicContact CB-CG 3.9Å; P534-F551 HydrophobicContact CB-CZ 4.17Å; P534-F551 HydrophobicContact CG-CB 4.3Å; P534-F551 HydrophobicContact CG-CD2 4.3Å; P534-F551 HydrophobicContact CG-CG 4.19Å; P534-F551 WeakPolarHBondContact O-CE2 3.37Å; P534-Y553 HydrophobicContact CG-CD1 3.82Å; P534-Y553 HydrophobicContact CG-CE1 3.91Å; P534-Y553 HydrophobicContact CG-CG 4.44Å; P534-L564 HydrophobicContact CG-CD1 4.11Å; P534-V585 HydrophobicContact CB-CG1 3.92Å; P534-M586 WeakPolarHBondContact CA-O 3.46Å; P534-I587 HydrophobicContact CB-CD1 4.21Å; P534-I587 HydrophobicContact CB-CG1 3.77Å; P534-I587 HydrophobicContact CG-CD1 4.18Å; P534-I587 HydrophobicContact CG-CG1 4Å
535	D	94.3	Very high	92.7	Very high	59 Å²	59	46.6 Å²	46.6	32%	0.316	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	133.5	-178.6	-73	-49.3	0	0	0	111.1	K533 V585 M586 Q938	K533-D535 PolarHBondContact O-N 3.37Å; D535-V585 CarbonylContact O-C 3.43Å; D535-V585 VanDerWaalsContact O-CA 3.28Å; D535-V585 WeakPolarHBondContact O-CA 2.97Å; D535-M586 HydrophobicContact CB-CB 4.29Å; D535-M586 PolarHBondContact N-O 3.02Å; D535-M586 PolarHBondContact O-N 3.37Å; D535-Q938 PolarHBondContact OD1-NE2 3.07Å
536	W	95.6	Very high	92.9	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.008	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	118	173.1	173.1	-128	0	0	0	111.1	P538 I547 V549 F551 G583 H584 V585 I611 A935 Q938	W536-P538 HydrophobicContact CZ2-CB 4.01Å; W536-P538 WeakPolarHBondContact O-CD 3.35Å; W536-I547 HydrophobicContact CZ2-CB 4.12Å; W536-I547 HydrophobicContact CZ2-CG2 4.18Å; W536-I547 PolarHBondContact NE1-O 3.06Å; W536-V549 HydrophobicContact CD2-CB 4.2Å; W536-V549 HydrophobicContact CD2-CG2 3.75Å; W536-V549 HydrophobicContact CE3-CB 4.42Å; W536-V549 HydrophobicContact CE3-CG2 3.84Å; W536-V549 HydrophobicContact CG-CB 4.3Å; W536-V549 HydrophobicContact CG-CG2 4.32Å; W536-V549 HydrophobicContact CH2-CG2 4.07Å; W536-V549 HydrophobicContact CZ2-CG2 4.01Å; W536-V549 HydrophobicContact CZ3-CG2 4Å; W536-F551 HydrophobicContact CB-CE2 4.47Å; W536-F551 HydrophobicContact CB-CZ 4.18Å; W536-G583 VanDerWaalsContact CH2-CA 3.44Å; W536-H584 VanDerWaalsContact CE3-O 3.29Å; W536-V585 HydrophobicContact CE3-CG2 3.95Å; W536-V585 HydrophobicContact CZ3-CG2 4.3Å; W536-I611 HydrophobicContact CH2-CB 4.43Å; W536-I611 HydrophobicContact CZ3-CB 4.28Å; W536-I611 HydrophobicContact CZ3-CD1 4Å; W536-I611 HydrophobicContact CZ3-CG1 4.45Å; W536-A935 HydrophobicContact CB-CB 3.81Å; W536-Q938 PolarHBondContact O-N 3.37Å
537	Q	94.9	Very high	93	Very high	23 Å²	23	45.7 Å²	45.7	11%	0.107	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	91.6	-179.1	-71.4	-176.6	-2.6	0	0	111.4	G583 H584 M586 Q938 L940	Q537-G583 WeakPolarHBondContact O-CA 3.12Å; Q537-H584 PolarHBondContact N-O 3.34Å; Q537-H584 PolarHBondContact O-N 3.4Å; Q537-H584 PolarHBondContact O-ND1 2.91Å; Q537-H584 PolarHBondContact OE1-CE1 3.42Å; Q537-H584 PolarHBondContact OE1-NE2 3.34Å; Q537-H584 VanDerWaalsContact OE1-NE2 3.13Å; Q537-M586 PolarHBondContact OE1-SD 3.14Å; Q537-Q938 WeakPolarHBondContact CA-O 3.42Å; Q537-Q938 HydrophobicContact CG-CB 4Å; Q537-L940 HydrophobicContact CB-CD1 4.01Å; Q537-L940 HydrophobicContact CB-CG 4.27Å
538	P	94.6	Very high	93.1	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	140.8	177.5	26.6	-30.6	0	0	0	112.4	W536 G544 P937 P939 L940	W536-P538 HydrophobicContact CZ2-CB 4.01Å; W536-P538 WeakPolarHBondContact O-CD 3.35Å; P538-G544 WeakPolarHBondContact CB-O 3.44Å; P538-P937 HydrophobicContact CG-CB 3.94Å; P538-P939 HydrophobicContact CG-CB 4.31Å; P538-L940 PolarHBondContact O-N 3.5Å
539	Y	93.6	Very high	93.2	Very high	22 Å²	22	45 Å²	45	9%	0.086	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-86.3	111.9	173.4	-63.4	-68.2	0	0	0	110.3	Q542 N543 G544 Q582 H584 L940 E942 A944	Y539-Q542 CarbonylContact O-C 3.59Å; Y539-Q542 PolarHBondContact O-N 3.37Å; Y539-N543 PolarHBondContact O-N 2.83Å; Y539-G544 PolarHBondContact O-N 3.2Å; Y539-Q582 HydrophobicContact CD2-CB 4.27Å; Y539-Q582 PolarHBondContact N-O 3.42Å; Y539-Q582 VanDerWaalsContact N-O 3.11Å; Y539-H584 HydrophobicContact CE2-CB 4.45Å; Y539-H584 AromaticContact CE2-ND1 3.83Å; Y539-H584 AromaticContact CZ-CE1 3.99Å; Y539-H584 AromaticContact CZ-ND1 3.43Å; Y539-H584 PolarHBondContact OH-ND1 3.14Å; Y539-H584 VanDerWaalsContact OH-ND1 3.17Å; Y539-L940 HydrophobicContact CD1-CB 4.39Å; Y539-L940 HydrophobicContact CE1-CD1 4.21Å; Y539-E942 WeakPolarHBondContact CD1-O 3.34Å; Y539-A944 HydrophobicContact CD2-CB 3.53Å; Y539-A944 HydrophobicContact CE2-CB 3.92Å; Y539-A944 HydrophobicContact CG-CB 3.88Å
540	L	91.1	Very high	93.3	Very high	69 Å²	69	39.1 Å²	39.1	36%	0.361	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-60.6	-43.2	-178.8	-64.3	176.9	0	0	0	113.5	Q542 N543 D545 P939 L940 N941	L540-Q542 PolarHBondContact O-N 3.18Å; L540-Q542 VanDerWaalsContact O-N 3.1Å; L540-N543 PolarHBondContact O-N 3.15Å; L540-N543 VanDerWaalsContact O-N 3.11Å; L540-D545 HydrophobicContact CD2-CB 4.15Å; L540-P939 HydrophobicContact CD1-CB 4.08Å; L540-P939 HydrophobicContact CD2-CB 3.74Å; L540-P939 HydrophobicContact CG-CB 3.91Å; L540-L940 PolarHBondContact N-O 3.41Å; L540-N941 HydrophobicContact CD1-CB 4.47Å
541	P	91.2	Very high	93.3	Very high	59 Å²	59	39.8 Å²	39.8	38%	0.383	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-65.6	-15.9	179.5	-21	34.7	0	0	0	113.9	E942 T943	P541-E942 WeakPolarHBondContact CD-O 3.28Å; P541-T943 HydrophobicContact CB-CG2 4.41Å
542	Q	91.2	Very high	93.4	Very high	42 Å²	42	39.6 Å²	39.6	20%	0.196	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-114.6	27.3	177.1	-70.7	73.8	39.7	0	0	112	Y539 L540 G544 A581 Q582 A944	Y539-Q542 CarbonylContact O-C 3.59Å; Y539-Q542 PolarHBondContact O-N 3.37Å; L540-Q542 PolarHBondContact O-N 3.18Å; L540-Q542 VanDerWaalsContact O-N 3.1Å; Q542-G544 PolarHBondContact O-N 3.08Å; Q542-G544 VanDerWaalsContact O-N 3.08Å; Q542-A581 VanDerWaalsContact O-CA 3.32Å; Q542-A581 WeakPolarHBondContact O-CA 3.41Å; Q542-Q582 HydrophobicContact CB-CB 3.92Å; Q542-Q582 HydrophobicContact CB-CG 4.18Å; Q542-Q582 PolarHBondContact O-N 2.97Å; Q542-A944 HydrophobicContact CB-CB 4.44Å; Q542-A944 HydrophobicContact CG-CB 3.95Å
543	N	93.2	Very high	93.6	Very high	64 Å²	64	37.3 Å²	37.3	34%	0.342	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	28.8	173.4	-41.8	-73.8	0	0	0	114	Y539 L540 D545 N546 W577 A581	Y539-N543 PolarHBondContact O-N 2.83Å; L540-N543 PolarHBondContact O-N 3.15Å; L540-N543 VanDerWaalsContact O-N 3.11Å; N543-D545 WeakPolarHBondContact CA-OD1 3.38Å; N543-D545 PolarHBondContact O-N 2.76Å; N543-D545 VanDerWaalsContact O-N 3.16Å; N543-N546 WeakPolarHBondContact O-CB 3.39Å; N543-N546 PolarHBondContact O-N 3.38Å; N543-W577 HydrophobicContact CB-CH2 3.96Å; N543-W577 HydrophobicContact CB-CZ2 3.95Å; N543-A581 VanDerWaalsContact O-CB 3.23Å; N543-A581 WeakPolarHBondContact O-CB 3.43Å
544	G	89.8	Confident	93.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-60.7	-23.8	-179.6	0	0	0	0	0	113.4	P538 Y539 Q542 N546 I547 Q582	P538-G544 WeakPolarHBondContact CB-O 3.44Å; Y539-G544 PolarHBondContact O-N 3.2Å; Q542-G544 PolarHBondContact O-N 3.08Å; Q542-G544 VanDerWaalsContact O-N 3.08Å; G544-N546 PolarHBondContact O-N 3Å; G544-I547 PolarHBondContact O-N 3Å; G544-I547 VanDerWaalsContact O-N 3.13Å; G544-Q582 WeakPolarHBondContact CA-O 3.36Å
545	D	93.1	Very high	93.5	Very high	56 Å²	56	34.4 Å²	34.4	30%	0.299	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-65.7	-15.5	176.2	65.9	-44.5	0	0	0	112.7	L540 N543 I547 K573	L540-D545 HydrophobicContact CD2-CB 4.15Å; N543-D545 WeakPolarHBondContact CA-OD1 3.38Å; N543-D545 PolarHBondContact O-N 2.76Å; N543-D545 VanDerWaalsContact O-N 3.16Å; D545-I547 PolarHBondContact O-N 3.45Å; D545-K573 VanDerWaalsContact C-CE 3.43Å; D545-K573 WeakPolarHBondContact O-CE 3.42Å; D545-K573 PolarHBondContact O-NZ 2.7Å; D545-K573 IonicContact OD2-NZ 2.68Å; D545-K573 PolarHBondContact OD2-NZ 2.81Å
546	N	94.9	Very high	93.5	Very high	14 Å²	14	35.8 Å²	35.8	8%	0.075	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-74.6	-10.6	173.1	-71.4	-20.4	0	0	0	113.6	N543 G544 T571 K573 A574 A581 I615	N543-N546 WeakPolarHBondContact O-CB 3.39Å; N543-N546 PolarHBondContact O-N 3.38Å; G544-N546 PolarHBondContact O-N 3Å; N546-T571 VanDerWaalsContact C-OG1 3.3Å; N546-T571 WeakPolarHBondContact CA-OG1 3.39Å; N546-T571 PolarHBondContact O-N 3.32Å; N546-T571 PolarHBondContact O-OG1 3.39Å; N546-K573 WeakPolarHBondContact OD1-CE 3.32Å; N546-A574 HydrophobicContact CB-CB 3.75Å; N546-A581 HydrophobicContact CB-CB 4.41Å; N546-I615 HydrophobicContact CB-CD1 3.92Å
547	I	95	Very high	93.5	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.021	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	138.9	-179.9	-58.6	167.6	0	0	0	109.8	W536 G544 D545 V549 I568 A581 V613 I615	W536-I547 HydrophobicContact CZ2-CB 4.12Å; W536-I547 HydrophobicContact CZ2-CG2 4.18Å; W536-I547 PolarHBondContact NE1-O 3.06Å; G544-I547 PolarHBondContact O-N 3Å; G544-I547 VanDerWaalsContact O-N 3.13Å; D545-I547 PolarHBondContact O-N 3.45Å; I547-V549 HydrophobicContact CG2-CG2 3.94Å; I547-I568 HydrophobicContact CG2-CG2 3.68Å; I547-A581 HydrophobicContact CD1-CB 3.36Å; I547-A581 HydrophobicContact CG1-CB 3.63Å; I547-V613 HydrophobicContact CD1-CB 3.91Å; I547-V613 HydrophobicContact CD1-CG2 4Å; I547-I615 HydrophobicContact CG1-CD1 3.93Å
548	E	95.2	Very high	93.4	Very high	51 Å²	51	40.3 Å²	40.3	24%	0.238	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	145.8	166.3	60.7	-171.7	-178	0	0	110.1	S569 T571 W934	E548-S569 PolarHBondContact N-O 2.99Å; E548-S569 PolarHBondContact O-N 2.96Å; E548-S569 PolarHBondContact OE1-OG 2.86Å; E548-T571 HydrophobicContact CB-CG2 3.98Å; E548-T571 HydrophobicContact CG-CG2 4.24Å; E548-W934 HydrophobicContact CB-CD2 4.45Å; E548-W934 HydrophobicContact CB-CE3 3.97Å; E548-W934 HydrophobicContact CB-CZ3 4.44Å; E548-W934 HydrophobicContact CG-CD2 4.13Å; E548-W934 HydrophobicContact CG-CE3 3.72Å; E548-W934 HydrophobicContact CG-CH2 4.29Å; E548-W934 HydrophobicContact CG-CZ3 3.82Å
549	V	96.1	Very high	93.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	137.2	-173.8	-175.4	0	0	0	0	109.3	W536 I547 F551 I566 S567 A935	W536-V549 HydrophobicContact CD2-CB 4.2Å; W536-V549 HydrophobicContact CD2-CG2 3.75Å; W536-V549 HydrophobicContact CE3-CB 4.42Å; W536-V549 HydrophobicContact CE3-CG2 3.84Å; W536-V549 HydrophobicContact CG-CB 4.3Å; W536-V549 HydrophobicContact CG-CG2 4.32Å; W536-V549 HydrophobicContact CH2-CG2 4.07Å; W536-V549 HydrophobicContact CZ2-CG2 4.01Å; W536-V549 HydrophobicContact CZ3-CG2 4Å; I547-V549 HydrophobicContact CG2-CG2 3.94Å; V549-F551 HydrophobicContact CB-CE1 4.38Å; V549-F551 HydrophobicContact CB-CZ 4.31Å; V549-F551 HydrophobicContact CG1-CD1 4.02Å; V549-F551 HydrophobicContact CG1-CE1 3.35Å; V549-F551 HydrophobicContact CG1-CZ 3.73Å; V549-I566 HydrophobicContact CG1-CG2 3.36Å; V549-S567 WeakPolarHBondContact CA-O 3.49Å; V549-A935 VanDerWaalsContact O-CB 3.31Å; V549-A935 WeakPolarHBondContact O-CB 3.42Å; V549-A935 PolarHBondContact O-N 2.88Å
550	A	95.8	Very high	93.5	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.008	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	155.1	169.3	0	0	0	0	0	110.1	S567 L932 W934	A550-S567 PolarHBondContact N-O 3.33Å; A550-S567 PolarHBondContact O-N 2.93Å; A550-L932 HydrophobicContact CB-CB 3.85Å; A550-L932 HydrophobicContact CB-CD2 4.19Å; A550-L932 HydrophobicContact CB-CG 4.41Å; A550-W934 HydrophobicContact CB-CD2 4.39Å; A550-W934 HydrophobicContact CB-CE3 3.76Å; A550-W934 HydrophobicContact CB-CZ3 3.96Å
551	F	94.4	Very high	93.7	Very high	31 Å²	31	36.4 Å²	36.4	14%	0.136	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	138.4	-173.2	-51.4	-63.5	0	0	0	111.3	P534 W536 V549 Y553 L564 A565 I566 V585 A935	P534-F551 HydrophobicContact CB-CD1 4.21Å; P534-F551 HydrophobicContact CB-CD2 3.71Å; P534-F551 HydrophobicContact CB-CE1 4.34Å; P534-F551 HydrophobicContact CB-CE2 3.84Å; P534-F551 HydrophobicContact CB-CG 3.9Å; P534-F551 HydrophobicContact CB-CZ 4.17Å; P534-F551 HydrophobicContact CG-CB 4.3Å; P534-F551 HydrophobicContact CG-CD2 4.3Å; P534-F551 HydrophobicContact CG-CG 4.19Å; P534-F551 WeakPolarHBondContact O-CE2 3.37Å; W536-F551 HydrophobicContact CB-CE2 4.47Å; W536-F551 HydrophobicContact CB-CZ 4.18Å; V549-F551 HydrophobicContact CB-CE1 4.38Å; V549-F551 HydrophobicContact CB-CZ 4.31Å; V549-F551 HydrophobicContact CG1-CD1 4.02Å; V549-F551 HydrophobicContact CG1-CE1 3.35Å; V549-F551 HydrophobicContact CG1-CZ 3.73Å; F551-Y553 HydrophobicContact CB-CD1 4.1Å; F551-Y553 HydrophobicContact CB-CE1 4.5Å; F551-L564 HydrophobicContact CD1-CD1 4.39Å; F551-A565 WeakPolarHBondContact CA-O 3.24Å; F551-I566 HydrophobicContact CD1-CG1 4.34Å; F551-I566 HydrophobicContact CE1-CG2 4.38Å; F551-V585 HydrophobicContact CD1-CG1 4.39Å; F551-V585 HydrophobicContact CE1-CB 4.22Å; F551-V585 HydrophobicContact CE1-CG1 3.52Å; F551-V585 HydrophobicContact CE1-CG2 3.59Å; F551-V585 HydrophobicContact CZ-CB 4.37Å; F551-V585 HydrophobicContact CZ-CG1 3.62Å; F551-V585 HydrophobicContact CZ-CG2 3.85Å; F551-A935 HydrophobicContact CD2-CB 4.1Å; F551-A935 HydrophobicContact CE2-CB 3.47Å; F551-A935 VanDerWaalsContact CE2-CB 3.47Å; F551-A935 HydrophobicContact CZ-CB 4.26Å
552	S	92.6	Very high	93.8	Very high	61 Å²	61	34 Å²	34	43%	0.427	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	132.1	160.6	173.9	0	0	0	0	107.8	A565	S552-A565 PolarHBondContact N-O 3.11Å; S552-A565 PolarHBondContact O-N 2.95Å
553	Y	93.6	Very high	93.9	Very high	63 Å²	63	36.4 Å²	36.4	25%	0.247	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	156.5	-170.7	58.6	-94.3	0	0	0	112.4	I530 K533 P534 F551 Y563	I530-Y553 HydrophobicContact CB-CD2 4.43Å; I530-Y553 HydrophobicContact CB-CE2 4.38Å; I530-Y553 HydrophobicContact CD1-CD2 3.65Å; I530-Y553 HydrophobicContact CD1-CE2 4.4Å; I530-Y553 HydrophobicContact CD1-CG 4.13Å; I530-Y553 HydrophobicContact CG2-CD2 4.4Å; I530-Y553 HydrophobicContact CG2-CE2 4.16Å; K533-Y553 VanDerWaalsContact CG-OH 3.26Å; K533-Y553 WeakPolarHBondContact CG-OH 3.11Å; P534-Y553 HydrophobicContact CG-CD1 3.82Å; P534-Y553 HydrophobicContact CG-CE1 3.91Å; P534-Y553 HydrophobicContact CG-CG 4.44Å; F551-Y553 HydrophobicContact CB-CD1 4.1Å; F551-Y553 HydrophobicContact CB-CE1 4.5Å; Y553-Y563 VanDerWaalsContact CA-O 3.28Å; Y553-Y563 WeakPolarHBondContact CA-O 3.17Å; Y553-Y563 WeakPolarHBondContact CB-O 3.45Å
554	S	93.3	Very high	94	Very high	14 Å²	14	33.4 Å²	33.4	10%	0.098	17%	0.174	C	C	.	.			trans	-73.1	126	172.6	53	0	0	0	0	111.1	I530 V556 L557 G562 Y563	I530-S554 VanDerWaalsContact CD1-O 3.3Å; I530-S554 WeakPolarHBondContact CD1-O 3.25Å; S554-V556 VanDerWaalsContact C-N 3.32Å; S554-V556 WeakPolarHBondContact CB-O 3.39Å; S554-L557 WeakPolarHBondContact OG-CD2 3.33Å; S554-G562 WeakPolarHBondContact OG-CA 3.31Å; S554-Y563 PolarHBondContact N-O 3.05Å; S554-Y563 PolarHBondContact OG-N 3.49Å; S554-Y563 VanDerWaalsContact OG-N 3.08Å; S554-Y563 PolarHBondContact OG-O 2.83Å
555	S	90.9	Very high	94.2	Very high	86 Å²	86	33.9 Å²	33.9	60%	0.601	18%	0.178	S	C	*	.	S	Bend	trans	-65.6	-37.1	174.3	53.5	0	0	0	0	112.3	R529 I530	R529-S555 WeakPolarHBondContact CA-O 3.44Å; I530-S555 PolarHBondContact N-O 3.19Å
556	V	94.3	Very high	94.3	Very high	88 Å²	88	31.2 Å²	31.2	53%	0.533	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	134.6	178.4	-178.6	0	0	0	0	109.2	G528 S554 W558	G528-V556 CarbonylContact O-C 3.53Å; G528-V556 WeakPolarHBondContact O-CA 3.33Å; S554-V556 VanDerWaalsContact C-N 3.32Å; S554-V556 WeakPolarHBondContact CB-O 3.39Å; V556-W558 HydrophobicContact CG1-CB 4.47Å
557	L	94.9	Very high	94.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	120.6	171	-44.8	-179.4	0	0	0	107.4	I520 N522 T527 G528 S554 S561 V589	I520-L557 HydrophobicContact CB-CD2 4.36Å; I520-L557 HydrophobicContact CD1-CD2 4.2Å; I520-L557 HydrophobicContact CG2-CD1 3.82Å; I520-L557 HydrophobicContact CG2-CD2 4.41Å; N522-L557 HydrophobicContact CB-CD1 4Å; T527-L557 WeakPolarHBondContact CA-O 3.14Å; G528-L557 PolarHBondContact N-O 2.76Å; G528-L557 PolarHBondContact O-N 2.85Å; S554-L557 WeakPolarHBondContact OG-CD2 3.33Å; L557-S561 WeakPolarHBondContact CA-O 3.29Å; L557-V589 HydrophobicContact CD1-CG1 3.51Å; L557-V589 HydrophobicContact CD1-CG2 4.16Å
558	W	93.7	Very high	94.3	Very high	120 Å²	120	30.8 Å²	30.8	46%	0.455	16%	0.162	S	C	.	.			trans	-156	137.3	178.8	176.4	94.3	0	0	0	109.9	W325 V556 S561	W325-W558 HydrophobicContact CB-CH2 3.35Å; W325-W558 HydrophobicContact CB-CZ2 4.23Å; W325-W558 HydrophobicContact CB-CZ3 3.69Å; W325-W558 HydrophobicContact CD2-CH2 4.05Å; W325-W558 AromaticContact CD2-CZ3 3.65Å; W325-W558 HydrophobicContact CD2-CZ3 3.65Å; W325-W558 AromaticContact CE3-CH2 3.71Å; W325-W558 HydrophobicContact CE3-CH2 3.71Å; W325-W558 AromaticContact CE3-CZ3 3.37Å; W325-W558 HydrophobicContact CE3-CZ3 3.37Å; W325-W558 AromaticContact CG-CH2 4Å; W325-W558 HydrophobicContact CG-CH2 4Å; W325-W558 AromaticContact CG-CZ3 3.85Å; W325-W558 HydrophobicContact CG-CZ3 3.85Å; W325-W558 HydrophobicContact CZ3-CZ3 4.11Å; V556-W558 HydrophobicContact CG1-CB 4.47Å; W558-S561 PolarHBondContact N-O 2.87Å; W558-S561 VanDerWaalsContact N-O 3.13Å
559	P	93.8	Very high	94.3	Very high	1 Å²	1	29 Å²	29	1%	0.006	16%	0.156	C	C	.	.	S	Bend	cis	-74.3	-44	-8.1	-13.6	28.8	0	0	0	112.3	W325 A329 D356 V526	W325-P559 HydrophobicContact CB-CG 3.82Å; W325-P559 HydrophobicContact CG-CG 4.4Å; W325-P559 WeakPolarHBondContact O-CG 3.5Å; A329-P559 HydrophobicContact CB-CB 3.99Å; A329-P559 HydrophobicContact CB-CG 4.49Å; D356-P559 WeakPolarHBondContact OD2-CD 3.21Å; V526-P559 CarbonylContact C-O 3.54Å; V526-P559 WeakPolarHBondContact CA-O 3.44Å; V526-P559 HydrophobicContact CG1-CB 4.24Å; V526-P559 CarbonylContact O-C 3.55Å
560	W	94.7	Very high	94.3	Very high	1 Å²	1	29.1 Å²	29.1	0%	0.004	16%	0.156	C	C	.	.	S	Bend	trans	-125.1	-1.6	-177.8	-59	99.7	0	0	0	113	T328 N331 D356 N440 P441 A442 N522 G525 V526 E594	T328-W560 PolarHBondContact O-NE1 3.25Å; N331-W560 WeakPolarHBondContact OD1-CH2 3.49Å; N331-W560 WeakPolarHBondContact OD1-CZ2 3.24Å; D356-W560 WeakPolarHBondContact OD1-CA 3.42Å; D356-W560 WeakPolarHBondContact OD1-CB 3.3Å; D356-W560 PolarHBondContact OD1-N 2.92Å; N440-W560 HydrophobicContact CB-CH2 3.63Å; N440-W560 HydrophobicContact CB-CZ2 4.03Å; N440-W560 HydrophobicContact CB-CZ3 3.95Å; P441-W560 HydrophobicContact CB-CG 4.48Å; A442-W560 HydrophobicContact CB-CB 3.8Å; A442-W560 HydrophobicContact CB-CD2 4.42Å; A442-W560 HydrophobicContact CB-CE3 4.15Å; A442-W560 HydrophobicContact CB-CG 4.33Å; N522-W560 PolarHBondContact N-O 3.45Å; G525-W560 WeakPolarHBondContact O-CZ3 3.43Å; V526-W560 HydrophobicContact CB-CH2 4.23Å; V526-W560 HydrophobicContact CB-CZ2 4.15Å; V526-W560 HydrophobicContact CG1-CZ2 4.5Å; V526-W560 HydrophobicContact CG2-CH2 3.46Å; V526-W560 VanDerWaalsContact CG2-CH2 3.46Å; V526-W560 HydrophobicContact CG2-CZ2 3.39Å; V526-W560 HydrophobicContact CG2-CZ3 4.27Å; V526-W560 VanDerWaalsContact N-CZ3 3.29Å; W560-E594 WeakPolarHBondContact CH2-OE1 3.18Å
561	S	95.4	Very high	94.2	Very high	8 Å²	8	30 Å²	30	6%	0.056	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	162.5	-173.8	65.4	0	0	0	0	113.1	M355 D356 I520 L557 W558	M355-S561 WeakPolarHBondContact CB-OG 3.43Å; D356-S561 VanDerWaalsContact CG-OG 3.27Å; D356-S561 WeakPolarHBondContact OD1-CB 3.32Å; D356-S561 PolarHBondContact OD1-N 3.18Å; D356-S561 VanDerWaalsContact OD1-N 3.07Å; D356-S561 PolarHBondContact OD1-OG 3.43Å; D356-S561 PolarHBondContact OD2-OG 3.23Å; I520-S561 CarbonylContact O-C 3.53Å; I520-S561 WeakPolarHBondContact O-CA 3.39Å; I520-S561 WeakPolarHBondContact O-CB 3.46Å; L557-S561 WeakPolarHBondContact CA-O 3.29Å; W558-S561 PolarHBondContact N-O 2.87Å; W558-S561 VanDerWaalsContact N-O 3.13Å
562	G	94.8	Very high	94.2	Very high	8 Å²	8	36.1 Å²	36.1	8%	0.082	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	-171.1	168.4	0	0	0	0	0	110.3	I520 S554	I520-G562 PolarHBondContact N-O 3.31Å; I520-G562 PolarHBondContact O-N 3.23Å; S554-G562 WeakPolarHBondContact OG-CA 3.31Å
563	Y	93.7	Very high	94.2	Very high	94 Å²	94	38.8 Å²	38.8	37%	0.369	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	149.5	-176.5	76.5	-90.6	0	0	0	111.9	Y553 S554	Y553-Y563 VanDerWaalsContact CA-O 3.28Å; Y553-Y563 WeakPolarHBondContact CA-O 3.17Å; Y553-Y563 WeakPolarHBondContact CB-O 3.45Å; S554-Y563 PolarHBondContact N-O 3.05Å; S554-Y563 PolarHBondContact OG-N 3.49Å; S554-Y563 VanDerWaalsContact OG-N 3.08Å; S554-Y563 PolarHBondContact OG-O 2.83Å
564	L	94.6	Very high	94.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	106.2	168.9	172.6	75.7	0	0	0	107.6	V518 I520 P534 F551 I566 I587 L609	V518-L564 HydrophobicContact CB-CB 4.32Å; V518-L564 HydrophobicContact CB-CD2 4.38Å; V518-L564 WeakPolarHBondContact CB-O 3.2Å; V518-L564 PolarHBondContact N-O 3.02Å; V518-L564 PolarHBondContact O-N 3.22Å; I520-L564 HydrophobicContact CD1-CB 4.08Å; I520-L564 HydrophobicContact CG1-CB 4.12Å; P534-L564 HydrophobicContact CG-CD1 4.11Å; F551-L564 HydrophobicContact CD1-CD1 4.39Å; L564-I566 HydrophobicContact CD1-CG1 4.49Å; L564-I566 HydrophobicContact CD2-CD1 3.79Å; L564-I566 HydrophobicContact CD2-CG1 4.02Å; L564-I566 HydrophobicContact CG-CD1 4.22Å; L564-I566 HydrophobicContact CG-CG1 3.88Å; L564-I587 HydrophobicContact CD1-CD1 3.62Å; L564-I587 HydrophobicContact CD2-CD1 3.18Å; L564-I587 HydrophobicContact CG-CD1 3.93Å; L564-L609 HydrophobicContact CD2-CD2 4.44Å
565	A	93.5	Very high	94.3	Very high	10 Å²	10	36.4 Å²	36.4	8%	0.083	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	127.6	169.9	0	0	0	0	0	109.4	V515 N517 F551 S552	V515-A565 HydrophobicContact CG1-CB 4.29Å; N517-A565 WeakPolarHBondContact OD1-CA 2.76Å; N517-A565 WeakPolarHBondContact OD1-CB 3.09Å; F551-A565 WeakPolarHBondContact CA-O 3.24Å; S552-A565 PolarHBondContact N-O 3.11Å; S552-A565 PolarHBondContact O-N 2.95Å
566	I	94.6	Very high	94.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	114.5	-178.9	-56.4	-179.7	0	0	0	108.3	I491 V515 V516 V518 V549 F551 L564 I568 V585 L609 I611	I491-I566 HydrophobicContact CD1-CD1 3.9Å; V515-I566 WeakPolarHBondContact CA-O 3.41Å; V516-I566 PolarHBondContact N-O 3.49Å; V516-I566 PolarHBondContact O-N 3.1Å; V518-I566 HydrophobicContact CG2-CD1 4.28Å; V549-I566 HydrophobicContact CG1-CG2 3.36Å; F551-I566 HydrophobicContact CD1-CG1 4.34Å; F551-I566 HydrophobicContact CE1-CG2 4.38Å; L564-I566 HydrophobicContact CD1-CG1 4.49Å; L564-I566 HydrophobicContact CD2-CD1 3.79Å; L564-I566 HydrophobicContact CD2-CG1 4.02Å; L564-I566 HydrophobicContact CG-CD1 4.22Å; L564-I566 HydrophobicContact CG-CG1 3.88Å; I566-I568 HydrophobicContact CG2-CD1 4.36Å; I566-I568 HydrophobicContact CG2-CG1 3.83Å; I566-V585 HydrophobicContact CD1-CG2 4.4Å; I566-L609 HydrophobicContact CD1-CD2 3.11Å; I566-I611 HydrophobicContact CD1-CD1 4.41Å; I566-I611 HydrophobicContact CG2-CD1 3.98Å
567	S	94.6	Very high	94.5	Very high	8 Å²	8	36.4 Å²	36.4	6%	0.056	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	115.3	174.6	-54.3	0	0	0	0	109.1	V549 A550	V549-S567 WeakPolarHBondContact CA-O 3.49Å; A550-S567 PolarHBondContact N-O 3.33Å; A550-S567 PolarHBondContact O-N 2.93Å
568	I	95.4	Very high	94.6	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	127.2	-175.6	-53.2	173.4	0	0	0	109.2	I491 I507 P513 T514 I547 I566 I611 V613	I491-I568 HydrophobicContact CG2-CD1 4.32Å; I507-I568 HydrophobicContact CD1-CG2 3.97Å; P513-I568 WeakPolarHBondContact CA-O 3.26Å; T514-I568 PolarHBondContact N-O 3.37Å; T514-I568 PolarHBondContact O-N 3.27Å; I547-I568 HydrophobicContact CG2-CG2 3.68Å; I566-I568 HydrophobicContact CG2-CD1 4.36Å; I566-I568 HydrophobicContact CG2-CG1 3.83Å; I568-I611 HydrophobicContact CD1-CD1 4.44Å; I568-I611 HydrophobicContact CD1-CG2 3.95Å; I568-V613 HydrophobicContact CG2-CG2 4.21Å
569	S	95.4	Very high	94.6	Very high	15 Å²	15	37.9 Å²	37.9	11%	0.105	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	162.2	176.7	176.1	0	0	0	0	111.4	E548	E548-S569 PolarHBondContact N-O 2.99Å; E548-S569 PolarHBondContact O-N 2.96Å; E548-S569 PolarHBondContact OE1-OG 2.86Å
570	V	96.1	Very high	94.7	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	134.4	176.6	-179.5	0	0	0	0	109.2	I507 Y509 A574 I615	I507-V570 HydrophobicContact CB-CG2 4.15Å; I507-V570 HydrophobicContact CD1-CG2 3.45Å; I507-V570 VanDerWaalsContact CD1-CG2 3.45Å; I507-V570 HydrophobicContact CG1-CG2 3.49Å; I507-V570 VanDerWaalsContact CG1-CG2 3.49Å; Y509-V570 WeakPolarHBondContact CD2-O 3.24Å; V570-A574 HydrophobicContact CG1-CB 3.64Å; V570-I615 HydrophobicContact CG1-CD1 4.25Å; V570-I615 HydrophobicContact CG1-CG2 3.88Å; V570-I615 HydrophobicContact CG2-CD1 4.19Å; V570-I615 HydrophobicContact CG2-CG1 4.15Å; V570-I615 HydrophobicContact CG2-CG2 4.01Å
571	T	94.9	Very high	94.7	Very high	20 Å²	20	41.4 Å²	41.4	12%	0.123	22%	0.216	C	C	.	.			trans	-70.6	152.2	175.5	60.5	0	0	0	0	112	N546 E548 K573 A574	N546-T571 VanDerWaalsContact C-OG1 3.3Å; N546-T571 WeakPolarHBondContact CA-OG1 3.39Å; N546-T571 PolarHBondContact O-N 3.32Å; N546-T571 PolarHBondContact O-OG1 3.39Å; E548-T571 HydrophobicContact CB-CG2 3.98Å; E548-T571 HydrophobicContact CG-CG2 4.24Å; T571-K573 PolarHBondContact O-N 2.97Å; T571-K573 VanDerWaalsContact O-N 3.1Å; T571-K573 WeakPolarHBondContact OG1-CE 3.44Å; T571-K573 VanDerWaalsContact OG1-CG 3.23Å; T571-K573 WeakPolarHBondContact OG1-CG 3.39Å; T571-A574 PolarHBondContact O-N 2.97Å
572	K	93.8	Very high	94.6	Very high	159 Å²	159	42.6 Å²	42.6	69%	0.691	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-54.8	-32.1	-179.7	-173.7	174	-178	176.9	0	114.5	Y509 A574 A575	Y509-K572 HydrophobicContact CD2-CB 4.33Å; Y509-K572 HydrophobicContact CE1-CG 4.23Å; Y509-K572 VanDerWaalsContact CE2-CA 3.48Å; Y509-K572 HydrophobicContact CE2-CB 3.69Å; Y509-K572 HydrophobicContact CE2-CG 4.15Å; K572-A574 PolarHBondContact O-N 3.27Å; K572-A575 WeakPolarHBondContact O-CB 3.33Å; K572-A575 PolarHBondContact O-N 3.09Å
573	K	92.9	Very high	94.6	Very high	117 Å²	117	42.2 Å²	42.2	51%	0.509	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-65.5	-22.8	178.4	61.1	174.2	176.8	-169.1	0	113.5	D545 N546 T571	D545-K573 VanDerWaalsContact C-CE 3.43Å; D545-K573 WeakPolarHBondContact O-CE 3.42Å; D545-K573 PolarHBondContact O-NZ 2.7Å; D545-K573 IonicContact OD2-NZ 2.68Å; D545-K573 PolarHBondContact OD2-NZ 2.81Å; N546-K573 WeakPolarHBondContact OD1-CE 3.32Å; T571-K573 PolarHBondContact O-N 2.97Å; T571-K573 VanDerWaalsContact O-N 3.1Å; T571-K573 WeakPolarHBondContact OG1-CE 3.44Å; T571-K573 VanDerWaalsContact OG1-CG 3.23Å; T571-K573 WeakPolarHBondContact OG1-CG 3.39Å
574	A	94.1	Very high	94.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-99.3	15	-178.7	0	0	0	0	0	112.8	N546 V570 T571 K572 S576 W577	N546-A574 HydrophobicContact CB-CB 3.75Å; V570-A574 HydrophobicContact CG1-CB 3.64Å; T571-A574 PolarHBondContact O-N 2.97Å; K572-A574 PolarHBondContact O-N 3.27Å; A574-S576 VanDerWaalsContact C-N 3.28Å; A574-S576 PolarHBondContact O-N 3.29Å; A574-W577 HydrophobicContact CB-CB 4.02Å; A574-W577 HydrophobicContact CB-CE3 4.49Å; A574-W577 PolarHBondContact O-N 3.48Å; A574-W577 VanDerWaalsContact O-N 3.11Å
575	A	94.1	Very high	94.7	Very high	27 Å²	27	37.8 Å²	37.8	22%	0.223	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-33.6	-177.9	0	0	0	0	0	114.3	Y509 K572 P617 T618	Y509-A575 HydrophobicContact CD1-CB 3.59Å; Y509-A575 HydrophobicContact CE1-CB 4.43Å; Y509-A575 HydrophobicContact CG-CB 3.85Å; K572-A575 WeakPolarHBondContact O-CB 3.33Å; K572-A575 PolarHBondContact O-N 3.09Å; A575-P617 WeakPolarHBondContact O-CA 3.36Å; A575-T618 PolarHBondContact O-N 3.25Å
576	S	94.8	Very high	94.8	Very high	107 Å²	107	39.2 Å²	39.2	75%	0.748	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.1	9	175.9	57.1	0	0	0	0	113.2	A574	A574-S576 VanDerWaalsContact C-N 3.28Å; A574-S576 PolarHBondContact O-N 3.29Å
577	W	95.6	Very high	94.8	Very high	68 Å²	68	39.4 Å²	39.4	26%	0.258	21%	0.206	S	C	.	.			trans	-92.6	145.9	-174.7	-175.9	81.1	0	0	0	111.3	N543 A574 G579 A581 I615 I616	N543-W577 HydrophobicContact CB-CH2 3.96Å; N543-W577 HydrophobicContact CB-CZ2 3.95Å; A574-W577 HydrophobicContact CB-CB 4.02Å; A574-W577 HydrophobicContact CB-CE3 4.49Å; A574-W577 PolarHBondContact O-N 3.48Å; A574-W577 VanDerWaalsContact O-N 3.11Å; W577-G579 VanDerWaalsContact CH2-C 3.41Å; W577-G579 VanDerWaalsContact CH2-CA 3.42Å; W577-A581 HydrophobicContact CH2-CB 4.46Å; W577-A581 HydrophobicContact CZ3-CB 4.37Å; W577-I615 HydrophobicContact CE3-CB 3.8Å; W577-I615 HydrophobicContact CE3-CD1 4.14Å; W577-I615 HydrophobicContact CE3-CG1 4.46Å; W577-I615 HydrophobicContact CE3-CG2 3.94Å; W577-I615 HydrophobicContact CZ3-CB 3.73Å; W577-I615 HydrophobicContact CZ3-CD1 3.83Å; W577-I615 HydrophobicContact CZ3-CG1 4.08Å; W577-I615 HydrophobicContact CZ3-CG2 4.37Å; W577-I616 CarbonylContact O-C 3.29Å; W577-I616 VanDerWaalsContact O-C 3.29Å
578	E	96.1	Very high	94.8	Very high	129 Å²	129	40.8 Å²	40.8	60%	0.603	21%	0.214	S	C	*	.			trans	-125.2	131.9	173.3	-168.3	177.2	173.2	0	0	109.7	I615 I616 P617	E578-I615 WeakPolarHBondContact CA-O 3.4Å; E578-I616 HydrophobicContact CG-CG2 4.43Å; E578-P617 HydrophobicContact CB-CG 4.42Å
579	G	94.8	Very high	94.8	Very high	22 Å²	22	40.8 Å²	40.8	23%	0.227	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.9	-166.9	175.2	0	0	0	0	0	113.9	W577 I615	W577-G579 VanDerWaalsContact CH2-C 3.41Å; W577-G579 VanDerWaalsContact CH2-CA 3.42Å; G579-I615 PolarHBondContact N-O 3.04Å; G579-I615 PolarHBondContact O-N 2.91Å
580	I	94.9	Very high	94.7	Very high	75 Å²	75	40.2 Å²	40.2	39%	0.385	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	129	176.7	-61.9	172	0	0	0	108.3	T494 Q582 K612 V613	T494-I580 HydrophobicContact CG2-CD1 4.39Å; T494-I580 HydrophobicContact CG2-CG1 4.44Å; I580-Q582 HydrophobicContact CG2-CG 4.15Å; I580-K612 HydrophobicContact CG2-CD 4.3Å; I580-K612 HydrophobicContact CG2-CG 3.84Å; I580-V613 WeakPolarHBondContact CA-O 3.45Å
581	A	94.6	Very high	94.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	141.5	175.5	0	0	0	0	0	110.4	Q542 N543 N546 I547 W577 V613 I615	Q542-A581 VanDerWaalsContact O-CA 3.32Å; Q542-A581 WeakPolarHBondContact O-CA 3.41Å; N543-A581 VanDerWaalsContact O-CB 3.23Å; N543-A581 WeakPolarHBondContact O-CB 3.43Å; N546-A581 HydrophobicContact CB-CB 4.41Å; I547-A581 HydrophobicContact CD1-CB 3.36Å; I547-A581 HydrophobicContact CG1-CB 3.63Å; W577-A581 HydrophobicContact CH2-CB 4.46Å; W577-A581 HydrophobicContact CZ3-CB 4.37Å; A581-V613 PolarHBondContact N-O 2.96Å; A581-V613 PolarHBondContact O-N 3.09Å; A581-I615 HydrophobicContact CB-CD1 3.77Å; A581-I615 HydrophobicContact CB-CG1 4.45Å
582	Q	94.2	Very high	94.1	Very high	33 Å²	33	42.5 Å²	42.5	15%	0.154	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	143.7	-174.4	-58.1	-174.4	31.9	0	0	112.8	Y539 Q542 G544 I580 I611 K612 A944	Y539-Q582 HydrophobicContact CD2-CB 4.27Å; Y539-Q582 PolarHBondContact N-O 3.42Å; Y539-Q582 VanDerWaalsContact N-O 3.11Å; Q542-Q582 HydrophobicContact CB-CB 3.92Å; Q542-Q582 HydrophobicContact CB-CG 4.18Å; Q542-Q582 PolarHBondContact O-N 2.97Å; G544-Q582 WeakPolarHBondContact CA-O 3.36Å; I580-Q582 HydrophobicContact CG2-CG 4.15Å; Q582-I611 WeakPolarHBondContact CA-O 3.46Å; Q582-K612 HydrophobicContact CG-CB 4.09Å; Q582-K612 HydrophobicContact CG-CD 4.28Å; Q582-K612 HydrophobicContact CG-CG 3.93Å; Q582-A944 HydrophobicContact CB-CB 4.2Å
583	G	94.2	Very high	93	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	-169.6	171.8	0	0	0	0	0	110.5	W536 Q537 I611	W536-G583 VanDerWaalsContact CH2-CA 3.44Å; Q537-G583 WeakPolarHBondContact O-CA 3.12Å; G583-I611 PolarHBondContact N-O 2.72Å; G583-I611 PolarHBondContact O-N 3.41Å; G583-I611 VanDerWaalsContact O-O 3.13Å
584	H	94.8	Very high	91.6	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	157.2	170.5	71.5	-69.7	0	0	0	112.2	W536 Q537 Y539 L609	W536-H584 VanDerWaalsContact CE3-O 3.29Å; Q537-H584 PolarHBondContact N-O 3.34Å; Q537-H584 PolarHBondContact O-N 3.4Å; Q537-H584 PolarHBondContact O-ND1 2.91Å; Q537-H584 PolarHBondContact OE1-CE1 3.42Å; Q537-H584 PolarHBondContact OE1-NE2 3.34Å; Q537-H584 VanDerWaalsContact OE1-NE2 3.13Å; Y539-H584 HydrophobicContact CE2-CB 4.45Å; Y539-H584 AromaticContact CE2-ND1 3.83Å; Y539-H584 AromaticContact CZ-CE1 3.99Å; Y539-H584 AromaticContact CZ-ND1 3.43Å; Y539-H584 PolarHBondContact OH-ND1 3.14Å; Y539-H584 VanDerWaalsContact OH-ND1 3.17Å; H584-L609 CarbonylContact C-O 3.51Å; H584-L609 WeakPolarHBondContact CA-O 3.27Å; H584-L609 WeakPolarHBondContact CB-O 3.1Å
585	V	95.5	Very high	89.7	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	133	175.1	-177.6	0	0	0	0	108.5	P534 D535 W536 F551 I566 I587 K608 L609 I611	P534-V585 HydrophobicContact CB-CG1 3.92Å; D535-V585 CarbonylContact O-C 3.43Å; D535-V585 VanDerWaalsContact O-CA 3.28Å; D535-V585 WeakPolarHBondContact O-CA 2.97Å; W536-V585 HydrophobicContact CE3-CG2 3.95Å; W536-V585 HydrophobicContact CZ3-CG2 4.3Å; F551-V585 HydrophobicContact CD1-CG1 4.39Å; F551-V585 HydrophobicContact CE1-CB 4.22Å; F551-V585 HydrophobicContact CE1-CG1 3.52Å; F551-V585 HydrophobicContact CE1-CG2 3.59Å; F551-V585 HydrophobicContact CZ-CB 4.37Å; F551-V585 HydrophobicContact CZ-CG1 3.62Å; F551-V585 HydrophobicContact CZ-CG2 3.85Å; I566-V585 HydrophobicContact CD1-CG2 4.4Å; V585-I587 HydrophobicContact CG1-CD1 4.26Å; V585-I587 HydrophobicContact CG1-CG1 4.11Å; V585-K608 CarbonylContact O-C 3.55Å; V585-K608 WeakPolarHBondContact O-CA 3.43Å; V585-L609 HydrophobicContact CB-CB 4.28Å; V585-L609 PolarHBondContact N-O 3.39Å; V585-L609 PolarHBondContact O-N 3Å; V585-I611 HydrophobicContact CG2-CD1 3.61Å; V585-I611 HydrophobicContact CG2-CG1 4.47Å
586	M	94.7	Very high	87.5	Confident	39 Å²	39	47.2 Å²	47.2	19%	0.192	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	133.2	173.3	-82.8	-170.8	51.1	0	0	110.6	P534 D535 Q537 T606 K608	P534-M586 WeakPolarHBondContact CA-O 3.46Å; D535-M586 HydrophobicContact CB-CB 4.29Å; D535-M586 PolarHBondContact N-O 3.02Å; D535-M586 PolarHBondContact O-N 3.37Å; Q537-M586 PolarHBondContact OE1-SD 3.14Å; M586-T606 HydrophobicContact CE-CG2 3.62Å; M586-K608 HydrophobicContact CG-CG 3.88Å; M586-K608 HydrophobicContact SD-CG 4.48Å
587	I	94.9	Very high	85.2	Confident	5 Å²	5	46.2 Å²	46.2	3%	0.026	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	133.5	178.3	-62.4	174.4	0	0	0	109.2	I530 P534 L564 V585 V589 T606 V607	I530-I587 HydrophobicContact CG2-CG2 4.27Å; P534-I587 HydrophobicContact CB-CD1 4.21Å; P534-I587 HydrophobicContact CB-CG1 3.77Å; P534-I587 HydrophobicContact CG-CD1 4.18Å; P534-I587 HydrophobicContact CG-CG1 4Å; L564-I587 HydrophobicContact CD1-CD1 3.62Å; L564-I587 HydrophobicContact CD2-CD1 3.18Å; L564-I587 HydrophobicContact CG-CD1 3.93Å; V585-I587 HydrophobicContact CG1-CD1 4.26Å; V585-I587 HydrophobicContact CG1-CG1 4.11Å; I587-V589 HydrophobicContact CG2-CG2 4.26Å; I587-T606 CarbonylContact O-C 3.53Å; I587-T606 VanDerWaalsContact O-CA 3.29Å; I587-T606 WeakPolarHBondContact O-CA 3.47Å; I587-V607 PolarHBondContact N-O 3.04Å; I587-V607 PolarHBondContact O-N 2.98Å
588	T	95	Very high	82.7	Confident	37 Å²	37	52.4 Å²	52.4	23%	0.227	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	118.3	174.3	-58.5	0	0	0	0	109.7	V531 T606	V531-T588 HydrophobicContact CB-CG2 4.5Å; V531-T588 HydrophobicContact CG2-CG2 4.19Å; V531-T588 PolarHBondContact N-O 3.09Å; V531-T588 VanDerWaalsContact N-O 3.09Å; T588-T606 PolarHBondContact OG1-OG1 2.98Å
589	V	94.9	Very high	80.3	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.006	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	131.4	174	179.7	0	0	0	0	108.2	A484 I520 M524 R529 L557 I587 T604 S605	A484-V589 HydrophobicContact CB-CB 3.91Å; A484-V589 HydrophobicContact CB-CG1 4.42Å; A484-V589 HydrophobicContact CB-CG2 3.89Å; I520-V589 HydrophobicContact CG2-CG2 4.07Å; M524-V589 HydrophobicContact CE-CB 4.19Å; M524-V589 HydrophobicContact CE-CG1 3.88Å; R529-V589 WeakPolarHBondContact O-CA 3.35Å; L557-V589 HydrophobicContact CD1-CG1 3.51Å; L557-V589 HydrophobicContact CD1-CG2 4.16Å; I587-V589 HydrophobicContact CG2-CG2 4.26Å; V589-T604 CarbonylContact O-C 3.59Å; V589-T604 WeakPolarHBondContact O-CA 3.23Å; V589-S605 PolarHBondContact N-O 2.98Å; V589-S605 PolarHBondContact O-N 2.69Å
590	A	94.1	Very high	78.5	Confident	2 Å²	2	56.2 Å²	56.2	2%	0.017	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	143	168.6	0	0	0	0	0	110	G528 R529 V531 Q603 T604	G528-A590 CarbonylContact C-O 3.54Å; G528-A590 VanDerWaalsContact CA-O 3.29Å; G528-A590 WeakPolarHBondContact CA-O 3.23Å; R529-A590 HydrophobicContact CG-CB 4.17Å; R529-A590 PolarHBondContact N-O 3.04Å; R529-A590 PolarHBondContact O-N 3.38Å; V531-A590 HydrophobicContact CG2-CB 3.37Å; A590-Q603 CarbonylContact C-O 3.59Å; A590-Q603 VanDerWaalsContact CA-O 3.31Å; A590-Q603 WeakPolarHBondContact CA-O 3.32Å; A590-T604 HydrophobicContact CB-CG2 4Å
591	S	92.2	Very high	77.1	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	142.3	176.6	-171.5	0	0	0	0	109.7	N522 G525 T527 Q603	N522-S591 PolarHBondContact ND2-OG 3.32Å; G525-S591 WeakPolarHBondContact CA-OG 3.35Å; G525-S591 PolarHBondContact N-OG 3.16Å; T527-S591 WeakPolarHBondContact O-CB 3.49Å; T527-S591 PolarHBondContact O-OG 3.22Å; S591-Q603 PolarHBondContact N-O 3.39Å; S591-Q603 PolarHBondContact O-N 3.03Å
592	P	86.4	Confident	76.6	Confident	70 Å²	70	60.1 Å²	60.1	46%	0.455	35%	0.347	S	S	.	.			trans	-58.9	140.2	172	-21	33.3	0	0	0	110.7	T527 E594	T527-P592 VanDerWaalsContact O-CD 3.31Å; T527-P592 WeakPolarHBondContact O-CD 3.46Å; P592-E594 PolarHBondContact O-N 3.24Å
593	A	69.8	Low	76.2	Confident	37 Å²	37	61.7 Å²	61.7	31%	0.306	35%	0.354	S	S	.	.			trans	-68.6	125.1	174.8	0	0	0	0	0	110.4	T595 Q603	A593-T595 VanDerWaalsContact C-N 3.25Å; A593-T595 PolarHBondContact O-N 3.32Å; A593-Q603 HydrophobicContact CB-CG 4.45Å
594	E	63.1	Low	76.1	Confident	86 Å²	86	66.3 Å²	66.3	40%	0.402	38%	0.382	S	S	.	.	S	Bend	trans	-70.3	-18.9	178.3	-72.5	-170	162	0	0	113.7	G525 W560 P592	G525-E594 WeakPolarHBondContact CA-OE1 3.38Å; W560-E594 WeakPolarHBondContact CH2-OE1 3.18Å; P592-E594 PolarHBondContact O-N 3.24Å
595	T	56.1	Low	76.1	Confident	77 Å²	77	67 Å²	67	47%	0.472	39%	0.387	S	S	.	.	S	Bend	trans	-105.2	128.2	-179.6	11.4	0	0	0	0	111	A593 S597	A593-T595 VanDerWaalsContact C-N 3.25Å; A593-T595 PolarHBondContact O-N 3.32Å; T595-S597 PolarHBondContact O-N 2.81Å
596	E	47.6	Very low	76	Confident	201 Å²	201	70.2 Å²	70.2	94%	0.939	41%	0.407	S	S	*	.			trans	-64.5	31.8	173.3	-64	-175.6	157.7	0	0	113.6	K598	E596-K598 PolarHBondContact O-N 2.79Å
597	S	45.3	Very low	75.9	Confident	87 Å²	87	69.2 Å²	69.2	61%	0.608	40%	0.403	S	S	*	.			trans	-73.9	99	173	57.9	0	0	0	0	109.3	T595 N599	T595-S597 PolarHBondContact O-N 2.81Å; S597-N599 PolarHBondContact O-N 2.99Å
598	K	43.7	Very low	75.8	Confident	197 Å²	197	73.3 Å²	73.3	86%	0.857	42%	0.421	S	S	*	.	S	Bend	trans	11.7	78.5	158.3	-63.8	-174.6	179	-178.2	0	114.6	E596	E596-K598 PolarHBondContact O-N 2.79Å
599	N	46.6	Very low	75.8	Confident	151 Å²	151	71.6 Å²	71.6	81%	0.807	41%	0.41	S	S	*	.	S	Bend	trans	161	9	147.5	-82.7	-5.9	0	0	0	113.8	S597 A601	S597-N599 PolarHBondContact O-N 2.99Å; N599-A601 PolarHBondContact O-N 2.92Å
600	G	55	Low	75.8	Confident	81 Å²	81	72 Å²	72	84%	0.835	41%	0.412	S	S	*	.			trans	52.1	22.2	170.5	0	0	0	0	0	114.9
601	A	67	Low	75.8	Confident	65 Å²	65	71.9 Å²	71.9	54%	0.537	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-83.6	127.5	-169.8	0	0	0	0	0	108.9	N599 Q603	N599-A601 PolarHBondContact O-N 2.92Å; A601-Q603 PolarHBondContact O-N 3.48Å
602	E	82.8	Confident	75.9	Confident	91 Å²	91	73.8 Å²	73.8	43%	0.425	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-60.8	132.7	175.4	-65.7	-179.3	176.9	0	0	110.1	R529	R529-E602 IonicContact CZ-OE1 2.76Å; R529-E602 IonicContact CZ-OE2 3.88Å; R529-E602 IonicContact NE-OE2 3.47Å; R529-E602 IonicContact NH1-OE1 3.73Å; R529-E602 IonicContact NH2-OE1 3.67Å; R529-E602 PolarHBondContact NH2-OE1 3.2Å; R529-E602 IonicContact NH2-OE2 3.67Å; R529-E602 PolarHBondContact NH2-OE2 3.02Å
603	Q	87.6	Confident	76.3	Confident	67 Å²	67	70.5 Å²	70.5	31%	0.313	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	129.4	170.5	-66.8	-172.6	0.5	0	0	108.4	M524 A590 S591 A593 A601	M524-Q603 HydrophobicContact CB-CB 4.37Å; M524-Q603 HydrophobicContact CG-CB 4.4Å; M524-Q603 HydrophobicContact SD-CB 3.85Å; A590-Q603 CarbonylContact C-O 3.59Å; A590-Q603 VanDerWaalsContact CA-O 3.31Å; A590-Q603 WeakPolarHBondContact CA-O 3.32Å; S591-Q603 PolarHBondContact N-O 3.39Å; S591-Q603 PolarHBondContact O-N 3.03Å; A593-Q603 HydrophobicContact CB-CG 4.45Å; A601-Q603 PolarHBondContact O-N 3.48Å
604	T	91.9	Very high	77.5	Confident	97 Å²	97	73.2 Å²	73.2	60%	0.595	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.5	137.7	178.8	53.6	0	0	0	0	110.2	V589 A590	V589-T604 CarbonylContact O-C 3.59Å; V589-T604 WeakPolarHBondContact O-CA 3.23Å; A590-T604 HydrophobicContact CB-CG2 4Å
605	S	93.6	Very high	79.1	Confident	16 Å²	16	69.1 Å²	69.1	11%	0.112	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	119.2	177.1	179	0	0	0	0	109.2	A484 M524 V589	A484-S605 PolarHBondContact N-OG 3Å; M524-S605 VanDerWaalsContact SD-CB 3.58Å; V589-S605 PolarHBondContact N-O 2.98Å; V589-S605 PolarHBondContact O-N 2.69Å
606	T	94	Very high	81.1	Confident	67 Å²	67	66.5 Å²	66.5	41%	0.411	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	125.4	174.9	-55.2	0	0	0	0	110	M586 I587 T588	M586-T606 HydrophobicContact CE-CG2 3.62Å; I587-T606 CarbonylContact O-C 3.53Å; I587-T606 VanDerWaalsContact O-CA 3.29Å; I587-T606 WeakPolarHBondContact O-CA 3.47Å; T588-T606 PolarHBondContact OG1-OG1 2.98Å
607	V	92.9	Very high	83.4	Confident	19 Å²	19	59.4 Å²	59.4	12%	0.115	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	144	-178.8	-167.5	0	0	0	0	109.6	A484 L486 I587	A484-V607 HydrophobicContact CB-CG2 3.75Å; A484-V607 WeakPolarHBondContact O-CG2 3.33Å; L486-V607 HydrophobicContact CD1-CB 4.33Å; L486-V607 HydrophobicContact CD1-CG1 3.76Å; L486-V607 HydrophobicContact CG-CB 4.41Å; L486-V607 HydrophobicContact CG-CG1 3.79Å; I587-V607 PolarHBondContact N-O 3.04Å; I587-V607 PolarHBondContact O-N 2.98Å
608	K	93.1	Very high	85.8	Confident	91 Å²	91	57.7 Å²	57.7	40%	0.396	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	130	178.1	-70.2	-177	178.3	-159.6	0	109	V585 M586 P610 Q952	V585-K608 CarbonylContact O-C 3.55Å; V585-K608 WeakPolarHBondContact O-CA 3.43Å; M586-K608 HydrophobicContact CG-CG 3.88Å; M586-K608 HydrophobicContact SD-CG 4.48Å; K608-P610 WeakPolarHBondContact O-CD 3.44Å; K608-Q952 PolarHBondContact O-NE2 2.86Å; K608-Q952 PolarHBondContact O-OE1 3.29Å
609	L	94.4	Very high	88.3	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	105.2	173.1	-172.5	73.7	0	0	0	110.2	L486 I491 V518 L564 I566 H584 V585	L486-L609 HydrophobicContact CB-CD1 4.26Å; L486-L609 HydrophobicContact CD1-CB 3.64Å; L486-L609 HydrophobicContact CD1-CD1 3.81Å; L486-L609 HydrophobicContact CD1-CG 4.19Å; I491-L609 HydrophobicContact CD1-CD2 3.83Å; I491-L609 HydrophobicContact CG1-CD2 4.27Å; V518-L609 HydrophobicContact CG2-CD2 4.06Å; L564-L609 HydrophobicContact CD2-CD2 4.44Å; I566-L609 HydrophobicContact CD1-CD2 3.11Å; H584-L609 CarbonylContact C-O 3.51Å; H584-L609 WeakPolarHBondContact CA-O 3.27Å; H584-L609 WeakPolarHBondContact CB-O 3.1Å; V585-L609 HydrophobicContact CB-CB 4.28Å; V585-L609 PolarHBondContact N-O 3.39Å; V585-L609 PolarHBondContact O-N 3Å
610	P	94.5	Very high	90.6	Very high	9 Å²	9	45.9 Å²	45.9	6%	0.058	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	138.9	176.1	-16.7	31.1	0	0	0	111.5	I491 K608 L948	I491-P610 PolarHBondContact N-O 3.4Å; K608-P610 WeakPolarHBondContact O-CD 3.44Å; P610-L948 HydrophobicContact CB-CD1 4.45Å; P610-L948 HydrophobicContact CB-CD2 3.51Å; P610-L948 HydrophobicContact CB-CG 4.49Å; P610-L948 HydrophobicContact CG-CD2 4.07Å
611	I	94.6	Very high	92.4	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	126.1	176.9	-60.3	-176.9	0	0	0	108.4	I491 W536 I566 I568 Q582 G583 V585 V613	I491-I611 HydrophobicContact CB-CG1 4.36Å; I491-I611 HydrophobicContact CD1-CG1 4.4Å; I491-I611 CarbonylContact O-C 3.58Å; I491-I611 WeakPolarHBondContact O-CA 3.45Å; W536-I611 HydrophobicContact CH2-CB 4.43Å; W536-I611 HydrophobicContact CZ3-CB 4.28Å; W536-I611 HydrophobicContact CZ3-CD1 4Å; W536-I611 HydrophobicContact CZ3-CG1 4.45Å; I566-I611 HydrophobicContact CD1-CD1 4.41Å; I566-I611 HydrophobicContact CG2-CD1 3.98Å; I568-I611 HydrophobicContact CD1-CD1 4.44Å; I568-I611 HydrophobicContact CD1-CG2 3.95Å; Q582-I611 WeakPolarHBondContact CA-O 3.46Å; G583-I611 PolarHBondContact N-O 2.72Å; G583-I611 PolarHBondContact O-N 3.41Å; G583-I611 VanDerWaalsContact O-O 3.13Å; V585-I611 HydrophobicContact CG2-CD1 3.61Å; V585-I611 HydrophobicContact CG2-CG1 4.47Å; I611-V613 HydrophobicContact CG2-CG2 3.7Å
612	K	94.4	Very high	93.6	Very high	40 Å²	40	44.9 Å²	44.9	17%	0.174	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	127.1	175.8	173.2	170	160.2	-129.6	0	109.9	I491 D492 L493 T494 I580 Q582 L948	I491-K612 PolarHBondContact O-N 3.11Å; D492-K612 WeakPolarHBondContact CA-O 3.49Å; D492-K612 HydrophobicContact CB-CB 4.43Å; D492-K612 IonicContact OD1-NZ 2.62Å; D492-K612 WeakPolarHBondContact OD2-CD 3.49Å; D492-K612 IonicContact OD2-NZ 2.63Å; D492-K612 PolarHBondContact OD2-NZ 3.11Å; L493-K612 PolarHBondContact N-O 3.27Å; T494-K612 HydrophobicContact CG2-CG 4.22Å; T494-K612 VanDerWaalsContact OG1-CE 3.31Å; T494-K612 WeakPolarHBondContact OG1-CE 3.4Å; T494-K612 PolarHBondContact OG1-NZ 3.01Å; I580-K612 HydrophobicContact CG2-CD 4.3Å; I580-K612 HydrophobicContact CG2-CG 3.84Å; Q582-K612 HydrophobicContact CG-CB 4.09Å; Q582-K612 HydrophobicContact CG-CD 4.28Å; Q582-K612 HydrophobicContact CG-CG 3.93Å; K612-L948 HydrophobicContact CB-CD1 3.66Å; K612-L948 HydrophobicContact CD-CD1 3.92Å; K612-L948 HydrophobicContact CG-CD1 4.46Å
613	V	95.1	Very high	94.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	142.2	-169.4	-176	0	0	0	0	111.1	L493 I507 I547 I568 I580 A581 I611	L493-V613 HydrophobicContact CD1-CB 4.47Å; L493-V613 HydrophobicContact CD1-CG1 3.89Å; L493-V613 HydrophobicContact CD1-CG2 4.02Å; L493-V613 HydrophobicContact CG-CG1 4.46Å; L493-V613 HydrophobicContact CG-CG2 4.12Å; I507-V613 HydrophobicContact CB-CG1 4.48Å; I507-V613 HydrophobicContact CD1-CB 4.42Å; I507-V613 HydrophobicContact CD1-CG1 3.33Å; I507-V613 HydrophobicContact CG1-CG1 3.38Å; I507-V613 HydrophobicContact CG2-CG1 4.39Å; I547-V613 HydrophobicContact CD1-CB 3.91Å; I547-V613 HydrophobicContact CD1-CG2 4Å; I568-V613 HydrophobicContact CG2-CG2 4.21Å; I580-V613 WeakPolarHBondContact CA-O 3.45Å; A581-V613 PolarHBondContact N-O 2.96Å; A581-V613 PolarHBondContact O-N 3.09Å; I611-V613 HydrophobicContact CG2-CG2 3.7Å
614	K	95.3	Very high	94.6	Very high	94 Å²	94	40.2 Å²	40.2	41%	0.409	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	122.7	168.9	-173.3	175.6	-178.7	-178.4	0	109.7	T494 P506 I507	T494-K614 HydrophobicContact CG2-CB 4.16Å; P506-K614 WeakPolarHBondContact CA-O 3.24Å; P506-K614 HydrophobicContact CB-CB 4.19Å; P506-K614 HydrophobicContact CB-CD 4.27Å; P506-K614 HydrophobicContact CB-CG 4.05Å; P506-K614 WeakPolarHBondContact CB-O 3.5Å; I507-K614 PolarHBondContact N-O 2.77Å
615	I	96.5	Very high	94.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	139.2	175.7	-55.7	-179.9	0	0	0	108.7	I507 N546 I547 V570 W577 E578 G579 A581	I507-I615 HydrophobicContact CG1-CG1 4.19Å; I507-I615 WeakPolarHBondContact O-CA 3.45Å; N546-I615 HydrophobicContact CB-CD1 3.92Å; I547-I615 HydrophobicContact CG1-CD1 3.93Å; V570-I615 HydrophobicContact CG1-CD1 4.25Å; V570-I615 HydrophobicContact CG1-CG2 3.88Å; V570-I615 HydrophobicContact CG2-CD1 4.19Å; V570-I615 HydrophobicContact CG2-CG1 4.15Å; V570-I615 HydrophobicContact CG2-CG2 4.01Å; W577-I615 HydrophobicContact CE3-CB 3.8Å; W577-I615 HydrophobicContact CE3-CD1 4.14Å; W577-I615 HydrophobicContact CE3-CG1 4.46Å; W577-I615 HydrophobicContact CE3-CG2 3.94Å; W577-I615 HydrophobicContact CZ3-CB 3.73Å; W577-I615 HydrophobicContact CZ3-CD1 3.83Å; W577-I615 HydrophobicContact CZ3-CG1 4.08Å; W577-I615 HydrophobicContact CZ3-CG2 4.37Å; E578-I615 WeakPolarHBondContact CA-O 3.4Å; G579-I615 PolarHBondContact N-O 3.04Å; G579-I615 PolarHBondContact O-N 2.91Å; A581-I615 HydrophobicContact CB-CD1 3.77Å; A581-I615 HydrophobicContact CB-CG1 4.45Å
616	I	96.7	Very high	95	Very high	23 Å²	23	34.9 Å²	34.9	12%	0.118	18%	0.182	C	C	.	.			trans	-124.7	162.3	170.3	61.7	162.7	0	0	0	110.3	P506 I507 Y508 W577 E578 P619 F676	P506-I616 HydrophobicContact CB-CD1 4.5Å; P506-I616 HydrophobicContact CB-CG1 4.15Å; P506-I616 HydrophobicContact CB-CG2 3.8Å; P506-I616 HydrophobicContact CG-CB 4.43Å; P506-I616 HydrophobicContact CG-CD1 3.65Å; P506-I616 HydrophobicContact CG-CG1 3.84Å; P506-I616 HydrophobicContact CG-CG2 3.74Å; I507-I616 PolarHBondContact O-N 2.74Å; Y508-I616 WeakPolarHBondContact CB-O 3.29Å; Y508-I616 HydrophobicContact CD1-CD1 4.36Å; Y508-I616 HydrophobicContact CD1-CG1 4.32Å; W577-I616 CarbonylContact O-C 3.29Å; W577-I616 VanDerWaalsContact O-C 3.29Å; E578-I616 HydrophobicContact CG-CG2 4.43Å; I616-P619 HydrophobicContact CD1-CG 3.98Å; I616-F676 HydrophobicContact CD1-CE1 3.51Å; I616-F676 HydrophobicContact CD1-CE2 4.45Å; I616-F676 HydrophobicContact CD1-CZ 3.39Å
617	P	96.7	Very high	95	Very high	52 Å²	52	31.7 Å²	31.7	34%	0.338	16%	0.162	S	C	.	.	P	Polyproline II helix	trans	-58.5	148.1	169.6	-23.9	35.5	0	0	0	111.2	A575 E578 P619	A575-P617 WeakPolarHBondContact O-CA 3.36Å; E578-P617 HydrophobicContact CB-CG 4.42Å; P617-P619 VanDerWaalsContact O-CD 3.25Å; P617-P619 WeakPolarHBondContact O-CD 3.44Å; P617-P619 VanDerWaalsContact O-N 3.11Å
618	T	95.9	Very high	95.1	Very high	50 Å²	50	30.9 Å²	30.9	31%	0.307	16%	0.157	S	C	.	.	P	Polyproline II helix	trans	-52.5	118.2	179.1	-58.7	0	0	0	0	110.9	Y508 Y509 A575	Y508-T618 HydrophobicContact CD2-CG2 4.35Å; Y509-T618 WeakPolarHBondContact O-CG2 3.4Å; Y509-T618 PolarHBondContact O-OG1 3.28Å; A575-T618 PolarHBondContact O-N 3.25Å
619	P	95.3	Very high	95	Very high	12 Å²	12	26.7 Å²	26.7	8%	0.078	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-63	155.9	179.3	-24.1	34.5	0	0	0	112.2	Y508 I616 P617 R621 R624 F676	Y508-P619 VanDerWaalsContact CD1-CD 3.49Å; Y508-P619 HydrophobicContact CD1-CG 3.73Å; Y508-P619 VanDerWaalsContact CD2-CD 3.48Å; Y508-P619 HydrophobicContact CD2-CG 4.46Å; Y508-P619 HydrophobicContact CE1-CG 3.69Å; Y508-P619 HydrophobicContact CE2-CG 4.46Å; Y508-P619 HydrophobicContact CG-CG 4.1Å; I616-P619 HydrophobicContact CD1-CG 3.98Å; P617-P619 VanDerWaalsContact O-CD 3.25Å; P617-P619 WeakPolarHBondContact O-CD 3.44Å; P617-P619 VanDerWaalsContact O-N 3.11Å; P619-R621 PolarHBondContact O-N 3.44Å; P619-R624 HydrophobicContact CB-CG 4.3Å; P619-F676 HydrophobicContact CB-CD2 3.72Å; P619-F676 HydrophobicContact CB-CE2 3.7Å; P619-F676 HydrophobicContact CB-CG 4.47Å; P619-F676 HydrophobicContact CB-CZ 4.44Å; P619-F676 HydrophobicContact CG-CD1 4.25Å; P619-F676 HydrophobicContact CG-CD2 3.61Å; P619-F676 HydrophobicContact CG-CE1 4.14Å; P619-F676 HydrophobicContact CG-CE2 3.5Å; P619-F676 HydrophobicContact CG-CG 3.99Å; P619-F676 HydrophobicContact CG-CZ 3.77Å
620	P	94.6	Very high	94.9	Very high	89 Å²	89	27.9 Å²	27.9	58%	0.578	14%	0.144	S	C	*	.	P	Polyproline II helix	trans	-55	140.2	171.3	-23.6	33.4	0	0	0	111.4	S622 K623	P620-S622 PolarHBondContact O-N 3.06Å; P620-S622 VanDerWaalsContact O-N 3.11Å; P620-K623 PolarHBondContact O-N 2.82Å
621	R	93.6	Very high	94.7	Very high	94 Å²	94	27.5 Å²	27.5	36%	0.355	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-49.1	-39.4	178.1	-176.5	-178.7	176.9	-118	-11.6	113.1	P619 K623 R624 S690 Y692 G693 G719	P619-R621 PolarHBondContact O-N 3.44Å; R621-K623 PolarHBondContact O-N 2.54Å; R621-K623 VanDerWaalsContact O-N 3.13Å; R621-R624 PolarHBondContact O-N 3.14Å; R621-R624 VanDerWaalsContact O-N 3.08Å; R621-S690 VanDerWaalsContact CD-O 3.28Å; R621-S690 WeakPolarHBondContact CD-O 3.29Å; R621-S690 PolarHBondContact NE-O 3.4Å; R621-Y692 PolarHBondContact NE-O 2.83Å; R621-Y692 PolarHBondContact NH2-O 3.29Å; R621-G693 WeakPolarHBondContact O-CA 3.47Å; R621-G693 PolarHBondContact O-N 3.35Å; R621-G693 VanDerWaalsContact O-N 3.12Å; R621-G719 PolarHBondContact NH1-O 2.93Å; R621-G719 PolarHBondContact NH2-O 2.84Å
622	S	93.1	Very high	94.4	Very high	31 Å²	31	27.5 Å²	27.5	22%	0.217	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-65	-11.4	178.6	59.4	0	0	0	0	115.2	P620 S873	P620-S622 PolarHBondContact O-N 3.06Å; P620-S622 VanDerWaalsContact O-N 3.11Å; S622-S873 PolarHBondContact O-OG 2.98Å; S622-S873 VanDerWaalsContact O-OG 3.11Å
623	K	94.8	Very high	93.8	Very high	54 Å²	54	26 Å²	26	24%	0.235	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-105.2	-1.9	175.9	-71.7	-64.2	-165.6	172.7	0	112.9	P620 R621 M673 Y675 F676	P620-K623 PolarHBondContact O-N 2.82Å; R621-K623 PolarHBondContact O-N 2.54Å; R621-K623 VanDerWaalsContact O-N 3.13Å; K623-M673 PolarHBondContact NZ-O 3.45Å; K623-Y675 HydrophobicContact CD-CD1 3.89Å; K623-Y675 HydrophobicContact CD-CE1 3.91Å; K623-Y675 CarbonylContact O-C 3.5Å; K623-Y675 WeakPolarHBondContact O-CA 3.45Å; K623-F676 PolarHBondContact O-N 2.88Å
624	R	96.1	Very high	92.6	Very high	5 Å²	5	30 Å²	30	2%	0.019	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	112.9	-176.9	-61.5	178	61.3	-171.3	-3.8	109.6	Y508 G510 P619 R621 E678 Q691 Y692 G693	Y508-R624 PolarHBondContact OH-NE 3.09Å; G510-R624 PolarHBondContact O-NH2 3.34Å; P619-R624 HydrophobicContact CB-CG 4.3Å; R621-R624 PolarHBondContact O-N 3.14Å; R621-R624 VanDerWaalsContact O-N 3.08Å; R624-E678 IonicContact CZ-OE1 3.41Å; R624-E678 IonicContact NE-OE1 3.43Å; R624-E678 IonicContact NH2-OE1 3.19Å; R624-E678 PolarHBondContact NH2-OE1 3.42Å; R624-Q691 WeakPolarHBondContact CD-O 3.35Å; R624-Q691 PolarHBondContact NE-O 3.45Å; R624-Q691 PolarHBondContact NH1-O 2.73Å; R624-Y692 HydrophobicContact CB-CD1 4.21Å; R624-G693 PolarHBondContact O-N 3.18Å; R624-G693 VanDerWaalsContact O-N 3.13Å
625	V	96.6	Very high	91	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.006	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	129.4	-179.7	-177.8	0	0	0	0	108.3	Y675 F676 V677 E678 T694 L696 L869	V625-Y675 HydrophobicContact CG2-CD1 3.89Å; V625-Y675 HydrophobicContact CG2-CG 4.33Å; V625-F676 PolarHBondContact N-O 3.28Å; V625-V677 HydrophobicContact CB-CG1 4.49Å; V625-V677 HydrophobicContact CG1-CG1 4.49Å; V625-V677 WeakPolarHBondContact O-CA 3.33Å; V625-E678 PolarHBondContact O-N 3.41Å; V625-T694 WeakPolarHBondContact CA-O 3.27Å; V625-L696 HydrophobicContact CG1-CB 3.97Å; V625-L696 HydrophobicContact CG1-CD2 4.41Å; V625-L869 HydrophobicContact CG2-CD2 4.09Å
626	L	96.3	Very high	89	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	125.3	174.9	-167.9	59.4	0	0	0	108.7	M512 E678 L680 F687 Y692 T694 L695 L696	M512-L626 HydrophobicContact CG-CD1 4.11Å; L626-E678 HydrophobicContact CD1-CB 3.94Å; L626-L680 HydrophobicContact CD1-CB 3.93Å; L626-L680 HydrophobicContact CD2-CB 4.25Å; L626-L680 HydrophobicContact CD2-CD2 4.07Å; L626-L680 HydrophobicContact CG-CB 3.97Å; L626-F687 HydrophobicContact CD2-CB 4.47Å; L626-F687 HydrophobicContact CD2-CD1 4.14Å; L626-F687 HydrophobicContact CD2-CD2 3.58Å; L626-F687 HydrophobicContact CD2-CE1 4.26Å; L626-F687 HydrophobicContact CD2-CE2 3.72Å; L626-F687 HydrophobicContact CD2-CG 3.81Å; L626-F687 HydrophobicContact CD2-CZ 4.07Å; L626-Y692 HydrophobicContact CB-CD1 3.84Å; L626-Y692 HydrophobicContact CB-CE1 4.24Å; L626-Y692 HydrophobicContact CB-CG 4.16Å; L626-Y692 HydrophobicContact CD1-CD1 4.41Å; L626-Y692 HydrophobicContact CD1-CE1 3.95Å; L626-Y692 HydrophobicContact CD2-CD2 4.21Å; L626-Y692 HydrophobicContact CD2-CE2 4.3Å; L626-Y692 HydrophobicContact CD2-CG 4.35Å; L626-T694 PolarHBondContact N-O 2.85Å; L626-L695 HydrophobicContact CB-CD1 4.06Å; L626-L695 HydrophobicContact CD2-CD1 4.13Å; L626-L695 HydrophobicContact CG-CD1 4.05Å; L626-L695 CarbonylContact O-C 3.53Å; L626-L695 WeakPolarHBondContact O-CA 3.49Å; L626-L696 PolarHBondContact O-N 2.68Å
627	W	95.3	Very high	87.1	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	127.5	172.8	171.4	-86.8	0	0	0	109.2	Q629 I659 F663 M666 V677 E678 L680 L696 V698	W627-Q629 VanDerWaalsContact NE1-OE1 3.11Å; W627-Q629 PolarHBondContact O-N 2.91Å; W627-I659 HydrophobicContact CB-CD1 4.1Å; W627-I659 HydrophobicContact CD2-CB 4.28Å; W627-I659 HydrophobicContact CD2-CD1 4.22Å; W627-I659 HydrophobicContact CE3-CD1 4.25Å; W627-I659 HydrophobicContact CG-CB 4.36Å; W627-I659 HydrophobicContact CG-CD1 4.17Å; W627-F663 HydrophobicContact CH2-CB 4.33Å; W627-F663 HydrophobicContact CH2-CD1 4.22Å; W627-F663 AromaticContact CH2-CD2 3.74Å; W627-F663 HydrophobicContact CH2-CD2 3.74Å; W627-F663 HydrophobicContact CH2-CE2 4.06Å; W627-F663 AromaticContact CH2-CG 3.82Å; W627-F663 HydrophobicContact CH2-CG 3.82Å; W627-F663 HydrophobicContact CH2-CZ 4.44Å; W627-F663 AromaticContact CZ2-CD2 3.99Å; W627-F663 HydrophobicContact CZ2-CD2 3.99Å; W627-F663 HydrophobicContact CZ2-CE2 4.33Å; W627-F663 HydrophobicContact CZ2-CG 4.45Å; W627-M666 HydrophobicContact CE3-CE 3.91Å; W627-M666 HydrophobicContact CH2-CE 4.26Å; W627-M666 HydrophobicContact CZ3-CE 3.49Å; W627-M666 VanDerWaalsContact CZ3-CE 3.49Å; W627-M666 HydrophobicContact CZ3-SD 4.15Å; W627-V677 HydrophobicContact CB-CG1 4.33Å; W627-E678 WeakPolarHBondContact CB-O 3.47Å; W627-E678 PolarHBondContact N-O 3.34Å; W627-L680 WeakPolarHBondContact O-CB 3.43Å; W627-L680 PolarHBondContact O-N 3.46Å; W627-L696 HydrophobicContact CE3-CD2 3.9Å; W627-L696 HydrophobicContact CE3-CG 4.13Å; W627-L696 HydrophobicContact CZ3-CD2 4.16Å; W627-L696 HydrophobicContact CZ3-CG 4.39Å; W627-V698 HydrophobicContact CE3-CG2 4.23Å; W627-V698 HydrophobicContact CH2-CB 3.46Å; W627-V698 VanDerWaalsContact CH2-CB 3.46Å; W627-V698 HydrophobicContact CH2-CG1 4.02Å; W627-V698 HydrophobicContact CH2-CG2 3.77Å; W627-V698 HydrophobicContact CZ2-CB 4.35Å; W627-V698 HydrophobicContact CZ3-CB 3.63Å; W627-V698 HydrophobicContact CZ3-CG1 4.4Å; W627-V698 HydrophobicContact CZ3-CG2 3.35Å
628	D	94.3	Very high	85.7	Confident	3 Å²	3	25.7 Å²	25.7	2%	0.016	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	107.5	173.5	-178	16.3	0	0	0	110.9	Y630 H631 N632 F684 L695 L696 M697	D628-Y630 PolarHBondContact OD1-N 3.45Å; D628-Y630 VanDerWaalsContact OD1-N 3.16Å; D628-H631 IonicContact OD1-CE1 2.65Å; D628-H631 IonicContact OD1-CG 3.41Å; D628-H631 PolarHBondContact OD1-N 2.73Å; D628-H631 IonicContact OD1-ND1 3.4Å; D628-H631 PolarHBondContact OD1-ND1 2.86Å; D628-H631 IonicContact OD2-CE1 2.82Å; D628-H631 IonicContact OD2-CG 2.74Å; D628-H631 IonicContact OD2-ND1 2.76Å; D628-H631 PolarHBondContact OD2-ND1 3.31Å; D628-N632 PolarHBondContact O-OD1 2.95Å; D628-F684 HydrophobicContact CB-CE1 4.22Å; D628-F684 WeakPolarHBondContact OD2-CE1 3.18Å; D628-F684 VanDerWaalsContact OD2-CZ 3.23Å; D628-F684 WeakPolarHBondContact OD2-CZ 3.46Å; D628-L695 HydrophobicContact CB-CD1 4.33Å; D628-L696 PolarHBondContact N-O 3.31Å; D628-M697 HydrophobicContact CB-CG 4.21Å
629	Q	91.8	Very high	84.8	Confident	3 Å²	3	23.7 Å²	23.7	1%	0.014	12%	0.118	C	C	.	.			trans	-99.7	-19.2	172.9	-171.6	62	60	0	0	112	W627 H631 N632 D657 H658 V679 L680	W627-Q629 VanDerWaalsContact NE1-OE1 3.11Å; W627-Q629 PolarHBondContact O-N 2.91Å; Q629-H631 PolarHBondContact O-N 3.24Å; Q629-N632 PolarHBondContact O-N 3.44Å; Q629-D657 PolarHBondContact NE2-O 3.08Å; Q629-D657 PolarHBondContact OE1-O 3.5Å; Q629-H658 PolarHBondContact OE1-CD2 2.74Å; Q629-V679 HydrophobicContact CB-CG1 3.57Å; Q629-V679 HydrophobicContact CG-CG1 4.06Å; Q629-L680 WeakPolarHBondContact CB-O 3.49Å; Q629-L680 PolarHBondContact N-O 3.45Å
630	Y	91	Very high	84.2	Confident	25 Å²	25	23.2 Å²	23.2	10%	0.098	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-21.3	-174	-174.3	-99.6	0	0	0	111.9	D628 L680 G681 A682 P683 K912	D628-Y630 PolarHBondContact OD1-N 3.45Å; D628-Y630 VanDerWaalsContact OD1-N 3.16Å; Y630-L680 PolarHBondContact N-O 3.27Å; Y630-L680 VanDerWaalsContact N-O 3.07Å; Y630-G681 WeakPolarHBondContact CD2-O 3.48Å; Y630-A682 WeakPolarHBondContact CB-O 3.29Å; Y630-A682 VanDerWaalsContact CG-C 3.46Å; Y630-P683 HydrophobicContact CD1-CG 4.33Å; Y630-P683 HydrophobicContact CE1-CB 4.26Å; Y630-P683 HydrophobicContact CE1-CG 3.74Å; Y630-P683 HydrophobicContact CE2-CG 4.27Å; Y630-K912 HydrophobicContact CE2-CD 4.08Å; Y630-K912 VanDerWaalsContact O-CE 3.23Å; Y630-K912 WeakPolarHBondContact O-CE 2.8Å; Y630-K912 PolarHBondContact O-NZ 2.55Å
631	H	91.6	Very high	83.4	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	2.6	179.2	-58.1	95.3	0	0	0	115	D628 Q629 F684 S700 E701 E702 E703 Y704 E708	D628-H631 IonicContact OD1-CE1 2.65Å; D628-H631 IonicContact OD1-CG 3.41Å; D628-H631 PolarHBondContact OD1-N 2.73Å; D628-H631 IonicContact OD1-ND1 3.4Å; D628-H631 PolarHBondContact OD1-ND1 2.86Å; D628-H631 IonicContact OD2-CE1 2.82Å; D628-H631 IonicContact OD2-CG 2.74Å; D628-H631 IonicContact OD2-ND1 2.76Å; D628-H631 PolarHBondContact OD2-ND1 3.31Å; Q629-H631 PolarHBondContact O-N 3.24Å; H631-F684 AromaticContact CE1-CD1 3.91Å; H631-F684 AromaticContact CE1-CE1 3.53Å; H631-F684 AromaticContact CE1-CE2 3.95Å; H631-F684 AromaticContact CE1-CZ 3.55Å; H631-F684 AromaticContact ND1-CE1 3.65Å; H631-F684 AromaticContact ND1-CZ 3.62Å; H631-S700 WeakPolarHBondContact CB-OG 3.41Å; H631-E701 PolarHBondContact O-N 2.74Å; H631-E702 HydrophobicContact CB-CB 3.97Å; H631-E702 WeakPolarHBondContact O-CB 3.18Å; H631-E702 PolarHBondContact O-N 2.84Å; H631-E703 PolarHBondContact CD2-O 2.77Å; H631-Y704 HydrophobicContact CB-CE1 4.37Å; H631-Y704 AromaticContact CD2-CD1 3.61Å; H631-Y704 AromaticContact CD2-CE1 3.46Å; H631-Y704 VanDerWaalsContact CD2-CE1 3.46Å; H631-Y704 WeakPolarHBondContact CD2-CE1 3.21Å; H631-Y704 AromaticContact CE1-CD1 3.85Å; H631-Y704 AromaticContact CE1-CE1 3.7Å; H631-Y704 AromaticContact CG-CE1 3.63Å; H631-Y704 AromaticContact ND1-CE1 3.78Å; H631-Y704 AromaticContact NE2-CD1 3.36Å; H631-Y704 WeakPolarHBondContact NE2-CD1 3.47Å; H631-Y704 AromaticContact NE2-CE1 3.53Å; H631-E708 IonicContact CE1-OE1 3.28Å; H631-E708 PolarHBondContact CE1-OE1 3.4Å; H631-E708 IonicContact NE2-OE1 2.78Å; H631-E708 PolarHBondContact NE2-OE1 3.39Å; H631-E708 IonicContact NE2-OE2 3.79Å
632	N	88.7	Confident	82.8	Confident	2 Å²	2	15.7 Å²	15.7	1%	0.011	8%	0.075	C	C	.	.	S	Bend	trans	-81.6	142.1	163.1	-53.7	95.3	0	0	0	109.4	D628 Q629 D657 V698 D699 K912	D628-N632 PolarHBondContact O-OD1 2.95Å; Q629-N632 PolarHBondContact O-N 3.44Å; N632-D657 HydrophobicContact CB-CB 4.1Å; N632-V698 PolarHBondContact ND2-O 3.11Å; N632-D699 PolarHBondContact ND2-O 3.18Å; N632-K912 PolarHBondContact O-NZ 2.96Å
633	L	80.7	Confident	82.4	Confident	8 Å²	8	14.4 Å²	14.4	4%	0.042	7%	0.065	C	C	.	.	P	Polyproline II helix	trans	-89.7	158.6	177.4	-66.7	174.3	0	0	0	110.6	F640 E701 E702 L907	L633-F640 HydrophobicContact CB-CE2 4.15Å; L633-F640 HydrophobicContact CB-CZ 4.12Å; L633-F640 HydrophobicContact CD1-CD1 4.33Å; L633-F640 HydrophobicContact CD1-CE1 3.47Å; L633-F640 VanDerWaalsContact CD1-CE1 3.47Å; L633-F640 HydrophobicContact CD1-CE2 4.34Å; L633-F640 HydrophobicContact CD1-CZ 3.48Å; L633-F640 VanDerWaalsContact CD1-CZ 3.48Å; L633-F640 HydrophobicContact CG-CZ 4.41Å; L633-E701 WeakPolarHBondContact CA-OE2 3.34Å; L633-E701 HydrophobicContact CB-CB 4.22Å; L633-E701 VanDerWaalsContact CB-OE2 3.32Å; L633-E701 WeakPolarHBondContact CB-OE2 3.46Å; L633-E701 HydrophobicContact CD1-CB 3.77Å; L633-E701 HydrophobicContact CG-CB 3.83Å; L633-E701 PolarHBondContact N-OE2 3.04Å; L633-E702 HydrophobicContact CD2-CB 4.19Å; L633-E702 HydrophobicContact CD2-CG 4.41Å; L633-E702 WeakPolarHBondContact CD2-OE2 3.41Å; L633-E702 HydrophobicContact CG-CB 4.46Å; L633-L907 HydrophobicContact CD1-CD1 3.66Å
634	R	69.7	Low	82	Confident	85 Å²	85	11.9 Å²	11.9	32%	0.321	5%	0.054	S	C	.	.	P	Polyproline II helix	trans	-77.6	150.6	175.3	-177.8	175.8	165	-170.7	-2.6	108.5	P383 P637	P383-R634 HydrophobicContact CG-CB 3.69Å; P383-R634 HydrophobicContact CG-CG 4.02Å; R634-P637 HydrophobicContact CB-CG 4.49Å; R634-P637 WeakPolarHBondContact O-CD 3.41Å; R634-P637 VanDerWaalsContact O-CG 3.3Å; R634-P637 WeakPolarHBondContact O-CG 3.49Å
635	Y	62	Low	81.4	Confident	21 Å²	21	12.3 Å²	12.3	8%	0.082	6%	0.057	C	C	.	.	S	Bend	trans	-113.9	144.7	165.1	-156.7	-86.5	0	0	0	112.5	F315 G638 F640 L652 D653 W654	F315-Y635 WeakPolarHBondContact CZ-O 3.49Å; Y635-G638 VanDerWaalsContact CE2-O 3.24Å; Y635-G638 WeakPolarHBondContact CE2-O 3.23Å; Y635-G638 PolarHBondContact OH-O 3.02Å; Y635-F640 HydrophobicContact CD2-CD2 4.03Å; Y635-F640 HydrophobicContact CE2-CD2 4.21Å; Y635-L652 HydrophobicContact CE2-CD2 4.21Å; Y635-D653 WeakPolarHBondContact CB-O 3.49Å; Y635-D653 WeakPolarHBondContact CD2-O 3.4Å; Y635-W654 AromaticContact CD1-CD2 3.64Å; Y635-W654 HydrophobicContact CD1-CD2 3.64Å; Y635-W654 AromaticContact CD1-CE3 3.29Å; Y635-W654 HydrophobicContact CD1-CE3 3.29Å; Y635-W654 HydrophobicContact CD1-CG 4.25Å; Y635-W654 HydrophobicContact CD1-CH2 4.1Å; Y635-W654 HydrophobicContact CD1-CZ2 4.43Å; Y635-W654 AromaticContact CD1-CZ3 3.55Å; Y635-W654 HydrophobicContact CD1-CZ3 3.55Å; Y635-W654 AromaticContact CD2-CE3 3.92Å; Y635-W654 HydrophobicContact CD2-CE3 3.92Å; Y635-W654 AromaticContact CD2-CZ3 3.75Å; Y635-W654 HydrophobicContact CD2-CZ3 3.75Å; Y635-W654 AromaticContact CE1-CD2 3.47Å; Y635-W654 HydrophobicContact CE1-CD2 3.47Å; Y635-W654 VanDerWaalsContact CE1-CD2 3.47Å; Y635-W654 AromaticContact CE1-CE2 3.61Å; Y635-W654 AromaticContact CE1-CE3 3.09Å; Y635-W654 HydrophobicContact CE1-CE3 3.09Å; Y635-W654 HydrophobicContact CE1-CG 4.44Å; Y635-W654 AromaticContact CE1-CH2 3.04Å; Y635-W654 HydrophobicContact CE1-CH2 3.04Å; Y635-W654 AromaticContact CE1-CZ2 3.46Å; Y635-W654 HydrophobicContact CE1-CZ2 3.46Å; Y635-W654 VanDerWaalsContact CE1-CZ2 3.46Å; Y635-W654 AromaticContact CE1-CZ3 2.86Å; Y635-W654 HydrophobicContact CE1-CZ3 2.86Å; Y635-W654 AromaticContact CE2-CE3 3.79Å; Y635-W654 HydrophobicContact CE2-CE3 3.79Å; Y635-W654 AromaticContact CE2-CH2 3.82Å; Y635-W654 HydrophobicContact CE2-CH2 3.82Å; Y635-W654 AromaticContact CE2-CZ3 3.14Å; Y635-W654 HydrophobicContact CE2-CZ3 3.14Å; Y635-W654 HydrophobicContact CG-CD2 4.48Å; Y635-W654 AromaticContact CG-CE3 3.77Å; Y635-W654 HydrophobicContact CG-CE3 3.77Å; Y635-W654 AromaticContact CG-CZ3 3.99Å; Y635-W654 HydrophobicContact CG-CZ3 3.99Å; Y635-W654 AromaticContact CZ-CE3 3.46Å; Y635-W654 VanDerWaalsContact CZ-CE3 3.46Å; Y635-W654 AromaticContact CZ-CH2 2.94Å; Y635-W654 AromaticContact CZ-CZ2 3.83Å; Y635-W654 AromaticContact CZ-CZ3 2.72Å; Y635-W654 WeakPolarHBondContact OH-CH2 3.46Å; Y635-W654 WeakPolarHBondContact OH-CZ3 3.28Å
636	P	53.7	Low	80.8	Confident	19 Å²	19	17.7 Å²	17.7	12%	0.123	8%	0.077	C	C	.	.	S	Bend	cis	-91.2	111.4	-17.9	6.4	13.6	0	0	0	110.8	F315 M316	F315-P636 HydrophobicContact CE1-CG 4.24Å; F315-P636 HydrophobicContact CZ-CG 4.23Å; M316-P636 WeakPolarHBondContact CE-O 3.47Å; M316-P636 WeakPolarHBondContact CG-O 3.03Å
637	P	58.5	Low	79.8	Confident	37 Å²	37	20.9 Å²	20.9	24%	0.24	9%	0.093	C	C	.	.	S	Bend	trans	-117.5	-24.7	152.5	36.6	-30	0	0	0	111.5	M316 R634 F640 Y910	M316-P637 HydrophobicContact CE-CB 4.1Å; R634-P637 HydrophobicContact CB-CG 4.49Å; R634-P637 WeakPolarHBondContact O-CD 3.41Å; R634-P637 VanDerWaalsContact O-CG 3.3Å; R634-P637 WeakPolarHBondContact O-CG 3.49Å; P637-F640 HydrophobicContact CG-CE2 4.38Å; P637-Y910 VanDerWaalsContact C-CE1 3.4Å; P637-Y910 HydrophobicContact CB-CD1 3.49Å; P637-Y910 VanDerWaalsContact CB-CD1 3.49Å; P637-Y910 HydrophobicContact CB-CE1 3.84Å; P637-Y910 HydrophobicContact CB-CG 4.15Å; P637-Y910 HydrophobicContact CG-CD1 3.98Å; P637-Y910 HydrophobicContact CG-CG 4.14Å; P637-Y910 WeakPolarHBondContact O-CE1 3.4Å; P637-Y910 PolarHBondContact O-OH 3.02Å
638	G	67	Low	78.6	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	-139.5	-179.8	179.7	0	0	0	0	0	114.2	Y635 F640 Y910	Y635-G638 VanDerWaalsContact CE2-O 3.24Å; Y635-G638 WeakPolarHBondContact CE2-O 3.23Å; Y635-G638 PolarHBondContact OH-O 3.02Å; G638-F640 PolarHBondContact O-N 2.55Å; G638-Y910 VanDerWaalsContact CA-CE2 3.42Å
639	Y	77.5	Confident	77	Confident	9 Å²	9	36.8 Å²	36.8	4%	0.035	17%	0.17	C	C	.	.			trans	-85.8	100.3	173.8	-172.4	-176.5	0	0	0	109.5	P641 L652 V737 F739 W748 M749 P750 D751	Y639-P641 HydrophobicContact CD2-CB 4.48Å; Y639-P641 HydrophobicContact CE2-CB 3.85Å; Y639-L652 HydrophobicContact CD2-CD2 3.16Å; Y639-L652 HydrophobicContact CD2-CG 4.14Å; Y639-L652 HydrophobicContact CE2-CD2 3.49Å; Y639-L652 VanDerWaalsContact CE2-CD2 3.49Å; Y639-L652 HydrophobicContact CE2-CG 3.98Å; Y639-L652 HydrophobicContact CG-CD2 4.17Å; Y639-V737 PolarHBondContact OH-O 2.82Å; Y639-F739 HydrophobicContact CD1-CD1 4.21Å; Y639-F739 AromaticContact CD1-CE1 3.81Å; Y639-F739 HydrophobicContact CD1-CE1 3.81Å; Y639-F739 HydrophobicContact CD2-CE1 4.2Å; Y639-F739 AromaticContact CE1-CD1 3.53Å; Y639-F739 HydrophobicContact CE1-CD1 3.53Å; Y639-F739 AromaticContact CE1-CE1 3.5Å; Y639-F739 HydrophobicContact CE1-CE1 3.5Å; Y639-F739 HydrophobicContact CE2-CD1 4.42Å; Y639-F739 AromaticContact CE2-CE1 3.89Å; Y639-F739 HydrophobicContact CE2-CE1 3.89Å; Y639-F739 HydrophobicContact CG-CE1 4.17Å; Y639-F739 AromaticContact CZ-CD1 3.65Å; Y639-F739 AromaticContact CZ-CE1 3.55Å; Y639-W748 HydrophobicContact CD1-CB 3.85Å; Y639-W748 WeakPolarHBondContact CD1-O 3.32Å; Y639-W748 HydrophobicContact CG-CB 4.44Å; Y639-W748 HydrophobicContact CG-CE3 4.5Å; Y639-M749 VanDerWaalsContact CD1-C 3.49Å; Y639-P750 HydrophobicContact CD1-CB 4.28Å; Y639-P750 HydrophobicContact CD1-CG 3.78Å; Y639-P750 VanDerWaalsContact CD1-N 3.29Å; Y639-P750 HydrophobicContact CE1-CB 4.46Å; Y639-P750 HydrophobicContact CE1-CG 3.55Å; Y639-P750 HydrophobicContact CG-CG 4.42Å; Y639-P750 WeakPolarHBondContact O-CA 3.42Å; Y639-D751 PolarHBondContact N-OD2 3.02Å; Y639-D751 PolarHBondContact O-N 3Å
640	F	81.4	Confident	75.8	Confident	1 Å²	1	39.1 Å²	39.1	0%	0.004	18%	0.182	C	C	.	.			trans	-105.8	107.5	168.1	-54.6	-62.8	0	0	0	108.5	L633 Y635 P637 G638 D653 E701 D751 T752 L907 Y910	L633-F640 HydrophobicContact CB-CE2 4.15Å; L633-F640 HydrophobicContact CB-CZ 4.12Å; L633-F640 HydrophobicContact CD1-CD1 4.33Å; L633-F640 HydrophobicContact CD1-CE1 3.47Å; L633-F640 VanDerWaalsContact CD1-CE1 3.47Å; L633-F640 HydrophobicContact CD1-CE2 4.34Å; L633-F640 HydrophobicContact CD1-CZ 3.48Å; L633-F640 VanDerWaalsContact CD1-CZ 3.48Å; L633-F640 HydrophobicContact CG-CZ 4.41Å; Y635-F640 HydrophobicContact CD2-CD2 4.03Å; Y635-F640 HydrophobicContact CE2-CD2 4.21Å; P637-F640 HydrophobicContact CG-CE2 4.38Å; G638-F640 PolarHBondContact O-N 2.55Å; F640-D653 PolarHBondContact O-N 3.3Å; F640-E701 WeakPolarHBondContact CB-OE1 3.39Å; F640-D751 HydrophobicContact CE1-CB 4.11Å; F640-T752 HydrophobicContact CD1-CG2 3.6Å; F640-T752 HydrophobicContact CE1-CG2 4.14Å; F640-L907 HydrophobicContact CE1-CD1 4.07Å; F640-L907 HydrophobicContact CZ-CD1 4.5Å; F640-Y910 HydrophobicContact CZ-CD2 4.06Å
641	P	78.9	Confident	74.6	Confident	4 Å²	4	40 Å²	40	3%	0.026	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-74.2	145.9	-177.7	33.9	-35.2	0	0	0	109.4	Y639 W728 P750 T752 G753	Y639-P641 HydrophobicContact CD2-CB 4.48Å; Y639-P641 HydrophobicContact CE2-CB 3.85Å; P641-W728 HydrophobicContact CB-CH2 4.35Å; P641-W728 HydrophobicContact CB-CZ2 3.85Å; P641-W728 HydrophobicContact CG-CH2 3.9Å; P641-W728 HydrophobicContact CG-CZ2 3.57Å; P641-P750 HydrophobicContact CG-CB 4.05Å; P641-P750 HydrophobicContact CG-CG 4.44Å; P641-T752 VanDerWaalsContact CD-O 3.28Å; P641-T752 WeakPolarHBondContact CD-O 3.43Å; P641-T752 WeakPolarHBondContact CG-O 3.49Å; P641-G753 VanDerWaalsContact CD-O 3.3Å; P641-G753 WeakPolarHBondContact CD-O 3.45Å; P641-G753 WeakPolarHBondContact CG-O 3.07Å
642	R	80.7	Confident	73.6	Confident	22 Å²	22	40.8 Å²	40.8	8%	0.083	20%	0.195	C	C	.	.			trans	-54.4	161.8	174.8	74	-159.6	174.2	-142.6	-21	114.1	N644 L645 M647 D650 W728	R642-N644 VanDerWaalsContact CD-O 3.3Å; R642-N644 WeakPolarHBondContact CD-O 3.44Å; R642-N644 PolarHBondContact NE-O 3.08Å; R642-L645 PolarHBondContact NH2-O 2.64Å; R642-M647 PolarHBondContact NH1-O 3.18Å; R642-M647 PolarHBondContact NH2-O 2.9Å; R642-D650 WeakPolarHBondContact CD-O 3.39Å; R642-D650 PolarHBondContact NH1-O 3.33Å; R642-W728 PolarHBondContact O-NE1 2.8Å; R642-W728 VanDerWaalsContact O-NE1 3.15Å
643	D	84.1	Confident	72.9	Confident	3 Å²	3	41.1 Å²	41.1	2%	0.016	20%	0.197	C	C	.	.	S	Bend	trans	-61	-53.3	172.6	-57.9	-10.6	0	0	0	112.2	L645 W728 S791 N850	D643-L645 PolarHBondContact O-N 2.85Å; D643-W728 PolarHBondContact O-NE1 3.16Å; D643-S791 WeakPolarHBondContact O-CB 3.46Å; D643-N850 HydrophobicContact CB-CB 3.99Å
644	N	85.8	Confident	72.3	Confident	1 Å²	1	44 Å²	44	1%	0.005	21%	0.208	C	C	.	.			trans	-92.6	101.1	-172.8	-169.6	-16.2	0	0	0	113.5	R642 R646 M647 A790 S791 N850	R642-N644 VanDerWaalsContact CD-O 3.3Å; R642-N644 WeakPolarHBondContact CD-O 3.44Å; R642-N644 PolarHBondContact NE-O 3.08Å; N644-R646 PolarHBondContact O-N 2.85Å; N644-R646 WeakPolarHBondContact OD1-CB 3.39Å; N644-R646 PolarHBondContact OD1-N 3.46Å; N644-R646 VanDerWaalsContact OD1-N 3.09Å; N644-M647 HydrophobicContact CB-CG 4.47Å; N644-M647 PolarHBondContact O-N 2.83Å; N644-A790 HydrophobicContact CB-CB 4.49Å; N644-S791 PolarHBondContact OD1-OG 3.32Å; N644-N850 WeakPolarHBondContact CB-OD1 3.5Å
645	L	85.1	Confident	72.4	Confident	14 Å²	14	40.6 Å²	40.6	7%	0.073	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-16.3	-178.9	-72.3	173.5	0	0	0	115.4	R642 D643 W728 V733 V737 L775 S791	R642-L645 PolarHBondContact NH2-O 2.64Å; D643-L645 PolarHBondContact O-N 2.85Å; L645-W728 HydrophobicContact CD1-CD2 3.93Å; L645-W728 HydrophobicContact CD1-CE3 4.22Å; L645-W728 HydrophobicContact CD1-CG 4.35Å; L645-W728 HydrophobicContact CD1-CZ2 4.27Å; L645-W728 HydrophobicContact CD2-CH2 4.04Å; L645-W728 HydrophobicContact CD2-CZ2 3.52Å; L645-W728 HydrophobicContact CG-CD2 4.36Å; L645-W728 HydrophobicContact CG-CZ2 4.09Å; L645-V733 HydrophobicContact CD1-CG1 3.93Å; L645-V737 HydrophobicContact CD2-CG1 4.15Å; L645-L775 HydrophobicContact CD1-CD1 4.06Å; L645-L775 HydrophobicContact CD1-CD2 3.36Å; L645-L775 HydrophobicContact CD1-CG 4.33Å; L645-S791 PolarHBondContact N-OG 3.31Å
646	R	83.1	Confident	72.8	Confident	114 Å²	114	40 Å²	40	43%	0.43	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-28.6	177.1	-82.9	-157.6	177.5	174.2	10.3	115.3	N644 E777	N644-R646 PolarHBondContact O-N 2.85Å; N644-R646 WeakPolarHBondContact OD1-CB 3.39Å; N644-R646 PolarHBondContact OD1-N 3.46Å; N644-R646 VanDerWaalsContact OD1-N 3.09Å; R646-E777 WeakPolarHBondContact CD-OE1 3.32Å; R646-E777 WeakPolarHBondContact CG-OE1 3.08Å; R646-E777 VanDerWaalsContact CZ-CD 3.41Å; R646-E777 IonicContact CZ-OE1 2.71Å; R646-E777 IonicContact CZ-OE2 2.72Å; R646-E777 IonicContact NE-OE1 2.93Å; R646-E777 PolarHBondContact NE-OE1 2.79Å; R646-E777 IonicContact NE-OE2 3.59Å; R646-E777 PolarHBondContact NE-OE2 3.26Å; R646-E777 IonicContact NH1-OE1 2.78Å; R646-E777 IonicContact NH2-OE1 3.06Å; R646-E777 IonicContact NH2-OE2 3.45Å; R646-E777 PolarHBondContact NH2-OE2 3.43Å
647	M	76.1	Confident	74.1	Confident	68 Å²	68	39.3 Å²	39.3	34%	0.335	19%	0.191	S	C	.	.			trans	-57.1	153.1	170.9	-64.9	-60.9	-81.2	0	0	107	R642 N644 H856	R642-M647 PolarHBondContact NH1-O 3.18Å; R642-M647 PolarHBondContact NH2-O 2.9Å; N644-M647 HydrophobicContact CB-CG 4.47Å; N644-M647 PolarHBondContact O-N 2.83Å; M647-H856 HydrophobicContact CG-CB 4.47Å
648	K	69	Low	75.6	Confident	176 Å²	176	37.5 Å²	37.5	77%	0.765	18%	0.18	S	C	*	.			trans	-136.3	-15.7	174	-71.5	-172.3	-178.2	178.5	0	112.5
649	N	61.8	Low	76.8	Confident	160 Å²	160	37.5 Å²	37.5	86%	0.856	18%	0.18	S	C	*	.	S	Bend	trans	-82.6	-20.4	-174.2	-59.7	-18.3	0	0	0	112.3
650	D	65.3	Low	77.4	Confident	52 Å²	52	37.2 Å²	37.2	28%	0.278	18%	0.178	S	C	.	.			trans	-133.5	97.7	178.9	-156.3	-10.4	0	0	0	108.3	R642 L652	R642-D650 WeakPolarHBondContact CD-O 3.39Å; R642-D650 PolarHBondContact NH1-O 3.33Å; D650-L652 PolarHBondContact O-N 3.18Å
651	P	65.1	Low	77.7	Confident	45 Å²	45	37.3 Å²	37.3	29%	0.292	18%	0.179	S	C	.	.			trans	-74.8	3.1	-170.5	19.8	-23	0	0	0	115.4
652	L	72.1	Confident	78.1	Confident	15 Å²	15	37.1 Å²	37.1	8%	0.079	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-160.3	128.2	-131	-107.6	175.2	0	0	0	107.4	Y635 Y639 D650 W654 F739	Y635-L652 HydrophobicContact CE2-CD2 4.21Å; Y639-L652 HydrophobicContact CD2-CD2 3.16Å; Y639-L652 HydrophobicContact CD2-CG 4.14Å; Y639-L652 HydrophobicContact CE2-CD2 3.49Å; Y639-L652 VanDerWaalsContact CE2-CD2 3.49Å; Y639-L652 HydrophobicContact CE2-CG 3.98Å; Y639-L652 HydrophobicContact CG-CD2 4.17Å; D650-L652 PolarHBondContact O-N 3.18Å; L652-W654 VanDerWaalsContact C-CZ3 3.47Å; L652-W654 HydrophobicContact CB-CD2 4.2Å; L652-W654 HydrophobicContact CB-CE3 3.46Å; L652-W654 VanDerWaalsContact CB-CE3 3.46Å; L652-W654 HydrophobicContact CB-CH2 3.13Å; L652-W654 HydrophobicContact CB-CZ2 3.89Å; L652-W654 HydrophobicContact CB-CZ3 2.85Å; L652-W654 HydrophobicContact CD1-CH2 2.94Å; L652-W654 HydrophobicContact CD1-CZ2 3.59Å; L652-W654 HydrophobicContact CD1-CZ3 3.7Å; L652-W654 HydrophobicContact CD2-CE3 4.46Å; L652-W654 HydrophobicContact CD2-CH2 3.29Å; L652-W654 HydrophobicContact CD2-CZ3 3.21Å; L652-W654 HydrophobicContact CG-CE3 4.27Å; L652-W654 HydrophobicContact CG-CH2 3.08Å; L652-W654 HydrophobicContact CG-CZ2 4.07Å; L652-W654 HydrophobicContact CG-CZ3 3.21Å; L652-W654 PolarHBondContact O-N 2.87Å; L652-F739 HydrophobicContact CD1-CE1 4.14Å; L652-F739 HydrophobicContact CD1-CZ 3.93Å
653	D	73.3	Confident	78.6	Confident	9 Å²	9	36 Å²	36	5%	0.048	17%	0.174	C	C	.	.			trans	-84.8	91.7	-172.9	-158.3	-41.1	0	0	0	113.7	Y635 F640 N655	Y635-D653 WeakPolarHBondContact CB-O 3.49Å; Y635-D653 WeakPolarHBondContact CD2-O 3.4Å; F640-D653 PolarHBondContact O-N 3.3Å; D653-N655 VanDerWaalsContact C-N 3.33Å; D653-N655 PolarHBondContact OD1-N 3.29Å
654	W	68.1	Low	79	Confident	70 Å²	70	38.1 Å²	38.1	27%	0.265	18%	0.181	S	C	.	.			trans	-84.8	-11.4	-167.9	-92.2	-151.3	0	0	0	113	Y635 L652	Y635-W654 AromaticContact CD1-CD2 3.64Å; Y635-W654 HydrophobicContact CD1-CD2 3.64Å; Y635-W654 AromaticContact CD1-CE3 3.29Å; Y635-W654 HydrophobicContact CD1-CE3 3.29Å; Y635-W654 HydrophobicContact CD1-CG 4.25Å; Y635-W654 HydrophobicContact CD1-CH2 4.1Å; Y635-W654 HydrophobicContact CD1-CZ2 4.43Å; Y635-W654 AromaticContact CD1-CZ3 3.55Å; Y635-W654 HydrophobicContact CD1-CZ3 3.55Å; Y635-W654 AromaticContact CD2-CE3 3.92Å; Y635-W654 HydrophobicContact CD2-CE3 3.92Å; Y635-W654 AromaticContact CD2-CZ3 3.75Å; Y635-W654 HydrophobicContact CD2-CZ3 3.75Å; Y635-W654 AromaticContact CE1-CD2 3.47Å; Y635-W654 HydrophobicContact CE1-CD2 3.47Å; Y635-W654 VanDerWaalsContact CE1-CD2 3.47Å; Y635-W654 AromaticContact CE1-CE2 3.61Å; Y635-W654 AromaticContact CE1-CE3 3.09Å; Y635-W654 HydrophobicContact CE1-CE3 3.09Å; Y635-W654 HydrophobicContact CE1-CG 4.44Å; Y635-W654 AromaticContact CE1-CH2 3.04Å; Y635-W654 HydrophobicContact CE1-CH2 3.04Å; Y635-W654 AromaticContact CE1-CZ2 3.46Å; Y635-W654 HydrophobicContact CE1-CZ2 3.46Å; Y635-W654 VanDerWaalsContact CE1-CZ2 3.46Å; Y635-W654 AromaticContact CE1-CZ3 2.86Å; Y635-W654 HydrophobicContact CE1-CZ3 2.86Å; Y635-W654 AromaticContact CE2-CE3 3.79Å; Y635-W654 HydrophobicContact CE2-CE3 3.79Å; Y635-W654 AromaticContact CE2-CH2 3.82Å; Y635-W654 HydrophobicContact CE2-CH2 3.82Å; Y635-W654 AromaticContact CE2-CZ3 3.14Å; Y635-W654 HydrophobicContact CE2-CZ3 3.14Å; Y635-W654 HydrophobicContact CG-CD2 4.48Å; Y635-W654 AromaticContact CG-CE3 3.77Å; Y635-W654 HydrophobicContact CG-CE3 3.77Å; Y635-W654 AromaticContact CG-CZ3 3.99Å; Y635-W654 HydrophobicContact CG-CZ3 3.99Å; Y635-W654 AromaticContact CZ-CE3 3.46Å; Y635-W654 VanDerWaalsContact CZ-CE3 3.46Å; Y635-W654 AromaticContact CZ-CH2 2.94Å; Y635-W654 AromaticContact CZ-CZ2 3.83Å; Y635-W654 AromaticContact CZ-CZ3 2.72Å; Y635-W654 WeakPolarHBondContact OH-CH2 3.46Å; Y635-W654 WeakPolarHBondContact OH-CZ3 3.28Å; L652-W654 VanDerWaalsContact C-CZ3 3.47Å; L652-W654 HydrophobicContact CB-CD2 4.2Å; L652-W654 HydrophobicContact CB-CE3 3.46Å; L652-W654 VanDerWaalsContact CB-CE3 3.46Å; L652-W654 HydrophobicContact CB-CH2 3.13Å; L652-W654 HydrophobicContact CB-CZ2 3.89Å; L652-W654 HydrophobicContact CB-CZ3 2.85Å; L652-W654 HydrophobicContact CD1-CH2 2.94Å; L652-W654 HydrophobicContact CD1-CZ2 3.59Å; L652-W654 HydrophobicContact CD1-CZ3 3.7Å; L652-W654 HydrophobicContact CD2-CE3 4.46Å; L652-W654 HydrophobicContact CD2-CH2 3.29Å; L652-W654 HydrophobicContact CD2-CZ3 3.21Å; L652-W654 HydrophobicContact CG-CE3 4.27Å; L652-W654 HydrophobicContact CG-CH2 3.08Å; L652-W654 HydrophobicContact CG-CZ2 4.07Å; L652-W654 HydrophobicContact CG-CZ3 3.21Å; L652-W654 PolarHBondContact O-N 2.87Å
655	N	71.3	Confident	79.3	Confident	13 Å²	13	40.2 Å²	40.2	7%	0.07	19%	0.192	C	C	.	.	S	Bend	trans	-96.1	-1.5	-161	-66.5	37.3	0	0	0	113.2	D653 D657 T661 N662	D653-N655 VanDerWaalsContact C-N 3.33Å; D653-N655 PolarHBondContact OD1-N 3.29Å; N655-D657 PolarHBondContact O-N 3.01Å; N655-T661 WeakPolarHBondContact O-CB 3.49Å; N655-T661 PolarHBondContact O-OG1 2.7Å; N655-N662 HydrophobicContact CB-CB 3.7Å
656	G	70	Confident	79.8	Confident	9 Å²	9	39.5 Å²	39.5	9%	0.093	19%	0.189	C	C	.	.			trans	70.6	27.8	165	0	0	0	0	0	114.6	H658	G656-H658 VanDerWaalsContact C-N 3.34Å; G656-H658 PolarHBondContact O-N 2.67Å; G656-H658 VanDerWaalsContact O-N 3.09Å
657	D	82.4	Confident	80.4	Confident	3 Å²	3	34.2 Å²	34.2	2%	0.016	17%	0.169	C	C	.	.	S	Bend	trans	31.3	63.3	170.8	-55.6	-50.5	0	0	0	114.3	Q629 N632 N655 N662 F663	Q629-D657 PolarHBondContact NE2-O 3.08Å; Q629-D657 PolarHBondContact OE1-O 3.5Å; N632-D657 HydrophobicContact CB-CB 4.1Å; N655-D657 PolarHBondContact O-N 3.01Å; D657-N662 VanDerWaalsContact CA-OD1 3.27Å; D657-N662 WeakPolarHBondContact CA-OD1 3.35Å; D657-N662 PolarHBondContact OD1-ND2 3.1Å; D657-F663 HydrophobicContact CB-CE2 4.11Å
658	H	89.4	Confident	81.2	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.167	C	C	.	.			trans	-123.7	140.9	-178	-164.3	-81.1	0	0	0	110.4	L382 G385 Q629 G656 H660 T661 N662 F663	L382-H658 HydrophobicContact CD1-CB 4.03Å; L382-H658 HydrophobicContact CD2-CB 4.4Å; G385-H658 PolarHBondContact O-NE2 3.17Å; Q629-H658 PolarHBondContact OE1-CD2 2.74Å; G656-H658 VanDerWaalsContact C-N 3.34Å; G656-H658 PolarHBondContact O-N 2.67Å; G656-H658 VanDerWaalsContact O-N 3.09Å; H658-H660 AromaticContact CE1-CD2 3.58Å; H658-H660 AromaticContact ND1-CD2 3.92Å; H658-H660 PolarHBondContact ND1-N 2.91Å; H658-H660 PolarHBondContact O-N 3.43Å; H658-T661 HydrophobicContact CB-CG2 4.25Å; H658-T661 WeakPolarHBondContact CB-OG1 3.46Å; H658-T661 PolarHBondContact N-OG1 2.73Å; H658-T661 PolarHBondContact O-N 3.5Å; H658-T661 PolarHBondContact O-OG1 2.81Å; H658-N662 PolarHBondContact N-OD1 3.13Å; H658-N662 PolarHBondContact O-OD1 2.95Å; H658-F663 PolarHBondContact O-N 2.85Å
659	I	91.6	Very high	82.5	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-16.5	-179.9	-167	158.2	0	0	0	115	W627 F663 M666 Y667 V677 V679	W627-I659 HydrophobicContact CB-CD1 4.1Å; W627-I659 HydrophobicContact CD2-CB 4.28Å; W627-I659 HydrophobicContact CD2-CD1 4.22Å; W627-I659 HydrophobicContact CE3-CD1 4.25Å; W627-I659 HydrophobicContact CG-CB 4.36Å; W627-I659 HydrophobicContact CG-CD1 4.17Å; I659-F663 CarbonylContact O-C 3.58Å; I659-M666 HydrophobicContact CD1-CE 4.1Å; I659-M666 HydrophobicContact CG1-CE 4.08Å; I659-Y667 HydrophobicContact CD1-CD2 3.78Å; I659-Y667 HydrophobicContact CG1-CD2 3.77Å; I659-Y667 HydrophobicContact CG1-CG 4.07Å; I659-Y667 WeakPolarHBondContact O-CB 2.95Å; I659-V677 HydrophobicContact CD1-CB 4.15Å; I659-V677 HydrophobicContact CD1-CG1 3.32Å; I659-V679 HydrophobicContact CG2-CG2 3.59Å
660	H	90.6	Very high	84.1	Confident	3 Å²	3	19.9 Å²	19.9	1%	0.014	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.3	4.7	-179.5	-55.9	-45.9	0	0	0	113.4	M377 Y386 W500 P501 H658 Y667	M377-H660 HydrophobicContact CE-CB 4.17Å; Y386-H660 AromaticContact CE1-CD2 3.4Å; Y386-H660 WeakPolarHBondContact CE1-CD2 3.33Å; Y386-H660 AromaticContact CE1-NE2 3.63Å; Y386-H660 AromaticContact CZ-NE2 3.89Å; Y386-H660 PolarHBondContact OH-NE2 3.15Å; W500-H660 HydrophobicContact CH2-CB 3.97Å; W500-H660 WeakPolarHBondContact CH2-O 3.42Å; W500-H660 HydrophobicContact CZ2-CB 4.45Å; P501-H660 HydrophobicContact CB-CB 4.47Å; P501-H660 HydrophobicContact CG-CB 4.3Å; H658-H660 AromaticContact CE1-CD2 3.58Å; H658-H660 AromaticContact ND1-CD2 3.92Å; H658-H660 PolarHBondContact ND1-N 2.91Å; H658-H660 PolarHBondContact O-N 3.43Å; H660-Y667 AromaticContact CE1-CD2 3.83Å; H660-Y667 AromaticContact CE1-CE1 3.86Å; H660-Y667 AromaticContact CE1-CE2 3.68Å; H660-Y667 AromaticContact CE1-CG 3.99Å; H660-Y667 AromaticContact CE1-CZ 3.69Å; H660-Y667 AromaticContact ND1-CD1 3.84Å; H660-Y667 AromaticContact ND1-CG 3.95Å
661	T	88.4	Confident	85.6	Confident	2 Å²	2	19.7 Å²	19.7	1%	0.012	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-89.3	172.6	54.5	0	0	0	0	110.3	L382 N655 H658 R664	L382-T661 HydrophobicContact CD1-CG2 3.81Å; N655-T661 WeakPolarHBondContact O-CB 3.49Å; N655-T661 PolarHBondContact O-OG1 2.7Å; H658-T661 HydrophobicContact CB-CG2 4.25Å; H658-T661 WeakPolarHBondContact CB-OG1 3.46Å; H658-T661 PolarHBondContact N-OG1 2.73Å; H658-T661 PolarHBondContact O-N 3.5Å; H658-T661 PolarHBondContact O-OG1 2.81Å; T661-R664 WeakPolarHBondContact O-CB 3.41Å
662	N	87	Confident	87	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-21.4	-176.6	64.1	-37.5	0	0	0	113.2	N655 D657 H658 D853 D854	N655-N662 HydrophobicContact CB-CB 3.7Å; D657-N662 VanDerWaalsContact CA-OD1 3.27Å; D657-N662 WeakPolarHBondContact CA-OD1 3.35Å; D657-N662 PolarHBondContact OD1-ND2 3.1Å; H658-N662 PolarHBondContact N-OD1 3.13Å; H658-N662 PolarHBondContact O-OD1 2.95Å; N662-D853 VanDerWaalsContact CB-OD1 3.28Å; N662-D853 WeakPolarHBondContact CB-OD1 3.38Å; N662-D854 WeakPolarHBondContact O-CB 3.09Å; N662-D854 VanDerWaalsContact O-CG 3.22Å; N662-D854 PolarHBondContact O-N 3.45Å
663	F	91.9	Very high	88	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	24.2	172.6	-65.1	-77.3	0	0	0	113.6	W627 D657 H658 I659 M666 Y667 V698 L852 D853	W627-F663 HydrophobicContact CH2-CB 4.33Å; W627-F663 HydrophobicContact CH2-CD1 4.22Å; W627-F663 AromaticContact CH2-CD2 3.74Å; W627-F663 HydrophobicContact CH2-CD2 3.74Å; W627-F663 HydrophobicContact CH2-CE2 4.06Å; W627-F663 AromaticContact CH2-CG 3.82Å; W627-F663 HydrophobicContact CH2-CG 3.82Å; W627-F663 HydrophobicContact CH2-CZ 4.44Å; W627-F663 AromaticContact CZ2-CD2 3.99Å; W627-F663 HydrophobicContact CZ2-CD2 3.99Å; W627-F663 HydrophobicContact CZ2-CE2 4.33Å; W627-F663 HydrophobicContact CZ2-CG 4.45Å; D657-F663 HydrophobicContact CB-CE2 4.11Å; H658-F663 PolarHBondContact O-N 2.85Å; I659-F663 CarbonylContact O-C 3.58Å; F663-M666 HydrophobicContact CB-CE 3.95Å; F663-M666 HydrophobicContact CD1-SD 4.42Å; F663-M666 WeakPolarHBondContact O-CB 3.19Å; F663-M666 PolarHBondContact O-N 3.02Å; F663-Y667 PolarHBondContact O-N 3.02Å; F663-V698 HydrophobicContact CE1-CG1 3.7Å; F663-V698 HydrophobicContact CZ-CG1 3.74Å; F663-L852 HydrophobicContact CD1-CB 3.88Å; F663-L852 HydrophobicContact CE1-CB 3.84Å; F663-D853 HydrophobicContact CE1-CB 4.01Å; F663-D853 HydrophobicContact CZ-CB 4.34Å
664	R	91.6	Very high	89	Confident	46 Å²	46	25.9 Å²	25.9	17%	0.174	14%	0.138	C	C	.	.	H	α-helix	trans	-66.3	-43.7	-172.1	173.1	175.6	-174.7	-121.9	6.6	112.8	Y345 W500 T661 M666 Y667 Q668 D854	Y345-R664 VanDerWaalsContact CZ-CZ 3.46Å; Y345-R664 PolarHBondContact OH-NH2 3.11Å; Y345-R664 VanDerWaalsContact OH-NH2 3.13Å; W500-R664 VanDerWaalsContact CH2-CD 3.43Å; W500-R664 HydrophobicContact CH2-CG 3.85Å; W500-R664 HydrophobicContact CZ2-CG 3.69Å; T661-R664 WeakPolarHBondContact O-CB 3.41Å; R664-M666 VanDerWaalsContact C-N 3.32Å; R664-Y667 WeakPolarHBondContact O-CB 3.19Å; R664-Y667 PolarHBondContact O-N 3.43Å; R664-Q668 WeakPolarHBondContact O-CG 3.41Å; R664-Q668 PolarHBondContact O-N 3.3Å; R664-D854 PolarHBondContact N-OD2 3.34Å
665	D	92.6	Very high	90.3	Very high	45 Å²	45	22.8 Å²	22.8	24%	0.241	13%	0.126	C	C	.	.	H	α-helix	trans	-68.9	-35.1	179.5	-65.2	-18.5	0	0	0	110.8	Y667 Q668 H669 D854 R857 F862	D665-Y667 VanDerWaalsContact C-N 3.35Å; D665-Q668 PolarHBondContact O-N 3.36Å; D665-H669 WeakPolarHBondContact O-CB 3.28Å; D665-H669 PolarHBondContact O-N 3.42Å; D665-D854 WeakPolarHBondContact CB-OD1 3.49Å; D665-D854 PolarHBondContact N-OD2 2.83Å; D665-D854 VanDerWaalsContact OD2-OD1 3.14Å; D665-R857 IonicContact OD2-CZ 2.73Å; D665-R857 IonicContact OD2-NH1 2.81Å; D665-R857 IonicContact OD2-NH2 3.18Å; D665-R857 PolarHBondContact OD2-NH2 3.39Å; D665-F862 HydrophobicContact CB-CE2 4.05Å; D665-F862 HydrophobicContact CB-CZ 3.81Å
666	M	94.8	Very high	91.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-58.4	-48.3	171.8	179.3	-157.1	71.2	0	0	110.4	W627 I659 F663 R664 Q668 H669 L670 L696 L852 F862 L865	W627-M666 HydrophobicContact CE3-CE 3.91Å; W627-M666 HydrophobicContact CH2-CE 4.26Å; W627-M666 HydrophobicContact CZ3-CE 3.49Å; W627-M666 VanDerWaalsContact CZ3-CE 3.49Å; W627-M666 HydrophobicContact CZ3-SD 4.15Å; I659-M666 HydrophobicContact CD1-CE 4.1Å; I659-M666 HydrophobicContact CG1-CE 4.08Å; F663-M666 HydrophobicContact CB-CE 3.95Å; F663-M666 HydrophobicContact CD1-SD 4.42Å; F663-M666 WeakPolarHBondContact O-CB 3.19Å; F663-M666 PolarHBondContact O-N 3.02Å; R664-M666 VanDerWaalsContact C-N 3.32Å; M666-Q668 PolarHBondContact O-N 2.92Å; M666-H669 WeakPolarHBondContact O-CB 3.4Å; M666-H669 PolarHBondContact O-N 3.06Å; M666-L670 HydrophobicContact CE-CD1 4.37Å; M666-L670 HydrophobicContact CG-CD1 4.34Å; M666-L670 WeakPolarHBondContact O-CG 3.28Å; M666-L670 PolarHBondContact O-N 3.39Å; M666-L696 HydrophobicContact SD-CD2 4.44Å; M666-L852 HydrophobicContact CG-CD2 4.22Å; M666-L852 HydrophobicContact SD-CB 4.23Å; M666-L852 HydrophobicContact SD-CD1 4.02Å; M666-L852 HydrophobicContact SD-CD2 4.29Å; M666-L852 HydrophobicContact SD-CG 4.43Å; M666-F862 HydrophobicContact CB-CE1 3.71Å; M666-F862 HydrophobicContact CB-CZ 4.17Å; M666-F862 HydrophobicContact CG-CE1 4.29Å; M666-F862 VanDerWaalsContact N-CZ 3.35Å; M666-L865 HydrophobicContact CG-CD2 3.59Å; M666-L865 HydrophobicContact SD-CD2 4.02Å
667	Y	95.4	Very high	92.7	Very high	3 Å²	3	23.1 Å²	23.1	1%	0.012	13%	0.125	C	C	.	.	H	α-helix	trans	-56.6	-48.8	175.5	174.2	-101.8	0	0	0	112.1	S504 I659 H660 F663 R664 D665 H669 L670 R671 V677	S504-Y667 VanDerWaalsContact OG-CE1 3.31Å; S504-Y667 WeakPolarHBondContact OG-CE1 2.97Å; S504-Y667 PolarHBondContact OG-OH 3.02Å; I659-Y667 HydrophobicContact CD1-CD2 3.78Å; I659-Y667 HydrophobicContact CG1-CD2 3.77Å; I659-Y667 HydrophobicContact CG1-CG 4.07Å; I659-Y667 WeakPolarHBondContact O-CB 2.95Å; H660-Y667 AromaticContact CE1-CD2 3.83Å; H660-Y667 AromaticContact CE1-CE1 3.86Å; H660-Y667 AromaticContact CE1-CE2 3.68Å; H660-Y667 AromaticContact CE1-CG 3.99Å; H660-Y667 AromaticContact CE1-CZ 3.69Å; H660-Y667 AromaticContact ND1-CD1 3.84Å; H660-Y667 AromaticContact ND1-CG 3.95Å; F663-Y667 PolarHBondContact O-N 3.02Å; R664-Y667 WeakPolarHBondContact O-CB 3.19Å; R664-Y667 PolarHBondContact O-N 3.43Å; D665-Y667 VanDerWaalsContact C-N 3.35Å; Y667-H669 VanDerWaalsContact C-N 3.29Å; Y667-H669 PolarHBondContact O-N 2.84Å; Y667-L670 PolarHBondContact O-N 2.85Å; Y667-R671 HydrophobicContact CD1-CG 4.21Å; Y667-R671 HydrophobicContact CD2-CG 4.26Å; Y667-R671 HydrophobicContact CE1-CG 3.74Å; Y667-R671 HydrophobicContact CE2-CG 3.8Å; Y667-R671 HydrophobicContact CG-CG 4.45Å; Y667-R671 WeakPolarHBondContact O-CB 3.39Å; Y667-R671 VanDerWaalsContact O-CG 3.29Å; Y667-R671 WeakPolarHBondContact O-CG 3.08Å; Y667-R671 PolarHBondContact O-N 3Å; Y667-V677 HydrophobicContact CD2-CB 4.18Å; Y667-V677 HydrophobicContact CD2-CG2 4.43Å; Y667-V677 HydrophobicContact CE2-CB 4.09Å
668	Q	94.1	Very high	93.3	Very high	63 Å²	63	23.5 Å²	23.5	29%	0.294	13%	0.127	S	C	.	.	H	α-helix	trans	-60.8	-40.1	178.7	-70.7	178.3	25.9	0	0	112	R664 D665 M666 R671 S672	R664-Q668 WeakPolarHBondContact O-CG 3.41Å; R664-Q668 PolarHBondContact O-N 3.3Å; D665-Q668 PolarHBondContact O-N 3.36Å; M666-Q668 PolarHBondContact O-N 2.92Å; Q668-R671 PolarHBondContact O-N 3.08Å; Q668-S672 WeakPolarHBondContact O-CB 3.44Å; Q668-S672 PolarHBondContact O-N 2.77Å
669	H	95.8	Very high	93.4	Very high	40 Å²	40	24.4 Å²	24.4	19%	0.185	13%	0.132	C	C	.	.	H	α-helix	trans	-60.2	-51.7	175	179.6	75.7	0	0	0	111.3	D665 M666 Y667 R671 S672 M673 F862 D866	D665-H669 WeakPolarHBondContact O-CB 3.28Å; D665-H669 PolarHBondContact O-N 3.42Å; M666-H669 WeakPolarHBondContact O-CB 3.4Å; M666-H669 PolarHBondContact O-N 3.06Å; Y667-H669 VanDerWaalsContact C-N 3.29Å; Y667-H669 PolarHBondContact O-N 2.84Å; H669-R671 VanDerWaalsContact C-N 3.3Å; H669-R671 PolarHBondContact O-N 2.99Å; H669-S672 WeakPolarHBondContact O-CA 3.3Å; H669-S672 WeakPolarHBondContact O-CB 3.48Å; H669-S672 PolarHBondContact O-N 3.03Å; H669-S672 PolarHBondContact O-OG 3.22Å; H669-M673 PolarHBondContact O-N 2.84Å; H669-F862 HydrophobicContact CB-CD2 3.94Å; H669-F862 HydrophobicContact CB-CE2 4.2Å; H669-F862 HydrophobicContact CB-CG 4.24Å; H669-F862 AromaticContact CG-CD2 3.9Å; H669-F862 AromaticContact CG-CG 3.95Å; H669-D866 IonicContact CD2-OD1 2.71Å; H669-D866 IonicContact CE1-OD2 3.75Å; H669-D866 PolarHBondContact CE1-OD2 2.98Å; H669-D866 IonicContact NE2-OD1 4Å; H669-D866 PolarHBondContact NE2-OD1 3.45Å; H669-D866 IonicContact NE2-OD2 3.32Å; H669-D866 PolarHBondContact NE2-OD2 3.46Å
670	L	96.3	Very high	93.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-57.7	-41.7	177.2	-69.7	178.6	0	0	0	112.5	M666 Y667 M673 G674 Y675 V677 L865 L869	M666-L670 HydrophobicContact CE-CD1 4.37Å; M666-L670 HydrophobicContact CG-CD1 4.34Å; M666-L670 WeakPolarHBondContact O-CG 3.28Å; M666-L670 PolarHBondContact O-N 3.39Å; Y667-L670 PolarHBondContact O-N 2.85Å; L670-M673 PolarHBondContact O-N 3.03Å; L670-G674 PolarHBondContact O-N 2.85Å; L670-Y675 HydrophobicContact CD2-CD2 4.2Å; L670-Y675 PolarHBondContact O-N 3.04Å; L670-V677 HydrophobicContact CB-CG2 3.89Å; L670-V677 HydrophobicContact CD1-CG2 3.85Å; L670-L865 HydrophobicContact CD1-CD2 4.3Å; L670-L865 HydrophobicContact CD2-CD2 3.81Å; L670-L865 HydrophobicContact CD2-CG 4.18Å; L670-L865 HydrophobicContact CG-CD2 4.16Å; L670-L869 HydrophobicContact CD2-CD1 3.31Å
671	R	95.1	Very high	93.5	Very high	47 Å²	47	26.2 Å²	26.2	18%	0.177	15%	0.151	C	C	.	.	H	α-helix	trans	-63.7	-40.1	174.7	-69.5	-56.1	-56.5	155.3	-3.3	112	S504 Q505 Y667 Q668 H669 M673 G674 Y675 F676	S504-R671 PolarHBondContact O-NE 2.96Å; S504-R671 PolarHBondContact O-NH2 3.46Å; Q505-R671 VanDerWaalsContact CB-CZ 3.42Å; Q505-R671 VanDerWaalsContact CB-NH2 3.32Å; Y667-R671 HydrophobicContact CD1-CG 4.21Å; Y667-R671 HydrophobicContact CD2-CG 4.26Å; Y667-R671 HydrophobicContact CE1-CG 3.74Å; Y667-R671 HydrophobicContact CE2-CG 3.8Å; Y667-R671 HydrophobicContact CG-CG 4.45Å; Y667-R671 WeakPolarHBondContact O-CB 3.39Å; Y667-R671 VanDerWaalsContact O-CG 3.29Å; Y667-R671 WeakPolarHBondContact O-CG 3.08Å; Y667-R671 PolarHBondContact O-N 3Å; Q668-R671 PolarHBondContact O-N 3.08Å; H669-R671 VanDerWaalsContact C-N 3.3Å; H669-R671 PolarHBondContact O-N 2.99Å; R671-M673 PolarHBondContact O-N 3.2Å; R671-G674 PolarHBondContact O-N 3.11Å; R671-G674 VanDerWaalsContact O-N 3.07Å; R671-Y675 WeakPolarHBondContact CD-O 3.33Å; R671-Y675 PolarHBondContact NH1-O 2.75Å; R671-F676 VanDerWaalsContact NH1-CD1 3.25Å
672	S	95	Very high	93.6	Very high	90 Å²	90	26.6 Å²	26.6	63%	0.629	15%	0.154	S	C	*	.	H	α-helix	trans	-64.3	-29.2	176.5	83.5	0	0	0	0	112.9	Q668 H669 G674	Q668-S672 WeakPolarHBondContact O-CB 3.44Å; Q668-S672 PolarHBondContact O-N 2.77Å; H669-S672 WeakPolarHBondContact O-CA 3.3Å; H669-S672 WeakPolarHBondContact O-CB 3.48Å; H669-S672 PolarHBondContact O-N 3.03Å; H669-S672 PolarHBondContact O-OG 3.22Å; S672-G674 VanDerWaalsContact C-N 3.28Å; S672-G674 PolarHBondContact O-N 3.42Å
673	M	93.2	Very high	93.9	Very high	75 Å²	75	26.9 Å²	26.9	37%	0.369	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-0.2	175.3	-67.4	-62.4	-77	0	0	113.8	K623 H669 L670 R671 Y675	K623-M673 PolarHBondContact NZ-O 3.45Å; H669-M673 PolarHBondContact O-N 2.84Å; L670-M673 PolarHBondContact O-N 3.03Å; R671-M673 PolarHBondContact O-N 3.2Å; M673-Y675 HydrophobicContact CB-CD2 3.83Å; M673-Y675 HydrophobicContact CB-CE2 3.98Å
674	G	94.3	Very high	94.1	Very high	34 Å²	34	26.9 Å²	26.9	35%	0.351	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	80	19	176.5	0	0	0	0	0	114.8	L670 R671 S672	L670-G674 PolarHBondContact O-N 2.85Å; R671-G674 PolarHBondContact O-N 3.11Å; R671-G674 VanDerWaalsContact O-N 3.07Å; S672-G674 VanDerWaalsContact C-N 3.28Å; S672-G674 PolarHBondContact O-N 3.42Å
675	Y	95.9	Very high	94.3	Very high	5 Å²	5	26.6 Å²	26.6	2%	0.02	16%	0.159	C	C	.	.			trans	-82.6	141.8	170.6	-67.7	-78.1	0	0	0	110.9	K623 V625 L670 R671 M673 L869	K623-Y675 HydrophobicContact CD-CD1 3.89Å; K623-Y675 HydrophobicContact CD-CE1 3.91Å; K623-Y675 CarbonylContact O-C 3.5Å; K623-Y675 WeakPolarHBondContact O-CA 3.45Å; V625-Y675 HydrophobicContact CG2-CD1 3.89Å; V625-Y675 HydrophobicContact CG2-CG 4.33Å; L670-Y675 HydrophobicContact CD2-CD2 4.2Å; L670-Y675 PolarHBondContact O-N 3.04Å; R671-Y675 WeakPolarHBondContact CD-O 3.33Å; R671-Y675 PolarHBondContact NH1-O 2.75Å; M673-Y675 HydrophobicContact CB-CD2 3.83Å; M673-Y675 HydrophobicContact CB-CE2 3.98Å; Y675-L869 HydrophobicContact CD2-CD1 4.16Å; Y675-L869 HydrophobicContact CE1-CB 4.34Å; Y675-L869 HydrophobicContact CE1-CD1 4.43Å; Y675-L869 HydrophobicContact CE2-CB 4.36Å; Y675-L869 HydrophobicContact CE2-CD1 3.91Å
676	F	96.3	Very high	94.3	Very high	27 Å²	27	26.1 Å²	26.1	12%	0.118	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	121.9	169.9	-65.5	-93.2	0	0	0	108.4	P506 Y508 I616 P619 K623 V625 R671	P506-F676 HydrophobicContact CG-CE1 4.05Å; Y508-F676 HydrophobicContact CD1-CD1 4.23Å; Y508-F676 HydrophobicContact CD1-CE1 4.46Å; Y508-F676 HydrophobicContact CE1-CB 4.01Å; Y508-F676 AromaticContact CE1-CD1 3.56Å; Y508-F676 HydrophobicContact CE1-CD1 3.56Å; Y508-F676 HydrophobicContact CE1-CE1 4.2Å; Y508-F676 AromaticContact CE1-CG 3.85Å; Y508-F676 HydrophobicContact CE1-CG 3.85Å; Y508-F676 WeakPolarHBondContact OH-CB 3.46Å; I616-F676 HydrophobicContact CD1-CE1 3.51Å; I616-F676 HydrophobicContact CD1-CE2 4.45Å; I616-F676 HydrophobicContact CD1-CZ 3.39Å; P619-F676 HydrophobicContact CB-CD2 3.72Å; P619-F676 HydrophobicContact CB-CE2 3.7Å; P619-F676 HydrophobicContact CB-CG 4.47Å; P619-F676 HydrophobicContact CB-CZ 4.44Å; P619-F676 HydrophobicContact CG-CD1 4.25Å; P619-F676 HydrophobicContact CG-CD2 3.61Å; P619-F676 HydrophobicContact CG-CE1 4.14Å; P619-F676 HydrophobicContact CG-CE2 3.5Å; P619-F676 HydrophobicContact CG-CG 3.99Å; P619-F676 HydrophobicContact CG-CZ 3.77Å; K623-F676 PolarHBondContact O-N 2.88Å; V625-F676 PolarHBondContact N-O 3.28Å; R671-F676 VanDerWaalsContact NH1-CD1 3.25Å
677	V	95.6	Very high	94.3	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.012	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	122.1	-174.8	-162	0	0	0	0	108.7	Q505 V625 W627 I659 Y667 L670	Q505-V677 PolarHBondContact NE2-O 3.46Å; Q505-V677 PolarHBondContact OE1-O 3.17Å; V625-V677 HydrophobicContact CB-CG1 4.49Å; V625-V677 HydrophobicContact CG1-CG1 4.49Å; V625-V677 WeakPolarHBondContact O-CA 3.33Å; W627-V677 HydrophobicContact CB-CG1 4.33Å; I659-V677 HydrophobicContact CD1-CB 4.15Å; I659-V677 HydrophobicContact CD1-CG1 3.32Å; Y667-V677 HydrophobicContact CD2-CB 4.18Å; Y667-V677 HydrophobicContact CD2-CG2 4.43Å; Y667-V677 HydrophobicContact CE2-CB 4.09Å; L670-V677 HydrophobicContact CB-CG2 3.89Å; L670-V677 HydrophobicContact CD1-CG2 3.85Å
678	E	94.1	Very high	94.2	Very high	11 Å²	11	30.8 Å²	30.8	5%	0.051	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	148.3	-175.5	-61.7	178.3	-144.8	0	0	109.5	Y508 G511 M512 R624 V625 L626 W627 Y692	Y508-E678 VanDerWaalsContact CZ-OE1 3.25Å; Y508-E678 PolarHBondContact OH-OE1 3.08Å; G511-E678 WeakPolarHBondContact CA-OE2 3.38Å; M512-E678 HydrophobicContact CB-CB 4.16Å; M512-E678 WeakPolarHBondContact CB-OE2 3.07Å; M512-E678 HydrophobicContact CG-CB 4.17Å; M512-E678 WeakPolarHBondContact CG-OE2 3.09Å; M512-E678 PolarHBondContact N-OE2 3.36Å; R624-E678 IonicContact CZ-OE1 3.41Å; R624-E678 IonicContact NE-OE1 3.43Å; R624-E678 IonicContact NH2-OE1 3.19Å; R624-E678 PolarHBondContact NH2-OE1 3.42Å; V625-E678 PolarHBondContact O-N 3.41Å; L626-E678 HydrophobicContact CD1-CB 3.94Å; W627-E678 WeakPolarHBondContact CB-O 3.47Å; W627-E678 PolarHBondContact N-O 3.34Å; E678-Y692 HydrophobicContact CB-CE1 4.38Å; E678-Y692 VanDerWaalsContact CD-CE1 3.42Å; E678-Y692 HydrophobicContact CG-CE1 4.38Å; E678-Y692 WeakPolarHBondContact OE1-CE1 3.39Å; E678-Y692 WeakPolarHBondContact OE2-CE1 3.17Å; E678-Y692 VanDerWaalsContact OE2-CZ 3.24Å; E678-Y692 PolarHBondContact OE2-OH 3.33Å
679	V	92.9	Very high	94.2	Very high	20 Å²	20	28 Å²	28	12%	0.121	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	119.7	-174.3	-177	0	0	0	0	109.4	Q629 I659	Q629-V679 HydrophobicContact CB-CG1 3.57Å; Q629-V679 HydrophobicContact CG-CG1 4.06Å; I659-V679 HydrophobicContact CG2-CG2 3.59Å
680	L	92.6	Very high	94.1	Very high	5 Å²	5	29.6 Å²	29.6	3%	0.026	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	102.9	176	-179.5	65.4	0	0	0	110	L626 W627 Q629 Y630 A682 F684 F687	L626-L680 HydrophobicContact CD1-CB 3.93Å; L626-L680 HydrophobicContact CD2-CB 4.25Å; L626-L680 HydrophobicContact CD2-CD2 4.07Å; L626-L680 HydrophobicContact CG-CB 3.97Å; W627-L680 WeakPolarHBondContact O-CB 3.43Å; W627-L680 PolarHBondContact O-N 3.46Å; Q629-L680 WeakPolarHBondContact CB-O 3.49Å; Q629-L680 PolarHBondContact N-O 3.45Å; Y630-L680 PolarHBondContact N-O 3.27Å; Y630-L680 VanDerWaalsContact N-O 3.07Å; L680-A682 WeakPolarHBondContact CG-O 3.48Å; L680-F684 HydrophobicContact CD2-CD1 3.75Å; L680-F684 HydrophobicContact CD2-CE1 4.1Å; L680-F687 HydrophobicContact CD1-CB 4.12Å; L680-F687 HydrophobicContact CD1-CD1 4.12Å; L680-F687 HydrophobicContact CD1-CG 4.42Å; L680-F687 HydrophobicContact CD2-CD1 3.61Å; L680-F687 HydrophobicContact CD2-CE1 3.83Å; L680-F687 HydrophobicContact CD2-CG 4.46Å
681	G	90.4	Very high	94	Very high	36 Å²	36	32.6 Å²	32.6	37%	0.371	20%	0.201	S	C	.	.			trans	-97.4	24.4	176	0	0	0	0	0	114.4	Y630	Y630-G681 WeakPolarHBondContact CD2-O 3.48Å
682	A	91.6	Very high	94	Very high	10 Å²	10	30.4 Å²	30.4	8%	0.083	19%	0.193	C	C	.	.	S	Bend	trans	-142.1	162.7	-177.8	0	0	0	0	0	110.8	Y630 L680 C686 P930	Y630-A682 WeakPolarHBondContact CB-O 3.29Å; Y630-A682 VanDerWaalsContact CG-C 3.46Å; L680-A682 WeakPolarHBondContact CG-O 3.48Å; A682-C686 HydrophobicContact CB-CB 3.98Å; A682-P930 HydrophobicContact CB-CG 3.96Å
683	P	93.6	Very high	94	Very high	5 Å²	5	26.4 Å²	26.4	3%	0.032	17%	0.166	C	C	.	.			trans	-54.3	155.4	177.3	-23.9	31.4	0	0	0	112.9	Y630 T685 C686 E708 L926 P927	Y630-P683 HydrophobicContact CD1-CG 4.33Å; Y630-P683 HydrophobicContact CE1-CB 4.26Å; Y630-P683 HydrophobicContact CE1-CG 3.74Å; Y630-P683 HydrophobicContact CE2-CG 4.27Å; P683-T685 PolarHBondContact O-N 3.05Å; P683-C686 WeakPolarHBondContact O-CB 3.36Å; P683-C686 PolarHBondContact O-N 3.49Å; P683-E708 WeakPolarHBondContact CA-OE1 3.44Å; P683-E708 HydrophobicContact CB-CG 4.23Å; P683-E708 VanDerWaalsContact CB-OE1 3.27Å; P683-E708 WeakPolarHBondContact CB-OE1 3.47Å; P683-L926 HydrophobicContact CB-CD1 4.25Å; P683-L926 HydrophobicContact CG-CD1 4.46Å; P683-P927 HydrophobicContact CG-CG 3.8Å
684	F	95.4	Very high	94.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-57.9	-26.5	180	-65	-20.4	0	0	0	113	D628 H631 L680 C686 F687 L695 M697 Y704 E708 K711 L712	D628-F684 HydrophobicContact CB-CE1 4.22Å; D628-F684 WeakPolarHBondContact OD2-CE1 3.18Å; D628-F684 VanDerWaalsContact OD2-CZ 3.23Å; D628-F684 WeakPolarHBondContact OD2-CZ 3.46Å; H631-F684 AromaticContact CE1-CD1 3.91Å; H631-F684 AromaticContact CE1-CE1 3.53Å; H631-F684 AromaticContact CE1-CE2 3.95Å; H631-F684 AromaticContact CE1-CZ 3.55Å; H631-F684 AromaticContact ND1-CE1 3.65Å; H631-F684 AromaticContact ND1-CZ 3.62Å; L680-F684 HydrophobicContact CD2-CD1 3.75Å; L680-F684 HydrophobicContact CD2-CE1 4.1Å; F684-C686 PolarHBondContact O-N 3.43Å; F684-C686 VanDerWaalsContact O-N 3.11Å; F684-F687 HydrophobicContact CB-CE1 3.97Å; F684-F687 HydrophobicContact CD1-CE1 4.03Å; F684-F687 HydrophobicContact CG-CE1 4.29Å; F684-F687 WeakPolarHBondContact O-CD1 3.48Å; F684-F687 WeakPolarHBondContact O-CE1 3.48Å; F684-L695 HydrophobicContact CD1-CD2 4.41Å; F684-L695 HydrophobicContact CE1-CD2 4Å; F684-L695 HydrophobicContact CE2-CD2 4.49Å; F684-L695 HydrophobicContact CZ-CD2 4.04Å; F684-M697 HydrophobicContact CE2-CE 4.2Å; F684-M697 HydrophobicContact CE2-SD 4.46Å; F684-M697 HydrophobicContact CZ-CE 3.89Å; F684-M697 HydrophobicContact CZ-SD 4.12Å; F684-Y704 AromaticContact CE2-CD1 3.98Å; F684-Y704 HydrophobicContact CE2-CD1 3.98Å; F684-Y704 AromaticContact CE2-CE1 3.7Å; F684-Y704 HydrophobicContact CE2-CE1 3.7Å; F684-Y704 AromaticContact CZ-CE1 3.97Å; F684-Y704 HydrophobicContact CZ-CE1 3.97Å; F684-E708 HydrophobicContact CB-CB 4.15Å; F684-E708 HydrophobicContact CB-CG 4.06Å; F684-E708 HydrophobicContact CD2-CB 4.18Å; F684-E708 PolarHBondContact N-OE1 3.15Å; F684-K711 WeakPolarHBondContact O-CD 3.49Å; F684-K711 WeakPolarHBondContact O-CE 3.42Å; F684-K711 PolarHBondContact O-NZ 3.27Å; F684-L712 HydrophobicContact CD2-CB 4.43Å; F684-L712 HydrophobicContact CD2-CD1 4.38Å; F684-L712 HydrophobicContact CD2-CD2 4.23Å; F684-L712 HydrophobicContact CE2-CD2 4.09Å
685	T	94.9	Very high	94.3	Very high	40 Å²	40	21.2 Å²	21.2	25%	0.245	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-61.9	-14.7	175.2	56.1	0	0	0	0	113.9	P683 E707 E708 K711 L926	P683-T685 PolarHBondContact O-N 3.05Å; T685-E707 HydrophobicContact CG2-CB 4.1Å; T685-E708 HydrophobicContact CG2-CG 4.11Å; T685-K711 HydrophobicContact CG2-CB 4.36Å; T685-L926 HydrophobicContact CG2-CD1 4.43Å; T685-L926 HydrophobicContact CG2-CD2 4.11Å
686	C	93.4	Very high	94.4	Very high	36 Å²	36	21 Å²	21	24%	0.243	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-99.9	-0.5	-170.2	-60	0	0	0	0	116.4	A682 P683 F684 C929	A682-C686 HydrophobicContact CB-CB 3.98Å; P683-C686 WeakPolarHBondContact O-CB 3.36Å; P683-C686 PolarHBondContact O-N 3.49Å; F684-C686 PolarHBondContact O-N 3.43Å; F684-C686 VanDerWaalsContact O-N 3.11Å; C686-C929 WeakPolarHBondContact CA-SG 3.41Å; C686-C929 HydrophobicContact CB-CB 3.66Å; C686-C929 WeakPolarHBondContact CB-SG 3.28Å; C686-C929 WeakPolarHBondContact SG-CA 3.41Å; C686-C929 WeakPolarHBondContact SG-CB 3.44Å; C686-C929 CovalentContact SG-SG 2.04Å; C686-C929 PolarHBondContact SG-SG 3.37Å
687	F	93.7	Very high	94.4	Very high	11 Å²	11	19.8 Å²	19.8	5%	0.048	13%	0.126	C	C	.	.	S	Bend	trans	-120.6	151.5	177	79	-87.3	0	0	0	112.8	M512 L626 L680 F684 A689 Y692 L695 K711 L720	M512-F687 HydrophobicContact CE-CB 3.86Å; L626-F687 HydrophobicContact CD2-CB 4.47Å; L626-F687 HydrophobicContact CD2-CD1 4.14Å; L626-F687 HydrophobicContact CD2-CD2 3.58Å; L626-F687 HydrophobicContact CD2-CE1 4.26Å; L626-F687 HydrophobicContact CD2-CE2 3.72Å; L626-F687 HydrophobicContact CD2-CG 3.81Å; L626-F687 HydrophobicContact CD2-CZ 4.07Å; L680-F687 HydrophobicContact CD1-CB 4.12Å; L680-F687 HydrophobicContact CD1-CD1 4.12Å; L680-F687 HydrophobicContact CD1-CG 4.42Å; L680-F687 HydrophobicContact CD2-CD1 3.61Å; L680-F687 HydrophobicContact CD2-CE1 3.83Å; L680-F687 HydrophobicContact CD2-CG 4.46Å; F684-F687 HydrophobicContact CB-CE1 3.97Å; F684-F687 HydrophobicContact CD1-CE1 4.03Å; F684-F687 HydrophobicContact CG-CE1 4.29Å; F684-F687 WeakPolarHBondContact O-CD1 3.48Å; F684-F687 WeakPolarHBondContact O-CE1 3.48Å; F687-A689 HydrophobicContact CD2-CB 4.48Å; F687-A689 HydrophobicContact CE2-CB 3.82Å; F687-Y692 HydrophobicContact CD2-CD2 4.05Å; F687-Y692 HydrophobicContact CD2-CE2 4.28Å; F687-Y692 HydrophobicContact CE2-CD2 4.46Å; F687-L695 HydrophobicContact CZ-CD2 4.42Å; F687-K711 PolarHBondContact O-NZ 3Å; F687-L720 HydrophobicContact CE2-CD2 4.36Å; F687-L720 HydrophobicContact CZ-CD2 4.18Å
688	D	94.3	Very high	94.3	Very high	89 Å²	89	19.8 Å²	19.8	48%	0.476	13%	0.126	S	C	.	.			trans	-86.9	108	173.3	177.3	5.6	0	0	0	110.3	S690 Q691 Y692	D688-S690 PolarHBondContact O-N 3.29Å; D688-S690 VanDerWaalsContact OD1-CB 3.28Å; D688-S690 WeakPolarHBondContact OD1-CB 3.44Å; D688-S690 PolarHBondContact OD1-N 3.29Å; D688-S690 PolarHBondContact OD1-OG 3.05Å; D688-S690 PolarHBondContact OD2-OG 3.46Å; D688-Q691 HydrophobicContact CB-CG 4.2Å; D688-Q691 WeakPolarHBondContact O-CB 3.28Å; D688-Q691 PolarHBondContact O-N 3.11Å; D688-Y692 WeakPolarHBondContact O-CD2 3.23Å
689	A	94.4	Very high	94.2	Very high	6 Å²	6	19.3 Å²	19.3	5%	0.05	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-67.8	-19.5	-178.5	0	0	0	0	0	114.3	F687 Q691 Y692 D715 L720	F687-A689 HydrophobicContact CD2-CB 4.48Å; F687-A689 HydrophobicContact CE2-CB 3.82Å; A689-Q691 PolarHBondContact O-N 3.5Å; A689-Y692 PolarHBondContact O-N 3.18Å; A689-Y692 VanDerWaalsContact O-O 3.12Å; A689-D715 HydrophobicContact CB-CB 3.55Å; A689-D715 VanDerWaalsContact CB-OD2 3.31Å; A689-D715 WeakPolarHBondContact CB-OD2 3.43Å; A689-L720 HydrophobicContact CB-CB 4.26Å; A689-L720 HydrophobicContact CB-CD1 4.38Å; A689-L720 HydrophobicContact CB-CD2 3.96Å; A689-L720 HydrophobicContact CB-CG 4.43Å
690	S	93.1	Very high	94.2	Very high	72 Å²	72	18.5 Å²	18.5	50%	0.503	12%	0.119	S	C	.	.	G	3₁₀ helix	trans	-63.9	-22.5	177.4	74.3	0	0	0	0	112.5	R621 D688	R621-S690 VanDerWaalsContact CD-O 3.28Å; R621-S690 WeakPolarHBondContact CD-O 3.29Å; R621-S690 PolarHBondContact NE-O 3.4Å; D688-S690 PolarHBondContact O-N 3.29Å; D688-S690 VanDerWaalsContact OD1-CB 3.28Å; D688-S690 WeakPolarHBondContact OD1-CB 3.44Å; D688-S690 PolarHBondContact OD1-N 3.29Å; D688-S690 PolarHBondContact OD1-OG 3.05Å; D688-S690 PolarHBondContact OD2-OG 3.46Å
691	Q	93.9	Very high	94.1	Very high	63 Å²	63	18.5 Å²	18.5	29%	0.294	12%	0.118	S	C	.	.	G	3₁₀ helix	trans	-78.6	-20.9	180	-62.5	-58.6	-38.9	0	0	113.6	R624 D688 A689	R624-Q691 WeakPolarHBondContact CD-O 3.35Å; R624-Q691 PolarHBondContact NE-O 3.45Å; R624-Q691 PolarHBondContact NH1-O 2.73Å; D688-Q691 HydrophobicContact CB-CG 4.2Å; D688-Q691 WeakPolarHBondContact O-CB 3.28Å; D688-Q691 PolarHBondContact O-N 3.11Å; A689-Q691 PolarHBondContact O-N 3.5Å
692	Y	95.8	Very high	94.1	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.008	10%	0.101	C	C	.	.			trans	-116.7	141.5	-169.4	-61.2	-83.3	0	0	0	111.9	M512 R621 R624 L626 E678 F687 D688 A689	M512-Y692 HydrophobicContact CE-CE2 4.05Å; M512-Y692 WeakPolarHBondContact CE-OH 3.37Å; M512-Y692 WeakPolarHBondContact CG-OH 3.42Å; M512-Y692 PolarHBondContact N-OH 3.2Å; R621-Y692 PolarHBondContact NE-O 2.83Å; R621-Y692 PolarHBondContact NH2-O 3.29Å; R624-Y692 HydrophobicContact CB-CD1 4.21Å; L626-Y692 HydrophobicContact CB-CD1 3.84Å; L626-Y692 HydrophobicContact CB-CE1 4.24Å; L626-Y692 HydrophobicContact CB-CG 4.16Å; L626-Y692 HydrophobicContact CD1-CD1 4.41Å; L626-Y692 HydrophobicContact CD1-CE1 3.95Å; L626-Y692 HydrophobicContact CD2-CD2 4.21Å; L626-Y692 HydrophobicContact CD2-CE2 4.3Å; L626-Y692 HydrophobicContact CD2-CG 4.35Å; E678-Y692 HydrophobicContact CB-CE1 4.38Å; E678-Y692 VanDerWaalsContact CD-CE1 3.42Å; E678-Y692 HydrophobicContact CG-CE1 4.38Å; E678-Y692 WeakPolarHBondContact OE1-CE1 3.39Å; E678-Y692 WeakPolarHBondContact OE2-CE1 3.17Å; E678-Y692 VanDerWaalsContact OE2-CZ 3.24Å; E678-Y692 PolarHBondContact OE2-OH 3.33Å; F687-Y692 HydrophobicContact CD2-CD2 4.05Å; F687-Y692 HydrophobicContact CD2-CE2 4.28Å; F687-Y692 HydrophobicContact CE2-CD2 4.46Å; D688-Y692 WeakPolarHBondContact O-CD2 3.23Å; A689-Y692 PolarHBondContact O-N 3.18Å; A689-Y692 VanDerWaalsContact O-O 3.12Å
693	G	94.7	Very high	94.2	Very high	6 Å²	6	16.8 Å²	16.8	6%	0.062	10%	0.099	C	C	.	.	S	Bend	trans	-80.4	-44.8	174.4	0	0	0	0	0	111.9	R621 R624 S721	R621-G693 WeakPolarHBondContact O-CA 3.47Å; R621-G693 PolarHBondContact O-N 3.35Å; R621-G693 VanDerWaalsContact O-N 3.12Å; R624-G693 PolarHBondContact O-N 3.18Å; R624-G693 VanDerWaalsContact O-N 3.13Å; G693-S721 WeakPolarHBondContact O-CB 3.18Å; G693-S721 PolarHBondContact O-N 3.28Å
694	T	96.7	Very high	94.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	132.5	-172.9	-55.1	0	0	0	0	111	V625 L626 S721 V723 L869 T872	V625-T694 WeakPolarHBondContact CA-O 3.27Å; L626-T694 PolarHBondContact N-O 2.85Å; T694-S721 CarbonylContact C-O 3.56Å; T694-S721 WeakPolarHBondContact CA-O 3.28Å; T694-V723 HydrophobicContact CG2-CB 4.34Å; T694-V723 HydrophobicContact CG2-CG2 3.67Å; T694-L869 HydrophobicContact CG2-CD2 4.03Å; T694-T872 PolarHBondContact OG1-OG1 2.86Å
695	L	97.5	Very high	94.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	124.4	163.3	173.2	68.9	0	0	0	108.2	L626 D628 F684 F687 M697 L712 L720 S721 L722 V723	L626-L695 HydrophobicContact CB-CD1 4.06Å; L626-L695 HydrophobicContact CD2-CD1 4.13Å; L626-L695 HydrophobicContact CG-CD1 4.05Å; L626-L695 CarbonylContact O-C 3.53Å; L626-L695 WeakPolarHBondContact O-CA 3.49Å; D628-L695 HydrophobicContact CB-CD1 4.33Å; F684-L695 HydrophobicContact CD1-CD2 4.41Å; F684-L695 HydrophobicContact CE1-CD2 4Å; F684-L695 HydrophobicContact CE2-CD2 4.49Å; F684-L695 HydrophobicContact CZ-CD2 4.04Å; F687-L695 HydrophobicContact CZ-CD2 4.42Å; L695-M697 HydrophobicContact CD2-CG 4.42Å; L695-M697 HydrophobicContact CD2-SD 4.35Å; L695-M697 HydrophobicContact CG-CG 4.19Å; L695-L712 HydrophobicContact CD2-CD1 3.84Å; L695-L720 HydrophobicContact CB-CD1 4.41Å; L695-L720 HydrophobicContact CB-CD2 4.29Å; L695-S721 PolarHBondContact N-O 3.25Å; L695-L722 HydrophobicContact CB-CD2 3.89Å; L695-L722 HydrophobicContact CD2-CD2 3.8Å; L695-L722 HydrophobicContact CG-CD2 4.2Å; L695-L722 WeakPolarHBondContact O-CA 3.49Å; L695-V723 PolarHBondContact O-N 3.45Å
696	L	97.2	Very high	94.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	117.1	-179.2	179.5	61.4	0	0	0	108.3	V625 L626 W627 D628 M666 V698 V723 F725 L865	V625-L696 HydrophobicContact CG1-CB 3.97Å; V625-L696 HydrophobicContact CG1-CD2 4.41Å; L626-L696 PolarHBondContact O-N 2.68Å; W627-L696 HydrophobicContact CE3-CD2 3.9Å; W627-L696 HydrophobicContact CE3-CG 4.13Å; W627-L696 HydrophobicContact CZ3-CD2 4.16Å; W627-L696 HydrophobicContact CZ3-CG 4.39Å; D628-L696 PolarHBondContact N-O 3.31Å; M666-L696 HydrophobicContact SD-CD2 4.44Å; L696-V698 HydrophobicContact CD1-CG2 3.84Å; L696-V698 HydrophobicContact CD2-CG2 4.37Å; L696-V698 HydrophobicContact CG-CG2 3.81Å; L696-V723 HydrophobicContact CD1-CB 3.83Å; L696-V723 HydrophobicContact CD1-CG1 3.74Å; L696-F725 HydrophobicContact CD1-CD2 4.16Å; L696-F725 HydrophobicContact CD1-CE2 4.41Å; L696-L865 HydrophobicContact CD1-CD1 4.35Å
697	M	96.4	Very high	94.2	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.01	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	120.4	177.9	-57.6	171.3	64.3	0	0	107	D628 F684 L695 Y704 V723 I724 F725 L760 L763	D628-M697 HydrophobicContact CB-CG 4.21Å; F684-M697 HydrophobicContact CE2-CE 4.2Å; F684-M697 HydrophobicContact CE2-SD 4.46Å; F684-M697 HydrophobicContact CZ-CE 3.89Å; F684-M697 HydrophobicContact CZ-SD 4.12Å; L695-M697 HydrophobicContact CD2-CG 4.42Å; L695-M697 HydrophobicContact CD2-SD 4.35Å; L695-M697 HydrophobicContact CG-CG 4.19Å; M697-Y704 HydrophobicContact CE-CE1 3.89Å; M697-Y704 WeakPolarHBondContact CE-OH 3.41Å; M697-V723 PolarHBondContact N-O 3.17Å; M697-I724 HydrophobicContact CB-CG1 4.19Å; M697-I724 WeakPolarHBondContact O-CA 3.36Å; M697-I724 HydrophobicContact SD-CD1 4.32Å; M697-I724 HydrophobicContact SD-CG1 4.05Å; M697-F725 PolarHBondContact O-N 3.06Å; M697-L760 HydrophobicContact CE-CD2 4.05Å; M697-L763 HydrophobicContact CE-CD2 3.62Å; M697-L763 HydrophobicContact SD-CD2 4.31Å
698	V	94.1	Very high	94.3	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.012	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	128.8	-178	-176.9	0	0	0	0	107.3	W627 N632 F663 L696 S700 F725 L852	W627-V698 HydrophobicContact CE3-CG2 4.23Å; W627-V698 HydrophobicContact CH2-CB 3.46Å; W627-V698 VanDerWaalsContact CH2-CB 3.46Å; W627-V698 HydrophobicContact CH2-CG1 4.02Å; W627-V698 HydrophobicContact CH2-CG2 3.77Å; W627-V698 HydrophobicContact CZ2-CB 4.35Å; W627-V698 HydrophobicContact CZ3-CB 3.63Å; W627-V698 HydrophobicContact CZ3-CG1 4.4Å; W627-V698 HydrophobicContact CZ3-CG2 3.35Å; N632-V698 PolarHBondContact ND2-O 3.11Å; F663-V698 HydrophobicContact CE1-CG1 3.7Å; F663-V698 HydrophobicContact CZ-CG1 3.74Å; L696-V698 HydrophobicContact CD1-CG2 3.84Å; L696-V698 HydrophobicContact CD2-CG2 4.37Å; L696-V698 HydrophobicContact CG-CG2 3.81Å; V698-S700 PolarHBondContact O-N 2.69Å; V698-F725 WeakPolarHBondContact CA-O 3.18Å; V698-F725 HydrophobicContact CB-CB 4.28Å; V698-F725 HydrophobicContact CG1-CB 3.96Å; V698-F725 HydrophobicContact CG2-CB 4.06Å; V698-F725 HydrophobicContact CG2-CD2 4.36Å; V698-F725 HydrophobicContact CG2-CG 4.49Å; V698-L852 HydrophobicContact CG1-CD1 4.18Å; V698-L852 HydrophobicContact CG2-CD1 4.18Å
699	D	91.4	Very high	94.3	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	10%	0.101	C	C	.	.	S	Bend	trans	47.8	57.1	177.4	-165.6	26.9	0	0	0	114.2	N632 E701 F725 G754	N632-D699 PolarHBondContact ND2-O 3.18Å; D699-E701 PolarHBondContact O-N 3.48Å; D699-F725 PolarHBondContact N-O 3.15Å; D699-G754 VanDerWaalsContact OD1-C 3.28Å
700	S	92.4	Very high	94.3	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.021	12%	0.119	C	C	.	.			trans	-77.2	122.1	179.7	173.2	0	0	0	0	110.9	H631 V698 Y704 N756	H631-S700 WeakPolarHBondContact CB-OG 3.41Å; V698-S700 PolarHBondContact O-N 2.69Å; S700-Y704 WeakPolarHBondContact CB-OH 3.48Å; S700-Y704 PolarHBondContact OG-OH 3.49Å; S700-N756 PolarHBondContact O-N 2.74Å
701	E	90.8	Very high	94.5	Very high	4 Å²	4	17.6 Å²	17.6	2%	0.019	10%	0.099	C	C	.	.			trans	-108.3	-12.4	-177.6	-56.9	168.5	111.8	0	0	113.3	H631 L633 F640 D699 T752 N756	H631-E701 PolarHBondContact O-N 2.74Å; L633-E701 WeakPolarHBondContact CA-OE2 3.34Å; L633-E701 HydrophobicContact CB-CB 4.22Å; L633-E701 VanDerWaalsContact CB-OE2 3.32Å; L633-E701 WeakPolarHBondContact CB-OE2 3.46Å; L633-E701 HydrophobicContact CD1-CB 3.77Å; L633-E701 HydrophobicContact CG-CB 3.83Å; L633-E701 PolarHBondContact N-OE2 3.04Å; F640-E701 WeakPolarHBondContact CB-OE1 3.39Å; D699-E701 PolarHBondContact O-N 3.48Å; E701-T752 HydrophobicContact CB-CG2 4.26Å; E701-T752 HydrophobicContact CG-CG2 4.42Å; E701-N756 VanDerWaalsContact O-CB 3.32Å; E701-N756 WeakPolarHBondContact O-CB 3.47Å; E701-N756 PolarHBondContact O-ND2 3.36Å
702	E	91.4	Very high	94.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.085	C	C	.	.	S	Bend	trans	-91.7	161.5	-176.9	-172.1	57.1	-82.6	0	0	113.3	H631 L633 S911 K912 V913	H631-E702 HydrophobicContact CB-CB 3.97Å; H631-E702 WeakPolarHBondContact O-CB 3.18Å; H631-E702 PolarHBondContact O-N 2.84Å; L633-E702 HydrophobicContact CD2-CB 4.19Å; L633-E702 HydrophobicContact CD2-CG 4.41Å; L633-E702 WeakPolarHBondContact CD2-OE2 3.41Å; L633-E702 HydrophobicContact CG-CB 4.46Å; E702-S911 WeakPolarHBondContact OE1-CA 3.5Å; E702-S911 VanDerWaalsContact OE1-CB 3.23Å; E702-S911 WeakPolarHBondContact OE1-CB 3.5Å; E702-S911 PolarHBondContact OE1-OG 2.86Å; E702-S911 VanDerWaalsContact OE2-CA 3.29Å; E702-S911 WeakPolarHBondContact OE2-CA 3.36Å; E702-K912 WeakPolarHBondContact OE2-CB 3.33Å; E702-K912 WeakPolarHBondContact OE2-CE 3.3Å; E702-K912 PolarHBondContact OE2-N 3.46Å; E702-V913 HydrophobicContact CG-CG2 4.12Å
703	E	93.3	Very high	94.5	Very high	10 Å²	10	20.5 Å²	20.5	5%	0.047	11%	0.107	C	C	.	.			trans	-79.5	167.3	169.5	-65	-73	172.1	0	0	112.3	H631 N756 A759 R901 L907 V913 L914	H631-E703 PolarHBondContact CD2-O 2.77Å; E703-N756 PolarHBondContact OE1-ND2 2.91Å; E703-A759 VanDerWaalsContact OE2-CB 3.26Å; E703-A759 WeakPolarHBondContact OE2-CB 3.49Å; E703-R901 IonicContact OE1-CZ 3.32Å; E703-R901 IonicContact OE1-NE 3.72Å; E703-R901 PolarHBondContact OE1-NE 3.14Å; E703-R901 IonicContact OE1-NH2 3.55Å; E703-R901 PolarHBondContact OE1-NH2 3.41Å; E703-R901 IonicContact OE2-CZ 3.93Å; E703-R901 IonicContact OE2-NE 2.7Å; E703-R901 IonicContact OE2-NH2 3.58Å; E703-R901 PolarHBondContact OE2-NH2 2.96Å; E703-L907 HydrophobicContact CG-CD2 4.23Å; E703-V913 HydrophobicContact CB-CB 3.95Å; E703-V913 HydrophobicContact CB-CG1 3.97Å; E703-V913 HydrophobicContact CB-CG2 4.47Å; E703-V913 VanDerWaalsContact O-CG2 3.25Å; E703-V913 WeakPolarHBondContact O-CG2 3.43Å; E703-L914 HydrophobicContact CB-CG 4.42Å; E703-L914 HydrophobicContact CG-CD1 3.77Å; E703-L914 HydrophobicContact CG-CD2 4.39Å; E703-L914 HydrophobicContact CG-CG 3.93Å
704	Y	94.6	Very high	94.5	Very high	14 Å²	14	27.4 Å²	27.4	6%	0.055	13%	0.132	C	C	.	.			trans	-116.3	141.3	179.5	-62.2	-85.6	0	0	0	111.4	H631 F684 M697 S700 A759 L760 L763	H631-Y704 HydrophobicContact CB-CE1 4.37Å; H631-Y704 AromaticContact CD2-CD1 3.61Å; H631-Y704 AromaticContact CD2-CE1 3.46Å; H631-Y704 VanDerWaalsContact CD2-CE1 3.46Å; H631-Y704 WeakPolarHBondContact CD2-CE1 3.21Å; H631-Y704 AromaticContact CE1-CD1 3.85Å; H631-Y704 AromaticContact CE1-CE1 3.7Å; H631-Y704 AromaticContact CG-CE1 3.63Å; H631-Y704 AromaticContact ND1-CE1 3.78Å; H631-Y704 AromaticContact NE2-CD1 3.36Å; H631-Y704 WeakPolarHBondContact NE2-CD1 3.47Å; H631-Y704 AromaticContact NE2-CE1 3.53Å; F684-Y704 AromaticContact CE2-CD1 3.98Å; F684-Y704 HydrophobicContact CE2-CD1 3.98Å; F684-Y704 AromaticContact CE2-CE1 3.7Å; F684-Y704 HydrophobicContact CE2-CE1 3.7Å; F684-Y704 AromaticContact CZ-CE1 3.97Å; F684-Y704 HydrophobicContact CZ-CE1 3.97Å; M697-Y704 HydrophobicContact CE-CE1 3.89Å; M697-Y704 WeakPolarHBondContact CE-OH 3.41Å; S700-Y704 WeakPolarHBondContact CB-OH 3.48Å; S700-Y704 PolarHBondContact OG-OH 3.49Å; Y704-A759 HydrophobicContact CD2-CB 4.15Å; Y704-A759 HydrophobicContact CE2-CB 4.23Å; Y704-L760 HydrophobicContact CE2-CD2 4.14Å; Y704-L760 WeakPolarHBondContact OH-CD2 3.49Å; Y704-L763 HydrophobicContact CD1-CD1 4.34Å; Y704-L763 HydrophobicContact CD1-CD2 4.28Å; Y704-L763 HydrophobicContact CD2-CB 4.12Å; Y704-L763 HydrophobicContact CD2-CD2 4.43Å; Y704-L763 HydrophobicContact CE1-CD2 3.91Å; Y704-L763 HydrophobicContact CE2-CB 4.34Å; Y704-L763 HydrophobicContact CE2-CD2 4.12Å; Y704-L763 HydrophobicContact CG-CB 4.49Å; Y704-L763 HydrophobicContact CG-CD1 4.34Å
705	F	94.8	Very high	94.5	Very high	1 Å²	1	28.6 Å²	28.6	0%	0.004	14%	0.138	C	C	.	.			trans	-70.2	143.6	170.3	-65.6	-76.3	0	0	0	110.4	E707 E708 I709 V913 R924 L926 P927	F705-E707 PolarHBondContact O-N 2.8Å; F705-E707 VanDerWaalsContact O-N 3.13Å; F705-E708 HydrophobicContact CB-CG 4.07Å; F705-E708 WeakPolarHBondContact CB-OE2 3.48Å; F705-E708 HydrophobicContact CD2-CG 4.46Å; F705-E708 WeakPolarHBondContact CD2-OE2 3.4Å; F705-E708 PolarHBondContact N-OE2 2.64Å; F705-E708 WeakPolarHBondContact O-CB 3.35Å; F705-E708 PolarHBondContact O-N 3.02Å; F705-I709 PolarHBondContact O-N 2.96Å; F705-V913 HydrophobicContact CD1-CG1 3.84Å; F705-V913 HydrophobicContact CD2-CG2 4.04Å; F705-V913 HydrophobicContact CE1-CB 4.22Å; F705-V913 HydrophobicContact CE1-CG1 3.79Å; F705-V913 HydrophobicContact CE1-CG2 4.29Å; F705-V913 HydrophobicContact CE2-CB 4.44Å; F705-V913 HydrophobicContact CE2-CG2 3.65Å; F705-V913 HydrophobicContact CG-CG1 4.21Å; F705-V913 HydrophobicContact CZ-CB 4.11Å; F705-V913 HydrophobicContact CZ-CG1 4.15Å; F705-V913 HydrophobicContact CZ-CG2 3.78Å; F705-R924 HydrophobicContact CE1-CB 4.41Å; F705-R924 VanDerWaalsContact CE1-O 3.27Å; F705-R924 WeakPolarHBondContact CE1-O 3.47Å; F705-L926 HydrophobicContact CB-CD1 3.97Å; F705-L926 HydrophobicContact CD1-CD1 4.37Å; F705-L926 HydrophobicContact CD2-CD1 3.5Å; F705-L926 VanDerWaalsContact CD2-CD1 3.5Å; F705-L926 HydrophobicContact CE2-CD1 4.04Å; F705-L926 HydrophobicContact CG-CD1 3.69Å; F705-P927 HydrophobicContact CE2-CG 4.35Å
706	P	92.5	Very high	94.5	Very high	75 Å²	75	28.6 Å²	28.6	49%	0.487	14%	0.138	S	C	.	.	H	α-helix	trans	-54.3	-34.6	175.1	-27.1	35.4	0	0	0	113.5	E708 I709 A710	P706-E708 VanDerWaalsContact C-N 3.32Å; P706-E708 PolarHBondContact O-N 3.31Å; P706-I709 PolarHBondContact O-N 3.42Å; P706-A710 PolarHBondContact O-N 3.26Å; P706-A710 VanDerWaalsContact O-N 3.13Å
707	E	94.9	Very high	94.3	Very high	95 Å²	95	31.3 Å²	31.3	44%	0.444	15%	0.153	S	C	.	.	H	α-helix	trans	-64.9	-34	175.9	-64.3	81.3	178.8	0	0	112.6	T685 F705 K711 L926	T685-E707 HydrophobicContact CG2-CB 4.1Å; F705-E707 PolarHBondContact O-N 2.8Å; F705-E707 VanDerWaalsContact O-N 3.13Å; E707-K711 WeakPolarHBondContact O-CB 3.47Å; E707-K711 PolarHBondContact O-N 3.28Å; E707-L926 HydrophobicContact CB-CD2 4.2Å; E707-L926 HydrophobicContact CG-CD2 4.34Å
708	E	95.6	Very high	94.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-68.5	-44.2	176	-69.3	179.4	110.4	0	0	111.2	H631 P683 F684 T685 F705 P706 A710 K711 L712	H631-E708 IonicContact CE1-OE1 3.28Å; H631-E708 PolarHBondContact CE1-OE1 3.4Å; H631-E708 IonicContact NE2-OE1 2.78Å; H631-E708 PolarHBondContact NE2-OE1 3.39Å; H631-E708 IonicContact NE2-OE2 3.79Å; P683-E708 WeakPolarHBondContact CA-OE1 3.44Å; P683-E708 HydrophobicContact CB-CG 4.23Å; P683-E708 VanDerWaalsContact CB-OE1 3.27Å; P683-E708 WeakPolarHBondContact CB-OE1 3.47Å; F684-E708 HydrophobicContact CB-CB 4.15Å; F684-E708 HydrophobicContact CB-CG 4.06Å; F684-E708 HydrophobicContact CD2-CB 4.18Å; F684-E708 PolarHBondContact N-OE1 3.15Å; T685-E708 HydrophobicContact CG2-CG 4.11Å; F705-E708 HydrophobicContact CB-CG 4.07Å; F705-E708 WeakPolarHBondContact CB-OE2 3.48Å; F705-E708 HydrophobicContact CD2-CG 4.46Å; F705-E708 WeakPolarHBondContact CD2-OE2 3.4Å; F705-E708 PolarHBondContact N-OE2 2.64Å; F705-E708 WeakPolarHBondContact O-CB 3.35Å; F705-E708 PolarHBondContact O-N 3.02Å; P706-E708 VanDerWaalsContact C-N 3.32Å; P706-E708 PolarHBondContact O-N 3.31Å; E708-A710 VanDerWaalsContact C-N 3.33Å; E708-A710 PolarHBondContact O-N 2.96Å; E708-K711 PolarHBondContact O-N 2.63Å; E708-L712 VanDerWaalsContact O-CB 3.28Å; E708-L712 WeakPolarHBondContact O-CB 3.5Å; E708-L712 PolarHBondContact O-N 3.07Å
709	I	95.1	Very high	94.1	Very high	20 Å²	20	37.7 Å²	37.7	10%	0.103	19%	0.188	C	C	.	.	H	α-helix	trans	-58	-48.6	176.9	-56.2	175.9	0	0	0	109.8	F705 P706 K711 R713 E762 L763 V766	F705-I709 PolarHBondContact O-N 2.96Å; P706-I709 PolarHBondContact O-N 3.42Å; I709-K711 VanDerWaalsContact C-N 3.33Å; I709-K711 PolarHBondContact O-N 3.18Å; I709-R713 WeakPolarHBondContact O-CB 3.35Å; I709-R713 PolarHBondContact O-N 3.06Å; I709-E762 HydrophobicContact CD1-CG 4.16Å; I709-L763 HydrophobicContact CB-CD1 4.25Å; I709-L763 HydrophobicContact CG1-CD1 3.77Å; I709-L763 HydrophobicContact CG2-CD1 4.42Å; I709-V766 HydrophobicContact CG2-CG1 3.71Å
710	A	95.3	Very high	94.4	Very high	52 Å²	52	37.7 Å²	37.7	43%	0.43	19%	0.188	S	C	.	.	H	α-helix	trans	-65.4	-34.6	178.8	0	0	0	0	0	113	P706 E708 R714	P706-A710 PolarHBondContact O-N 3.26Å; P706-A710 VanDerWaalsContact O-N 3.13Å; E708-A710 VanDerWaalsContact C-N 3.33Å; E708-A710 PolarHBondContact O-N 2.96Å; A710-R714 WeakPolarHBondContact O-CG 3.41Å; A710-R714 PolarHBondContact O-N 2.96Å; A710-R714 PolarHBondContact O-NE 3.49Å
711	K	95.7	Very high	94.6	Very high	20 Å²	20	37.7 Å²	37.7	9%	0.087	19%	0.189	C	C	.	.	H	α-helix	trans	-73.9	-46.5	178.1	-171.4	-97.7	-175.5	-167.2	0	111.3	F684 T685 F687 E707 E708 I709 R713 R714 D715	F684-K711 WeakPolarHBondContact O-CD 3.49Å; F684-K711 WeakPolarHBondContact O-CE 3.42Å; F684-K711 PolarHBondContact O-NZ 3.27Å; T685-K711 HydrophobicContact CG2-CB 4.36Å; F687-K711 PolarHBondContact O-NZ 3Å; E707-K711 WeakPolarHBondContact O-CB 3.47Å; E707-K711 PolarHBondContact O-N 3.28Å; E708-K711 PolarHBondContact O-N 2.63Å; I709-K711 VanDerWaalsContact C-N 3.33Å; I709-K711 PolarHBondContact O-N 3.18Å; K711-R713 VanDerWaalsContact C-N 3.32Å; K711-R713 PolarHBondContact O-N 2.89Å; K711-R714 PolarHBondContact O-N 3.13Å; K711-R714 VanDerWaalsContact O-N 3.17Å; K711-D715 WeakPolarHBondContact CD-OD2 3.49Å; K711-D715 WeakPolarHBondContact CE-OD2 3.49Å; K711-D715 IonicContact NZ-OD2 3.74Å; K711-D715 PolarHBondContact NZ-OD2 3.35Å; K711-D715 PolarHBondContact O-N 2.89Å
712	L	96.3	Very high	94.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.3	-42.6	178.5	-172.1	66.6	0	0	0	111.5	F684 L695 E708 R714 D715 V716 L720 L722 L763 W767	F684-L712 HydrophobicContact CD2-CB 4.43Å; F684-L712 HydrophobicContact CD2-CD1 4.38Å; F684-L712 HydrophobicContact CD2-CD2 4.23Å; F684-L712 HydrophobicContact CE2-CD2 4.09Å; L695-L712 HydrophobicContact CD2-CD1 3.84Å; E708-L712 VanDerWaalsContact O-CB 3.28Å; E708-L712 WeakPolarHBondContact O-CB 3.5Å; E708-L712 PolarHBondContact O-N 3.07Å; L712-R714 VanDerWaalsContact C-N 3.35Å; L712-R714 PolarHBondContact O-N 2.84Å; L712-D715 PolarHBondContact O-N 3.18Å; L712-V716 HydrophobicContact CD1-CG2 4.46Å; L712-V716 HydrophobicContact CG-CG2 4.39Å; L712-V716 WeakPolarHBondContact O-CB 3.4Å; L712-V716 VanDerWaalsContact O-CG2 3.29Å; L712-V716 WeakPolarHBondContact O-CG2 3.47Å; L712-V716 PolarHBondContact O-N 3.48Å; L712-L720 HydrophobicContact CD1-CD2 4.07Å; L712-L722 HydrophobicContact CD1-CD2 3.82Å; L712-L722 HydrophobicContact CD2-CD1 4.04Å; L712-L722 HydrophobicContact CD2-CD2 4.39Å; L712-L722 HydrophobicContact CG-CD1 4.3Å; L712-L722 HydrophobicContact CG-CD2 4.43Å; L712-L763 HydrophobicContact CD2-CD1 3.74Å; L712-L763 HydrophobicContact CD2-CD2 4.01Å; L712-L763 HydrophobicContact CD2-CG 4.11Å; L712-W767 HydrophobicContact CD2-CH2 4.18Å; L712-W767 HydrophobicContact CG-CH2 4.21Å
713	R	94.9	Very high	95.2	Very high	125 Å²	125	37.5 Å²	37.5	47%	0.472	19%	0.188	S	C	.	.	H	α-helix	trans	-53.5	-51.3	174	-178.7	179.8	175	171.7	2	112	I709 K711 D715 V716 D717 V766 W767	I709-R713 WeakPolarHBondContact O-CB 3.35Å; I709-R713 PolarHBondContact O-N 3.06Å; K711-R713 VanDerWaalsContact C-N 3.32Å; K711-R713 PolarHBondContact O-N 2.89Å; R713-D715 VanDerWaalsContact C-N 3.32Å; R713-D715 PolarHBondContact O-N 3.49Å; R713-V716 PolarHBondContact O-N 2.77Å; R713-D717 VanDerWaalsContact O-CG 3.28Å; R713-D717 PolarHBondContact O-N 2.72Å; R713-V766 HydrophobicContact CB-CG2 4.49Å; R713-W767 HydrophobicContact CB-CZ2 4.47Å
714	R	94.7	Very high	95.4	Very high	151 Å²	151	37.1 Å²	37.1	57%	0.57	19%	0.186	S	C	*	.	H	α-helix	trans	-61.9	-40.1	179.2	-71.6	-177.5	-68.5	155.7	-1.1	112.1	A710 K711 L712 D717 N718	A710-R714 WeakPolarHBondContact O-CG 3.41Å; A710-R714 PolarHBondContact O-N 2.96Å; A710-R714 PolarHBondContact O-NE 3.49Å; K711-R714 PolarHBondContact O-N 3.13Å; K711-R714 VanDerWaalsContact O-N 3.17Å; L712-R714 VanDerWaalsContact C-N 3.35Å; L712-R714 PolarHBondContact O-N 2.84Å; R714-D717 PolarHBondContact O-N 3.28Å; R714-N718 WeakPolarHBondContact O-CB 3.48Å; R714-N718 VanDerWaalsContact O-CG 3.23Å; R714-N718 PolarHBondContact O-N 2.89Å; R714-N718 PolarHBondContact O-ND2 3.17Å
715	D	96.3	Very high	95.5	Very high	26 Å²	26	36.5 Å²	36.5	14%	0.139	18%	0.183	C	C	.	.	H	α-helix	trans	-67.8	-38.5	-179.5	-70.6	-14.7	0	0	0	112.4	A689 K711 L712 R713 N718 G719 L720	A689-D715 HydrophobicContact CB-CB 3.55Å; A689-D715 VanDerWaalsContact CB-OD2 3.31Å; A689-D715 WeakPolarHBondContact CB-OD2 3.43Å; K711-D715 WeakPolarHBondContact CD-OD2 3.49Å; K711-D715 WeakPolarHBondContact CE-OD2 3.49Å; K711-D715 IonicContact NZ-OD2 3.74Å; K711-D715 PolarHBondContact NZ-OD2 3.35Å; K711-D715 PolarHBondContact O-N 2.89Å; L712-D715 PolarHBondContact O-N 3.18Å; R713-D715 VanDerWaalsContact C-N 3.32Å; R713-D715 PolarHBondContact O-N 3.49Å; D715-N718 CarbonylContact O-C 3.34Å; D715-N718 WeakPolarHBondContact O-CA 3.46Å; D715-N718 PolarHBondContact O-N 2.8Å; D715-G719 PolarHBondContact O-N 3.35Å; D715-L720 HydrophobicContact CB-CB 4.14Å; D715-L720 HydrophobicContact CB-CD2 3.92Å; D715-L720 VanDerWaalsContact O-CB 3.26Å; D715-L720 WeakPolarHBondContact O-CB 3.26Å; D715-L720 PolarHBondContact O-N 2.89Å
716	V	96.1	Very high	95.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-68.1	-41.7	175.8	169.5	0	0	0	0	111.1	L712 R713 N718 G719 L720 L722 W767 I835 G841 I843	L712-V716 HydrophobicContact CD1-CG2 4.46Å; L712-V716 HydrophobicContact CG-CG2 4.39Å; L712-V716 WeakPolarHBondContact O-CB 3.4Å; L712-V716 VanDerWaalsContact O-CG2 3.29Å; L712-V716 WeakPolarHBondContact O-CG2 3.47Å; L712-V716 PolarHBondContact O-N 3.48Å; R713-V716 PolarHBondContact O-N 2.77Å; V716-N718 PolarHBondContact O-N 2.87Å; V716-G719 PolarHBondContact O-N 3.37Å; V716-L720 WeakPolarHBondContact CA-O 3.39Å; V716-L722 HydrophobicContact CG2-CD1 3.59Å; V716-L722 HydrophobicContact CG2-CD2 4.2Å; V716-L722 HydrophobicContact CG2-CG 3.72Å; V716-W767 HydrophobicContact CB-CZ2 3.78Å; V716-W767 HydrophobicContact CG1-CZ2 3.83Å; V716-W767 HydrophobicContact CG2-CH2 4.19Å; V716-W767 HydrophobicContact CG2-CZ2 3.84Å; V716-I835 HydrophobicContact CG1-CD1 4.03Å; V716-I835 HydrophobicContact CG1-CG1 3.68Å; V716-G841 WeakPolarHBondContact O-CA 3.48Å; V716-G841 PolarHBondContact O-N 3.24Å; V716-I843 HydrophobicContact CG1-CD1 4.14Å; V716-I843 HydrophobicContact CG1-CG1 4.23Å
717	D	93.9	Very high	95.4	Very high	57 Å²	57	32.9 Å²	32.9	31%	0.305	16%	0.16	S	C	.	.	H	α-helix	trans	-60.2	-31.8	172.2	-68.5	-20.7	0	0	0	111.4	R713 R714 G719	R713-D717 VanDerWaalsContact O-CG 3.28Å; R713-D717 PolarHBondContact O-N 2.72Å; R714-D717 PolarHBondContact O-N 3.28Å; D717-G719 VanDerWaalsContact C-N 3.3Å; D717-G719 PolarHBondContact O-N 3.09Å
718	N	93.4	Very high	95.3	Very high	130 Å²	130	28.4 Å²	28.4	70%	0.695	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	12.8	175.1	-67.8	-37.1	0	0	0	114.4	R714 D715 V716	R714-N718 WeakPolarHBondContact O-CB 3.48Å; R714-N718 VanDerWaalsContact O-CG 3.23Å; R714-N718 PolarHBondContact O-N 2.89Å; R714-N718 PolarHBondContact O-ND2 3.17Å; D715-N718 CarbonylContact O-C 3.34Å; D715-N718 WeakPolarHBondContact O-CA 3.46Å; D715-N718 PolarHBondContact O-N 2.8Å; V716-N718 PolarHBondContact O-N 2.87Å
719	G	93.5	Very high	95.2	Very high	7 Å²	7	28.5 Å²	28.5	7%	0.072	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.8	9	169.3	0	0	0	0	0	116.3	R621 D715 V716 D717 G839	R621-G719 PolarHBondContact NH1-O 2.93Å; R621-G719 PolarHBondContact NH2-O 2.84Å; D715-G719 PolarHBondContact O-N 3.35Å; V716-G719 PolarHBondContact O-N 3.37Å; D717-G719 VanDerWaalsContact C-N 3.3Å; D717-G719 PolarHBondContact O-N 3.09Å; G719-G839 WeakPolarHBondContact CA-O 3.47Å
720	L	96.2	Very high	95.1	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	14%	0.139	C	C	.	.			trans	-70.1	131.2	166.1	-178.9	68.3	0	0	0	109.6	F687 A689 L695 L712 D715 V716 L722 G841	F687-L720 HydrophobicContact CE2-CD2 4.36Å; F687-L720 HydrophobicContact CZ-CD2 4.18Å; A689-L720 HydrophobicContact CB-CB 4.26Å; A689-L720 HydrophobicContact CB-CD1 4.38Å; A689-L720 HydrophobicContact CB-CD2 3.96Å; A689-L720 HydrophobicContact CB-CG 4.43Å; L695-L720 HydrophobicContact CB-CD1 4.41Å; L695-L720 HydrophobicContact CB-CD2 4.29Å; L712-L720 HydrophobicContact CD1-CD2 4.07Å; D715-L720 HydrophobicContact CB-CB 4.14Å; D715-L720 HydrophobicContact CB-CD2 3.92Å; D715-L720 VanDerWaalsContact O-CB 3.26Å; D715-L720 WeakPolarHBondContact O-CB 3.26Å; D715-L720 PolarHBondContact O-N 2.89Å; V716-L720 WeakPolarHBondContact CA-O 3.39Å; L720-L722 HydrophobicContact CD2-CD2 4.48Å; L720-G841 WeakPolarHBondContact O-CA 3.25Å
721	S	97.1	Very high	94.9	Very high	4 Å²	4	27.6 Å²	27.6	3%	0.028	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	151.3	173.8	-60.1	0	0	0	0	111.9	G693 T694 L695 R842 T872	G693-S721 WeakPolarHBondContact O-CB 3.18Å; G693-S721 PolarHBondContact O-N 3.28Å; T694-S721 CarbonylContact C-O 3.56Å; T694-S721 WeakPolarHBondContact CA-O 3.28Å; L695-S721 PolarHBondContact N-O 3.25Å; S721-R842 CarbonylContact C-O 3.6Å; S721-R842 WeakPolarHBondContact CA-O 3.47Å; S721-R842 VanDerWaalsContact CB-O 3.29Å; S721-R842 WeakPolarHBondContact CB-O 3.44Å; S721-R842 PolarHBondContact OG-N 3.29Å; S721-T872 PolarHBondContact OG-O 3.34Å
722	L	96.9	Very high	94.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134.4	178.9	-59.3	176.6	0	0	0	110.6	L695 L712 V716 L720 W767 R842 I843 V844	L695-L722 HydrophobicContact CB-CD2 3.89Å; L695-L722 HydrophobicContact CD2-CD2 3.8Å; L695-L722 HydrophobicContact CG-CD2 4.2Å; L695-L722 WeakPolarHBondContact O-CA 3.49Å; L712-L722 HydrophobicContact CD1-CD2 3.82Å; L712-L722 HydrophobicContact CD2-CD1 4.04Å; L712-L722 HydrophobicContact CD2-CD2 4.39Å; L712-L722 HydrophobicContact CG-CD1 4.3Å; L712-L722 HydrophobicContact CG-CD2 4.43Å; V716-L722 HydrophobicContact CG2-CD1 3.59Å; V716-L722 HydrophobicContact CG2-CD2 4.2Å; V716-L722 HydrophobicContact CG2-CG 3.72Å; L720-L722 HydrophobicContact CD2-CD2 4.48Å; L722-W767 HydrophobicContact CD1-CH2 3.74Å; L722-W767 HydrophobicContact CD1-CZ2 4.4Å; L722-W767 HydrophobicContact CD1-CZ3 4.09Å; L722-R842 PolarHBondContact N-O 3.43Å; L722-I843 HydrophobicContact CB-CG1 4.41Å; L722-I843 HydrophobicContact CB-CG2 4.36Å; L722-I843 HydrophobicContact CD1-CD1 4.42Å; L722-I843 HydrophobicContact CD1-CG1 4.31Å; L722-I843 CarbonylContact O-C 3.56Å; L722-I843 WeakPolarHBondContact O-CA 3.3Å; L722-V844 PolarHBondContact O-N 2.91Å
723	V	97.6	Very high	94.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	118.1	166.7	-179.5	0	0	0	0	107.3	T694 L695 L696 M697 F725 V844 L868 T872	T694-V723 HydrophobicContact CG2-CB 4.34Å; T694-V723 HydrophobicContact CG2-CG2 3.67Å; L695-V723 PolarHBondContact O-N 3.45Å; L696-V723 HydrophobicContact CD1-CB 3.83Å; L696-V723 HydrophobicContact CD1-CG1 3.74Å; M697-V723 PolarHBondContact N-O 3.17Å; V723-F725 HydrophobicContact CG1-CD2 3.83Å; V723-F725 HydrophobicContact CG1-CE2 3.51Å; V723-V844 HydrophobicContact CG1-CB 4.49Å; V723-V844 HydrophobicContact CG2-CB 4.33Å; V723-V844 HydrophobicContact CG2-CG2 4.48Å; V723-L868 HydrophobicContact CG1-CD1 4.22Å; V723-T872 HydrophobicContact CG2-CG2 3.63Å
724	I	97.7	Very high	94.2	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	114.6	-177.1	-59.2	166.8	0	0	0	107.8	M697 L760 L764 F771 V844 L845 Y846	M697-I724 HydrophobicContact CB-CG1 4.19Å; M697-I724 WeakPolarHBondContact O-CA 3.36Å; M697-I724 HydrophobicContact SD-CD1 4.32Å; M697-I724 HydrophobicContact SD-CG1 4.05Å; I724-L760 HydrophobicContact CG2-CD2 4.43Å; I724-L764 HydrophobicContact CD1-CD1 4.42Å; I724-L764 HydrophobicContact CD1-CD2 3.68Å; I724-L764 HydrophobicContact CD1-CG 4.35Å; I724-F771 HydrophobicContact CG2-CE2 4.26Å; I724-F771 HydrophobicContact CG2-CZ 4.37Å; I724-V844 PolarHBondContact N-O 2.88Å; I724-L845 HydrophobicContact CB-CD2 3.96Å; I724-L845 HydrophobicContact CD1-CD2 3.74Å; I724-L845 HydrophobicContact CG1-CD2 4.33Å; I724-Y846 PolarHBondContact O-N 2.9Å
725	F	96.3	Very high	93.9	Very high	1 Å²	1	21.9 Å²	21.9	0%	0.004	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	134.1	162.4	-74.3	-105.9	0	0	0	107.2	L696 M697 V698 D699 V723 Y846 D848 L852 L865 L868	L696-F725 HydrophobicContact CD1-CD2 4.16Å; L696-F725 HydrophobicContact CD1-CE2 4.41Å; M697-F725 PolarHBondContact O-N 3.06Å; V698-F725 WeakPolarHBondContact CA-O 3.18Å; V698-F725 HydrophobicContact CB-CB 4.28Å; V698-F725 HydrophobicContact CG1-CB 3.96Å; V698-F725 HydrophobicContact CG2-CB 4.06Å; V698-F725 HydrophobicContact CG2-CD2 4.36Å; V698-F725 HydrophobicContact CG2-CG 4.49Å; D699-F725 PolarHBondContact N-O 3.15Å; V723-F725 HydrophobicContact CG1-CD2 3.83Å; V723-F725 HydrophobicContact CG1-CE2 3.51Å; F725-Y846 WeakPolarHBondContact CA-O 3.47Å; F725-Y846 AromaticContact CD1-CD1 3.47Å; F725-Y846 HydrophobicContact CD1-CD1 3.47Å; F725-Y846 VanDerWaalsContact CD1-CD1 3.47Å; F725-Y846 HydrophobicContact CD1-CE1 4.25Å; F725-Y846 HydrophobicContact CD1-CG 4.32Å; F725-Y846 AromaticContact CE1-CD1 3.41Å; F725-Y846 HydrophobicContact CE1-CD1 3.41Å; F725-Y846 VanDerWaalsContact CE1-CD1 3.41Å; F725-Y846 HydrophobicContact CE1-CE1 4.03Å; F725-Y846 HydrophobicContact CE1-CG 4.13Å; F725-Y846 HydrophobicContact CG-CD1 4.48Å; F725-Y846 HydrophobicContact CZ-CD1 4.41Å; F725-D848 WeakPolarHBondContact CD1-O 3.45Å; F725-L852 HydrophobicContact CB-CD1 4.28Å; F725-L852 HydrophobicContact CD1-CD1 3.54Å; F725-L852 HydrophobicContact CD1-CG 4.13Å; F725-L852 HydrophobicContact CD2-CD1 3.85Å; F725-L852 HydrophobicContact CE1-CD1 3.75Å; F725-L852 HydrophobicContact CE1-CD2 4.46Å; F725-L852 HydrophobicContact CE1-CG 4.09Å; F725-L852 HydrophobicContact CE2-CD1 4.01Å; F725-L852 HydrophobicContact CG-CD1 3.63Å; F725-L852 HydrophobicContact CZ-CD1 3.98Å; F725-L865 HydrophobicContact CE2-CD1 3.94Å; F725-L865 HydrophobicContact CZ-CD1 4.31Å; F725-L868 HydrophobicContact CE2-CD1 3.98Å; F725-L868 HydrophobicContact CZ-CD1 3.78Å
726	S	93.6	Very high	93.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.128	C	C	.	.			trans	-136.9	166.3	-173.8	-165.5	0	0	0	0	109.4	I757 L760 Y846 G847 D848 S849	S726-I757 WeakPolarHBondContact OG-CD1 3.44Å; S726-L760 WeakPolarHBondContact OG-CD1 2.7Å; S726-Y846 PolarHBondContact N-O 2.86Å; S726-G847 CarbonylContact O-C 3.57Å; S726-G847 VanDerWaalsContact O-O 3.07Å; S726-D848 CarbonylContact O-C 3.31Å; S726-D848 WeakPolarHBondContact O-CA 3.2Å; S726-D848 PolarHBondContact O-N 3.2Å; S726-S849 PolarHBondContact O-N 2.67Å
727	D	92.9	Very high	92.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.137	C	C	.	.			trans	-122.7	-165.2	173.9	-74.3	-68.1	0	0	0	111.7	A755 I757 C793 S849	D727-A755 HydrophobicContact CB-CB 4.19Å; D727-I757 VanDerWaalsContact O-CD1 3.3Å; D727-I757 WeakPolarHBondContact O-CD1 3.22Å; D727-C793 PolarHBondContact O-SG 3.42Å; D727-S849 PolarHBondContact OD1-N 2.73Å; D727-S849 VanDerWaalsContact OD1-N 3.09Å; D727-S849 WeakPolarHBondContact OD2-CB 3.4Å; D727-S849 PolarHBondContact OD2-OG 3.03Å
728	W	92.6	Very high	92.3	Very high	1 Å²	1	27.9 Å²	27.9	0%	0.004	14%	0.14	C	C	.	.			trans	-75.8	151	-176.1	62.3	-76.9	0	0	0	114	P641 R642 D643 L645 V733 M734 V737 G753 G754 L775 S791	P641-W728 HydrophobicContact CB-CH2 4.35Å; P641-W728 HydrophobicContact CB-CZ2 3.85Å; P641-W728 HydrophobicContact CG-CH2 3.9Å; P641-W728 HydrophobicContact CG-CZ2 3.57Å; R642-W728 PolarHBondContact O-NE1 2.8Å; R642-W728 VanDerWaalsContact O-NE1 3.15Å; D643-W728 PolarHBondContact O-NE1 3.16Å; L645-W728 HydrophobicContact CD1-CD2 3.93Å; L645-W728 HydrophobicContact CD1-CE3 4.22Å; L645-W728 HydrophobicContact CD1-CG 4.35Å; L645-W728 HydrophobicContact CD1-CZ2 4.27Å; L645-W728 HydrophobicContact CD2-CH2 4.04Å; L645-W728 HydrophobicContact CD2-CZ2 3.52Å; L645-W728 HydrophobicContact CG-CD2 4.36Å; L645-W728 HydrophobicContact CG-CZ2 4.09Å; W728-V733 HydrophobicContact CE3-CG1 4.37Å; W728-V733 HydrophobicContact CH2-CG1 4.32Å; W728-V733 HydrophobicContact CZ3-CB 4.17Å; W728-V733 HydrophobicContact CZ3-CG1 3.81Å; W728-M734 HydrophobicContact CH2-CG 4.03Å; W728-M734 HydrophobicContact CZ3-CG 3.71Å; W728-V737 HydrophobicContact CH2-CG2 4.18Å; W728-G753 CarbonylContact O-C 3.27Å; W728-G753 WeakPolarHBondContact O-CA 3.1Å; W728-G754 PolarHBondContact O-N 2.92Å; W728-L775 HydrophobicContact CB-CD1 3.29Å; W728-L775 HydrophobicContact CD2-CD1 4.44Å; W728-L775 HydrophobicContact CG-CD1 3.8Å; W728-S791 VanDerWaalsContact CB-O 3.24Å; W728-S791 WeakPolarHBondContact CB-O 3.24Å
729	Y	93.3	Very high	91.4	Very high	3 Å²	3	24.3 Å²	24.3	1%	0.012	12%	0.118	C	C	.	.			trans	-146	114.2	163	-168.8	-77.6	0	0	0	109.3	T731 M734 G753 A755 I757 P758 P899 E900 M902	Y729-T731 HydrophobicContact CE1-CG2 3.95Å; Y729-M734 HydrophobicContact CD1-SD 4.25Å; Y729-M734 HydrophobicContact CD2-SD 4.27Å; Y729-M734 HydrophobicContact CE1-SD 4.02Å; Y729-M734 HydrophobicContact CE2-CE 4.22Å; Y729-M734 HydrophobicContact CE2-SD 4.07Å; Y729-M734 HydrophobicContact CG-SD 4.37Å; Y729-G753 VanDerWaalsContact CD2-N 3.33Å; Y729-A755 VanDerWaalsContact CD2-O 3.32Å; Y729-A755 WeakPolarHBondContact CD2-O 3.45Å; Y729-I757 VanDerWaalsContact CB-CG1 3.41Å; Y729-I757 HydrophobicContact CG-CB 4.23Å; Y729-I757 HydrophobicContact CG-CG1 4.46Å; Y729-P758 HydrophobicContact CD1-CG 3.96Å; Y729-P758 HydrophobicContact CD2-CG 4.42Å; Y729-P758 HydrophobicContact CE1-CG 3.6Å; Y729-P758 HydrophobicContact CE2-CG 4.09Å; Y729-P758 HydrophobicContact CG-CG 4.36Å; Y729-P899 HydrophobicContact CD1-CB 3.69Å; Y729-P899 HydrophobicContact CD1-CG 4.49Å; Y729-P899 HydrophobicContact CE1-CB 4.32Å; Y729-E900 WeakPolarHBondContact CE1-O 3.46Å; Y729-M902 PolarHBondContact OH-N 2.93Å
730	N	92.9	Very high	89.9	Confident	16 Å²	16	28.3 Å²	28.3	9%	0.086	13%	0.132	C	C	.	.			trans	-145.3	114.1	176.6	-174.5	-63	0	0	0	110	S732 V733 M734 D773	N730-S732 VanDerWaalsContact C-N 3.25Å; N730-S732 PolarHBondContact O-N 3.13Å; N730-S732 WeakPolarHBondContact OD1-CB 3.23Å; N730-S732 PolarHBondContact OD1-N 2.9Å; N730-V733 HydrophobicContact CB-CB 4.05Å; N730-V733 HydrophobicContact CB-CG2 4.01Å; N730-V733 PolarHBondContact O-N 2.88Å; N730-V733 VanDerWaalsContact O-N 3.11Å; N730-V733 PolarHBondContact OD1-N 2.81Å; N730-V733 VanDerWaalsContact OD1-N 3.1Å; N730-M734 WeakPolarHBondContact O-CB 3.17Å; N730-M734 VanDerWaalsContact O-CG 3.23Å; N730-M734 WeakPolarHBondContact O-CG 3.26Å; N730-M734 PolarHBondContact O-N 2.93Å; N730-D773 PolarHBondContact ND2-O 2.89Å
731	T	91.6	Very high	88	Confident	36 Å²	36	28.8 Å²	28.8	22%	0.221	13%	0.134	C	C	.	.	H	α-helix	trans	-61.5	-32.3	-174.1	59.2	0	0	0	0	113	Y729 R735 E900 M902	Y729-T731 HydrophobicContact CE1-CG2 3.95Å; T731-R735 WeakPolarHBondContact O-CB 3.43Å; T731-R735 VanDerWaalsContact O-CG 3.23Å; T731-R735 WeakPolarHBondContact O-CG 3.31Å; T731-R735 PolarHBondContact O-N 3.34Å; T731-E900 VanDerWaalsContact CG2-O 3.3Å; T731-E900 WeakPolarHBondContact CG2-O 3.34Å; T731-M902 HydrophobicContact CG2-CB 4.19Å
732	S	91	Very high	85.4	Confident	54 Å²	54	35.5 Å²	35.5	38%	0.378	17%	0.165	S	C	.	.	H	α-helix	trans	-70	-43	176.9	-64	0	0	0	0	111.2	N730 K736	N730-S732 VanDerWaalsContact C-N 3.25Å; N730-S732 PolarHBondContact O-N 3.13Å; N730-S732 WeakPolarHBondContact OD1-CB 3.23Å; N730-S732 PolarHBondContact OD1-N 2.9Å; S732-K736 PolarHBondContact O-N 3.23Å
733	V	90	Very high	82.8	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-66.4	-46	175.4	176	0	0	0	0	110.5	L645 W728 N730 R735 K736 V737 L775 V816 L817	L645-V733 HydrophobicContact CD1-CG1 3.93Å; W728-V733 HydrophobicContact CE3-CG1 4.37Å; W728-V733 HydrophobicContact CH2-CG1 4.32Å; W728-V733 HydrophobicContact CZ3-CB 4.17Å; W728-V733 HydrophobicContact CZ3-CG1 3.81Å; N730-V733 HydrophobicContact CB-CB 4.05Å; N730-V733 HydrophobicContact CB-CG2 4.01Å; N730-V733 PolarHBondContact O-N 2.88Å; N730-V733 VanDerWaalsContact O-N 3.11Å; N730-V733 PolarHBondContact OD1-N 2.81Å; N730-V733 VanDerWaalsContact OD1-N 3.1Å; V733-R735 VanDerWaalsContact C-N 3.3Å; V733-R735 PolarHBondContact O-N 2.83Å; V733-K736 CarbonylContact O-C 3.49Å; V733-K736 WeakPolarHBondContact O-CA 3.4Å; V733-K736 WeakPolarHBondContact O-CB 3.35Å; V733-K736 PolarHBondContact O-N 3.12Å; V733-V737 HydrophobicContact CG1-CG1 4.03Å; V733-V737 WeakPolarHBondContact O-CG2 3.3Å; V733-V737 PolarHBondContact O-N 3.36Å; V733-L775 HydrophobicContact CG1-CD2 4.35Å; V733-L775 HydrophobicContact CG2-CD2 4.09Å; V733-V816 HydrophobicContact CG1-CG1 4.09Å; V733-L817 HydrophobicContact CG2-CD1 4.35Å; V733-L817 HydrophobicContact CG2-CG 4.22Å
734	M	89.7	Confident	80.4	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-52.7	-46.3	175.7	-70.1	166.5	68.6	0	0	111.7	W728 Y729 N730 K736 V737 K738 P750 T752 M902	W728-M734 HydrophobicContact CH2-CG 4.03Å; W728-M734 HydrophobicContact CZ3-CG 3.71Å; Y729-M734 HydrophobicContact CD1-SD 4.25Å; Y729-M734 HydrophobicContact CD2-SD 4.27Å; Y729-M734 HydrophobicContact CE1-SD 4.02Å; Y729-M734 HydrophobicContact CE2-CE 4.22Å; Y729-M734 HydrophobicContact CE2-SD 4.07Å; Y729-M734 HydrophobicContact CG-SD 4.37Å; N730-M734 WeakPolarHBondContact O-CB 3.17Å; N730-M734 VanDerWaalsContact O-CG 3.23Å; N730-M734 WeakPolarHBondContact O-CG 3.26Å; N730-M734 PolarHBondContact O-N 2.93Å; M734-K736 PolarHBondContact O-N 3.14Å; M734-V737 PolarHBondContact O-N 2.96Å; M734-K738 PolarHBondContact O-N 2.76Å; M734-P750 HydrophobicContact CB-CB 4.27Å; M734-P750 HydrophobicContact CB-CG 4.16Å; M734-P750 HydrophobicContact CE-CB 4.03Å; M734-P750 HydrophobicContact CG-CB 4.26Å; M734-P750 WeakPolarHBondContact O-CD 2.99Å; M734-T752 VanDerWaalsContact CE-C 3.49Å; M734-T752 WeakPolarHBondContact CE-O 3.41Å; M734-M902 HydrophobicContact CB-SD 4.19Å; M734-M902 HydrophobicContact CE-CB 4.27Å; M734-M902 HydrophobicContact CE-SD 3.96Å
735	R	88.7	Confident	77.7	Confident	122 Å²	122	42.6 Å²	42.6	46%	0.46	20%	0.195	S	C	.	.	H	α-helix	trans	-64	-22	175.2	-73.6	172.6	-170.1	159.1	1.1	113.9	T731 V733 K738 M902	T731-R735 WeakPolarHBondContact O-CB 3.43Å; T731-R735 VanDerWaalsContact O-CG 3.23Å; T731-R735 WeakPolarHBondContact O-CG 3.31Å; T731-R735 PolarHBondContact O-N 3.34Å; V733-R735 VanDerWaalsContact C-N 3.3Å; V733-R735 PolarHBondContact O-N 2.83Å; R735-K738 WeakPolarHBondContact O-CD 3.45Å; R735-K738 WeakPolarHBondContact O-CE 3.45Å; R735-K738 WeakPolarHBondContact O-CG 3.28Å; R735-M902 HydrophobicContact CG-CE 3.66Å; R735-M902 HydrophobicContact CG-SD 4.35Å
736	K	87.1	Confident	75.9	Confident	97 Å²	97	48.6 Å²	48.6	42%	0.422	22%	0.223	S	C	.	.	H	α-helix	trans	-92.2	-35.1	178.9	-170.3	166.2	-173.8	175.1	0	113	S732 V733 M734 K738 V816 L817	S732-K736 PolarHBondContact O-N 3.23Å; V733-K736 CarbonylContact O-C 3.49Å; V733-K736 WeakPolarHBondContact O-CA 3.4Å; V733-K736 WeakPolarHBondContact O-CB 3.35Å; V733-K736 PolarHBondContact O-N 3.12Å; M734-K736 PolarHBondContact O-N 3.14Å; K736-K738 PolarHBondContact O-N 3.21Å; K736-V816 HydrophobicContact CD-CG1 4.19Å; K736-V816 WeakPolarHBondContact CD-O 3.3Å; K736-V816 WeakPolarHBondContact CE-O 3.15Å; K736-V816 PolarHBondContact NZ-O 3.04Å; K736-L817 HydrophobicContact CB-CD2 4.28Å; K736-L817 HydrophobicContact CD-CD2 4.02Å; K736-L817 VanDerWaalsContact NZ-C 3.31Å; K736-L817 PolarHBondContact NZ-O 2.91Å
737	V	84.1	Confident	74.7	Confident	31 Å²	31	55.3 Å²	55.3	19%	0.188	25%	0.249	C	C	.	.	H	α-helix	trans	-81.9	2.4	175.1	-56.6	0	0	0	0	112.9	Y639 L645 W728 V733 M734 F739 P750	Y639-V737 PolarHBondContact OH-O 2.82Å; L645-V737 HydrophobicContact CD2-CG1 4.15Å; W728-V737 HydrophobicContact CH2-CG2 4.18Å; V733-V737 HydrophobicContact CG1-CG1 4.03Å; V733-V737 WeakPolarHBondContact O-CG2 3.3Å; V733-V737 PolarHBondContact O-N 3.36Å; M734-V737 PolarHBondContact O-N 2.96Å; V737-F739 PolarHBondContact O-N 2.99Å; V737-P750 HydrophobicContact CG2-CG 3.81Å
738	K	82.9	Confident	73.7	Confident	81 Å²	81	58.1 Å²	58.1	35%	0.352	26%	0.259	S	S	.	.			trans	-52.8	129.9	162	75.8	-179.2	179.1	-179.7	0	108.5	M734 R735 K736 W747 W748 M749	M734-K738 PolarHBondContact O-N 2.76Å; R735-K738 WeakPolarHBondContact O-CD 3.45Å; R735-K738 WeakPolarHBondContact O-CE 3.45Å; R735-K738 WeakPolarHBondContact O-CG 3.28Å; K736-K738 PolarHBondContact O-N 3.21Å; K738-W747 HydrophobicContact CB-CE3 4.32Å; K738-W747 HydrophobicContact CD-CD2 4.26Å; K738-W747 HydrophobicContact CD-CE3 3.69Å; K738-W747 HydrophobicContact CD-CZ3 4.2Å; K738-W747 HydrophobicContact CG-CE3 3.6Å; K738-W747 HydrophobicContact CG-CZ3 3.88Å; K738-W748 VanDerWaalsContact CA-O 3.23Å; K738-W748 WeakPolarHBondContact CA-O 3.07Å; K738-W748 VanDerWaalsContact CB-O 3.28Å; K738-W748 WeakPolarHBondContact CB-O 3.25Å; K738-M749 HydrophobicContact CB-CG 4.25Å; K738-M749 HydrophobicContact CD-CG 4.47Å
739	F	73.1	Confident	73.2	Confident	55 Å²	55	61.2 Å²	61.2	24%	0.241	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	140.9	168.6	61.5	-82.9	0	0	0	107.6	Y639 L652 V737 D741 W748	Y639-F739 HydrophobicContact CD1-CD1 4.21Å; Y639-F739 AromaticContact CD1-CE1 3.81Å; Y639-F739 HydrophobicContact CD1-CE1 3.81Å; Y639-F739 HydrophobicContact CD2-CE1 4.2Å; Y639-F739 AromaticContact CE1-CD1 3.53Å; Y639-F739 HydrophobicContact CE1-CD1 3.53Å; Y639-F739 AromaticContact CE1-CE1 3.5Å; Y639-F739 HydrophobicContact CE1-CE1 3.5Å; Y639-F739 HydrophobicContact CE2-CD1 4.42Å; Y639-F739 AromaticContact CE2-CE1 3.89Å; Y639-F739 HydrophobicContact CE2-CE1 3.89Å; Y639-F739 HydrophobicContact CG-CE1 4.17Å; Y639-F739 AromaticContact CZ-CD1 3.65Å; Y639-F739 AromaticContact CZ-CE1 3.55Å; L652-F739 HydrophobicContact CD1-CE1 4.14Å; L652-F739 HydrophobicContact CD1-CZ 3.93Å; V737-F739 PolarHBondContact O-N 2.99Å; F739-D741 VanDerWaalsContact C-N 3.27Å; F739-D741 HydrophobicContact CD2-CB 3.83Å; F739-D741 HydrophobicContact CE2-CB 3.59Å; F739-D741 WeakPolarHBondContact CE2-OD1 3.45Å; F739-D741 PolarHBondContact O-N 3.47Å; F739-W748 HydrophobicContact CD1-CB 4.33Å; F739-W748 HydrophobicContact CE1-CB 3.89Å; F739-W748 HydrophobicContact CE2-CB 4.2Å; F739-W748 HydrophobicContact CE2-CG 4.28Å; F739-W748 HydrophobicContact CZ-CB 3.81Å; F739-W748 HydrophobicContact CZ-CD2 4.31Å; F739-W748 HydrophobicContact CZ-CE3 4.49Å; F739-W748 HydrophobicContact CZ-CG 4.02Å; F739-W748 PolarHBondContact N-O 3.24Å; F739-W748 PolarHBondContact O-N 2.89Å
740	Y	63.3	Low	72.8	Confident	92 Å²	92	61.2 Å²	61.2	36%	0.361	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	107.4	161.9	-175.9	-108.1	0	0	0	104.1	E742 R745 W747	Y740-E742 HydrophobicContact CD1-CG 4.11Å; Y740-E742 HydrophobicContact CE1-CG 4.48Å; Y740-E742 PolarHBondContact O-N 3.28Å; Y740-R745 WeakPolarHBondContact OH-CA 3.36Å; Y740-R745 VanDerWaalsContact OH-CB 3.31Å; Y740-R745 WeakPolarHBondContact OH-CB 3.44Å; Y740-W747 AromaticContact CD2-CD1 3.89Å; Y740-W747 AromaticContact CD2-CD2 3.91Å; Y740-W747 HydrophobicContact CD2-CD2 3.91Å; Y740-W747 AromaticContact CD2-CE2 3.67Å; Y740-W747 HydrophobicContact CD2-CG 4.08Å; Y740-W747 HydrophobicContact CD2-CZ2 4.18Å; Y740-W747 AromaticContact CD2-NE1 3.62Å; Y740-W747 HydrophobicContact CG-CD2 4.49Å; Y740-W747 HydrophobicContact CG-CZ2 4.37Å; Y740-W747 VanDerWaalsContact N-CE3 3.28Å
741	D	55.1	Low	72.5	Confident	11 Å²	11	60.9 Å²	60.9	6%	0.059	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	95.7	171.3	-165.5	24.1	0	0	0	105	F739 N743 T744 R745 Q746 W748	F739-D741 VanDerWaalsContact C-N 3.27Å; F739-D741 HydrophobicContact CD2-CB 3.83Å; F739-D741 HydrophobicContact CE2-CB 3.59Å; F739-D741 WeakPolarHBondContact CE2-OD1 3.45Å; F739-D741 PolarHBondContact O-N 3.47Å; D741-N743 CarbonylContact O-C 3.49Å; D741-N743 PolarHBondContact O-N 2.83Å; D741-N743 WeakPolarHBondContact OD1-CA 3.11Å; D741-N743 WeakPolarHBondContact OD1-CB 3.06Å; D741-N743 VanDerWaalsContact OD1-CG 3.32Å; D741-N743 PolarHBondContact OD1-N 3.04Å; D741-N743 PolarHBondContact OD1-ND2 2.93Å; D741-N743 WeakPolarHBondContact OD2-CB 3.38Å; D741-T744 VanDerWaalsContact CG-N 3.3Å; D741-T744 PolarHBondContact O-N 3.08Å; D741-T744 WeakPolarHBondContact OD2-CG2 3.46Å; D741-T744 PolarHBondContact OD2-N 3.48Å; D741-T744 PolarHBondContact OD2-OG1 3.42Å; D741-R745 VanDerWaalsContact O-CA 3.23Å; D741-R745 WeakPolarHBondContact O-CA 3.36Å; D741-R745 PolarHBondContact O-N 3.3Å; D741-Q746 WeakPolarHBondContact CB-O 3.39Å; D741-Q746 PolarHBondContact N-O 3.44Å; D741-Q746 VanDerWaalsContact N-O 3.1Å; D741-W748 HydrophobicContact CB-CG 3.93Å; D741-W748 PolarHBondContact OD2-NE1 2.71Å
742	E	43.7	Very low	72.3	Confident	145 Å²	145	59.2 Å²	59.2	68%	0.678	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.6	-26.6	161.6	-66.4	-171.7	-178.3	0	0	109.1	T52 Y740	T52-E742 WeakPolarHBondContact CG2-O 3.41Å; Y740-E742 HydrophobicContact CD1-CG 4.11Å; Y740-E742 HydrophobicContact CE1-CG 4.48Å; Y740-E742 PolarHBondContact O-N 3.28Å
743	N	41.9	Very low	72.2	Confident	22 Å²	22	56.7 Å²	56.7	12%	0.118	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-88	163.3	-47.8	-60.1	0	0	0	116.3	S50 S51 T52 V53 D741 R745	S50-N743 PolarHBondContact OG-ND2 3.16Å; S50-N743 PolarHBondContact OG-OD1 2.89Å; S51-N743 VanDerWaalsContact C-CB 3.41Å; S51-N743 WeakPolarHBondContact CA-OD1 3.31Å; S51-N743 PolarHBondContact N-OD1 3.16Å; S51-N743 VanDerWaalsContact N-OD1 3.14Å; S51-N743 WeakPolarHBondContact O-CB 3.48Å; S51-N743 PolarHBondContact O-OD1 3.32Å; T52-N743 CarbonylContact C-O 3.44Å; T52-N743 VanDerWaalsContact CA-O 3.31Å; T52-N743 WeakPolarHBondContact CA-O 3.37Å; T52-N743 WeakPolarHBondContact CA-OD1 3.34Å; T52-N743 WeakPolarHBondContact CB-O 3.19Å; T52-N743 VanDerWaalsContact CB-OD1 3.31Å; T52-N743 WeakPolarHBondContact CB-OD1 3.46Å; T52-N743 HydrophobicContact CG2-CB 3.73Å; T52-N743 VanDerWaalsContact CG2-CG 3.44Å; T52-N743 WeakPolarHBondContact CG2-OD1 3.49Å; T52-N743 PolarHBondContact N-OD1 2.91Å; V53-N743 CarbonylContact C-O 2.97Å; V53-N743 VanDerWaalsContact C-O 3.27Å; V53-N743 VanDerWaalsContact CA-O 3.28Å; V53-N743 WeakPolarHBondContact CA-O 3.35Å; V53-N743 PolarHBondContact N-O 2.95Å; D741-N743 CarbonylContact O-C 3.49Å; D741-N743 PolarHBondContact O-N 2.83Å; D741-N743 WeakPolarHBondContact OD1-CA 3.11Å; D741-N743 WeakPolarHBondContact OD1-CB 3.06Å; D741-N743 VanDerWaalsContact OD1-CG 3.32Å; D741-N743 PolarHBondContact OD1-N 3.04Å; D741-N743 PolarHBondContact OD1-ND2 2.93Å; D741-N743 WeakPolarHBondContact OD2-CB 3.38Å; N743-R745 PolarHBondContact O-N 3Å
744	T	46.2	Very low	72	Confident	15 Å²	15	56.7 Å²	56.7	9%	0.092	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-6.7	-174.1	56.8	0	0	0	0	115	V53 D741 Q746 W748	V53-T744 HydrophobicContact CB-CG2 4.41Å; V53-T744 HydrophobicContact CG2-CG2 3.71Å; D741-T744 VanDerWaalsContact CG-N 3.3Å; D741-T744 PolarHBondContact O-N 3.08Å; D741-T744 WeakPolarHBondContact OD2-CG2 3.46Å; D741-T744 PolarHBondContact OD2-N 3.48Å; D741-T744 PolarHBondContact OD2-OG1 3.42Å; T744-Q746 PolarHBondContact O-N 3.35Å; T744-Q746 VanDerWaalsContact O-N 3.11Å; T744-Q746 VanDerWaalsContact OG1-CB 3.29Å; T744-Q746 WeakPolarHBondContact OG1-CB 3.43Å; T744-Q746 PolarHBondContact OG1-N 2.9Å; T744-Q746 VanDerWaalsContact OG1-N 3.11Å; T744-Q746 PolarHBondContact OG1-O 2.93Å; T744-W748 HydrophobicContact CG2-CZ2 3.53Å; T744-W748 PolarHBondContact OG1-NE1 2.78Å
745	R	42.1	Very low	72.1	Confident	112 Å²	112	56.7 Å²	56.7	42%	0.423	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.8	28.9	-158	-66.7	-164.2	-167.9	176	5.3	112.5	E55 Y740 D741 N743	E55-R745 VanDerWaalsContact CB-NH1 3.34Å; E55-R745 VanDerWaalsContact CD-NH1 3.31Å; E55-R745 HydrophobicContact CG-CB 3.77Å; E55-R745 HydrophobicContact CG-CG 4.2Å; E55-R745 VanDerWaalsContact OE1-CB 3.31Å; E55-R745 WeakPolarHBondContact OE1-CB 3.5Å; E55-R745 WeakPolarHBondContact OE1-CD 3.4Å; E55-R745 IonicContact OE1-NH1 3.78Å; E55-R745 IonicContact OE2-CZ 2.96Å; E55-R745 IonicContact OE2-NH1 3.65Å; E55-R745 PolarHBondContact OE2-NH1 3.5Å; Y740-R745 WeakPolarHBondContact OH-CA 3.36Å; Y740-R745 VanDerWaalsContact OH-CB 3.31Å; Y740-R745 WeakPolarHBondContact OH-CB 3.44Å; D741-R745 VanDerWaalsContact O-CA 3.23Å; D741-R745 WeakPolarHBondContact O-CA 3.36Å; D741-R745 PolarHBondContact O-N 3.3Å; N743-R745 PolarHBondContact O-N 3Å
746	Q	58.9	Low	72.4	Confident	128 Å²	128	51 Å²	51	60%	0.598	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-115.9	147.9	170.5	-59.6	173	-5	0	0	106.6	D741 T744 W748	D741-Q746 WeakPolarHBondContact CB-O 3.39Å; D741-Q746 PolarHBondContact N-O 3.44Å; D741-Q746 VanDerWaalsContact N-O 3.1Å; T744-Q746 PolarHBondContact O-N 3.35Å; T744-Q746 VanDerWaalsContact O-N 3.11Å; T744-Q746 VanDerWaalsContact OG1-CB 3.29Å; T744-Q746 WeakPolarHBondContact OG1-CB 3.43Å; T744-Q746 PolarHBondContact OG1-N 2.9Å; T744-Q746 VanDerWaalsContact OG1-N 3.11Å; T744-Q746 PolarHBondContact OG1-O 2.93Å; Q746-W748 PolarHBondContact O-N 3.08Å; Q746-W748 VanDerWaalsContact O-N 3.13Å
747	W	67.3	Low	72.7	Confident	140 Å²	140	46.3 Å²	46.3	53%	0.53	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	112.4	162.8	-73	94.1	0	0	0	107	K738 Y740 M749	K738-W747 HydrophobicContact CB-CE3 4.32Å; K738-W747 HydrophobicContact CD-CD2 4.26Å; K738-W747 HydrophobicContact CD-CE3 3.69Å; K738-W747 HydrophobicContact CD-CZ3 4.2Å; K738-W747 HydrophobicContact CG-CE3 3.6Å; K738-W747 HydrophobicContact CG-CZ3 3.88Å; Y740-W747 AromaticContact CD2-CD1 3.89Å; Y740-W747 AromaticContact CD2-CD2 3.91Å; Y740-W747 HydrophobicContact CD2-CD2 3.91Å; Y740-W747 AromaticContact CD2-CE2 3.67Å; Y740-W747 HydrophobicContact CD2-CG 4.08Å; Y740-W747 HydrophobicContact CD2-CZ2 4.18Å; Y740-W747 AromaticContact CD2-NE1 3.62Å; Y740-W747 HydrophobicContact CG-CD2 4.49Å; Y740-W747 HydrophobicContact CG-CZ2 4.37Å; Y740-W747 VanDerWaalsContact N-CE3 3.28Å; W747-M749 PolarHBondContact O-N 3.29Å
748	W	72.1	Confident	73.2	Confident	59 Å²	59	45.3 Å²	45.3	22%	0.223	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	112.1	167.6	-79.7	56.3	0	0	0	106.2	Y639 K738 F739 D741 T744 Q746	Y639-W748 HydrophobicContact CD1-CB 3.85Å; Y639-W748 WeakPolarHBondContact CD1-O 3.32Å; Y639-W748 HydrophobicContact CG-CB 4.44Å; Y639-W748 HydrophobicContact CG-CE3 4.5Å; K738-W748 VanDerWaalsContact CA-O 3.23Å; K738-W748 WeakPolarHBondContact CA-O 3.07Å; K738-W748 VanDerWaalsContact CB-O 3.28Å; K738-W748 WeakPolarHBondContact CB-O 3.25Å; F739-W748 HydrophobicContact CD1-CB 4.33Å; F739-W748 HydrophobicContact CE1-CB 3.89Å; F739-W748 HydrophobicContact CE2-CB 4.2Å; F739-W748 HydrophobicContact CE2-CG 4.28Å; F739-W748 HydrophobicContact CZ-CB 3.81Å; F739-W748 HydrophobicContact CZ-CD2 4.31Å; F739-W748 HydrophobicContact CZ-CE3 4.49Å; F739-W748 HydrophobicContact CZ-CG 4.02Å; F739-W748 PolarHBondContact N-O 3.24Å; F739-W748 PolarHBondContact O-N 2.89Å; D741-W748 HydrophobicContact CB-CG 3.93Å; D741-W748 PolarHBondContact OD2-NE1 2.71Å; T744-W748 HydrophobicContact CG2-CZ2 3.53Å; T744-W748 PolarHBondContact OG1-NE1 2.78Å; Q746-W748 PolarHBondContact O-N 3.08Å; Q746-W748 VanDerWaalsContact O-N 3.13Å
749	M	81.2	Confident	73.8	Confident	67 Å²	67	41.5 Å²	41.5	33%	0.33	18%	0.181	S	C	.	.			trans	-98.8	135.5	172	-62	-165.4	-57.5	0	0	107.6	Y639 K738 W747 D751 M902	Y639-M749 VanDerWaalsContact CD1-C 3.49Å; K738-M749 HydrophobicContact CB-CG 4.25Å; K738-M749 HydrophobicContact CD-CG 4.47Å; W747-M749 PolarHBondContact O-N 3.29Å; M749-D751 PolarHBondContact O-N 3.47Å; M749-M902 HydrophobicContact CB-CE 4.33Å; M749-M902 HydrophobicContact CE-CE 4.18Å; M749-M902 HydrophobicContact SD-CE 3.81Å
750	P	85.4	Confident	74.8	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.013	17%	0.17	C	C	.	.			trans	-53.3	130.2	173.2	-25.5	34	0	0	0	110.7	Y639 P641 M734 V737 T752	Y639-P750 HydrophobicContact CD1-CB 4.28Å; Y639-P750 HydrophobicContact CD1-CG 3.78Å; Y639-P750 VanDerWaalsContact CD1-N 3.29Å; Y639-P750 HydrophobicContact CE1-CB 4.46Å; Y639-P750 HydrophobicContact CE1-CG 3.55Å; Y639-P750 HydrophobicContact CG-CG 4.42Å; Y639-P750 WeakPolarHBondContact O-CA 3.42Å; P641-P750 HydrophobicContact CG-CB 4.05Å; P641-P750 HydrophobicContact CG-CG 4.44Å; M734-P750 HydrophobicContact CB-CB 4.27Å; M734-P750 HydrophobicContact CB-CG 4.16Å; M734-P750 HydrophobicContact CE-CB 4.03Å; M734-P750 HydrophobicContact CG-CB 4.26Å; M734-P750 WeakPolarHBondContact O-CD 2.99Å; V737-P750 HydrophobicContact CG2-CG 3.81Å; P750-T752 WeakPolarHBondContact CB-O 3.25Å
751	D	86.2	Confident	76.4	Confident	10 Å²	10	35.4 Å²	35.4	5%	0.053	16%	0.158	C	C	.	.	S	Bend	trans	-78.7	-27.7	174.9	-73.2	-65.8	0	0	0	111.1	Y639 F640 M749 H906 L907 Y910	Y639-D751 PolarHBondContact N-OD2 3.02Å; Y639-D751 PolarHBondContact O-N 3Å; F640-D751 HydrophobicContact CE1-CB 4.11Å; M749-D751 PolarHBondContact O-N 3.47Å; D751-H906 WeakPolarHBondContact OD1-CA 3.3Å; D751-H906 WeakPolarHBondContact OD1-CB 3.37Å; D751-H906 PolarHBondContact OD1-N 3.41Å; D751-L907 HydrophobicContact CB-CD1 4.42Å; D751-Y910 WeakPolarHBondContact OD2-CE2 3.36Å
752	T	88.3	Confident	78.3	Confident	1 Å²	1	39 Å²	39	1%	0.006	17%	0.174	C	C	.	.	S	Bend	trans	-138.5	175.3	169.7	-163.3	0	0	0	0	111.1	F640 P641 E701 M734 P750 N756	F640-T752 HydrophobicContact CD1-CG2 3.6Å; F640-T752 HydrophobicContact CE1-CG2 4.14Å; P641-T752 VanDerWaalsContact CD-O 3.28Å; P641-T752 WeakPolarHBondContact CD-O 3.43Å; P641-T752 WeakPolarHBondContact CG-O 3.49Å; E701-T752 HydrophobicContact CB-CG2 4.26Å; E701-T752 HydrophobicContact CG-CG2 4.42Å; M734-T752 VanDerWaalsContact CE-C 3.49Å; M734-T752 WeakPolarHBondContact CE-O 3.41Å; P750-T752 WeakPolarHBondContact CB-O 3.25Å; T752-N756 WeakPolarHBondContact OG1-CA 3.37Å; T752-N756 WeakPolarHBondContact OG1-CB 3.36Å
753	G	87.9	Confident	80.7	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	14%	0.142	C	C	.	.			trans	-73.6	-150.4	167.6	0	0	0	0	0	111.3	P641 W728 Y729	P641-G753 VanDerWaalsContact CD-O 3.3Å; P641-G753 WeakPolarHBondContact CD-O 3.45Å; P641-G753 WeakPolarHBondContact CG-O 3.07Å; W728-G753 CarbonylContact O-C 3.27Å; W728-G753 WeakPolarHBondContact O-CA 3.1Å; Y729-G753 VanDerWaalsContact CD2-N 3.33Å
754	G	87.8	Confident	83.2	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-60.7	-54.4	163.2	0	0	0	0	0	109.2	D699 W728	D699-G754 VanDerWaalsContact OD1-C 3.28Å; W728-G754 PolarHBondContact O-N 2.92Å
755	A	91.4	Very high	85.5	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-113.4	158.7	171.3	0	0	0	0	0	112	D727 Y729 I757 L760	D727-A755 HydrophobicContact CB-CB 4.19Å; Y729-A755 VanDerWaalsContact CD2-O 3.32Å; Y729-A755 WeakPolarHBondContact CD2-O 3.45Å; A755-I757 VanDerWaalsContact C-N 3.31Å; A755-I757 HydrophobicContact CB-CD1 4.37Å; A755-I757 PolarHBondContact O-N 3.44Å; A755-L760 HydrophobicContact CB-CD1 4.38Å
756	N	93.4	Very high	87.9	Confident	2 Å²	2	30.8 Å²	30.8	1%	0.011	15%	0.15	C	C	.	.			trans	-81.2	73.1	172.2	-169.8	-6	0	0	0	111.6	S700 E701 E703 T752 P758 A759 L760	S700-N756 PolarHBondContact O-N 2.74Å; E701-N756 VanDerWaalsContact O-CB 3.32Å; E701-N756 WeakPolarHBondContact O-CB 3.47Å; E701-N756 PolarHBondContact O-ND2 3.36Å; E703-N756 PolarHBondContact OE1-ND2 2.91Å; T752-N756 WeakPolarHBondContact OG1-CA 3.37Å; T752-N756 WeakPolarHBondContact OG1-CB 3.36Å; N756-P758 WeakPolarHBondContact OD1-CD 3.32Å; N756-A759 HydrophobicContact CB-CB 4.2Å; N756-A759 VanDerWaalsContact CG-CB 3.49Å; N756-A759 PolarHBondContact O-N 3.4Å; N756-A759 PolarHBondContact OD1-N 2.81Å; N756-L760 PolarHBondContact O-N 3.26Å
757	I	95.2	Very high	89.6	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-55.9	-42.8	-179.7	-59.7	-59.6	0	0	0	113.8	S726 D727 Y729 A755 A759 L760 N761 F771 P899	S726-I757 WeakPolarHBondContact OG-CD1 3.44Å; D727-I757 VanDerWaalsContact O-CD1 3.3Å; D727-I757 WeakPolarHBondContact O-CD1 3.22Å; Y729-I757 VanDerWaalsContact CB-CG1 3.41Å; Y729-I757 HydrophobicContact CG-CB 4.23Å; Y729-I757 HydrophobicContact CG-CG1 4.46Å; A755-I757 VanDerWaalsContact C-N 3.31Å; A755-I757 HydrophobicContact CB-CD1 4.37Å; A755-I757 PolarHBondContact O-N 3.44Å; I757-A759 VanDerWaalsContact C-N 3.28Å; I757-A759 PolarHBondContact O-N 2.99Å; I757-L760 HydrophobicContact CD1-CD1 4.18Å; I757-L760 PolarHBondContact O-N 3.41Å; I757-N761 WeakPolarHBondContact O-CB 3.17Å; I757-N761 PolarHBondContact O-N 2.96Å; I757-F771 HydrophobicContact CD1-CB 4.27Å; I757-F771 HydrophobicContact CD1-CD2 4.13Å; I757-F771 HydrophobicContact CD1-CG 4.33Å; I757-F771 HydrophobicContact CG2-CB 3.69Å; I757-P899 HydrophobicContact CB-CG 3.92Å; I757-P899 HydrophobicContact CG2-CG 3.36Å
758	P	94.4	Very high	90.8	Very high	9 Å²	9	23.9 Å²	23.9	6%	0.058	13%	0.126	C	C	.	.	H	α-helix	trans	-56	-42.1	177.1	-27.6	36.2	0	0	0	113	Y729 N756 N761 E762 P899 R901	Y729-P758 HydrophobicContact CD1-CG 3.96Å; Y729-P758 HydrophobicContact CD2-CG 4.42Å; Y729-P758 HydrophobicContact CE1-CG 3.6Å; Y729-P758 HydrophobicContact CE2-CG 4.09Å; Y729-P758 HydrophobicContact CG-CG 4.36Å; N756-P758 WeakPolarHBondContact OD1-CD 3.32Å; P758-N761 PolarHBondContact O-N 3.42Å; P758-E762 PolarHBondContact O-N 3.14Å; P758-P899 HydrophobicContact CG-CB 4.35Å; P758-P899 HydrophobicContact CG-CG 4.48Å; P758-R901 HydrophobicContact CB-CG 3.73Å; P758-R901 HydrophobicContact CG-CG 4.22Å
759	A	94.4	Very high	91.8	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.008	12%	0.116	C	C	.	.	H	α-helix	trans	-66.9	-44.1	175.7	0	0	0	0	0	112.3	E703 Y704 N756 I757 N761 E762 L763	E703-A759 VanDerWaalsContact OE2-CB 3.26Å; E703-A759 WeakPolarHBondContact OE2-CB 3.49Å; Y704-A759 HydrophobicContact CD2-CB 4.15Å; Y704-A759 HydrophobicContact CE2-CB 4.23Å; N756-A759 HydrophobicContact CB-CB 4.2Å; N756-A759 VanDerWaalsContact CG-CB 3.49Å; N756-A759 PolarHBondContact O-N 3.4Å; N756-A759 PolarHBondContact OD1-N 2.81Å; I757-A759 VanDerWaalsContact C-N 3.28Å; I757-A759 PolarHBondContact O-N 2.99Å; A759-N761 VanDerWaalsContact C-N 3.3Å; A759-N761 PolarHBondContact O-N 3.02Å; A759-E762 WeakPolarHBondContact O-CB 3Å; A759-E762 PolarHBondContact O-N 2.75Å; A759-L763 PolarHBondContact O-N 3.3Å
760	L	95.4	Very high	92.5	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-60.5	-38.7	174.6	-75.8	170.1	0	0	0	112.2	M697 Y704 I724 S726 A755 N756 I757 L763 L764	M697-L760 HydrophobicContact CE-CD2 4.05Å; Y704-L760 HydrophobicContact CE2-CD2 4.14Å; Y704-L760 WeakPolarHBondContact OH-CD2 3.49Å; I724-L760 HydrophobicContact CG2-CD2 4.43Å; S726-L760 WeakPolarHBondContact OG-CD1 2.7Å; A755-L760 HydrophobicContact CB-CD1 4.38Å; N756-L760 PolarHBondContact O-N 3.26Å; I757-L760 HydrophobicContact CD1-CD1 4.18Å; I757-L760 PolarHBondContact O-N 3.41Å; L760-L763 WeakPolarHBondContact O-CB 2.91Å; L760-L763 PolarHBondContact O-N 3.44Å; L760-L764 VanDerWaalsContact O-CB 3.29Å; L760-L764 WeakPolarHBondContact O-CB 3.31Å; L760-L764 WeakPolarHBondContact O-CG 3.35Å; L760-L764 PolarHBondContact O-N 3.22Å
761	N	95.6	Very high	93	Very high	19 Å²	19	18.1 Å²	18.1	10%	0.102	10%	0.101	C	C	.	.	H	α-helix	trans	-67.6	-36	176.7	-79.3	-8.2	0	0	0	112.2	I757 P758 A759 L764 S765 G770 F771	I757-N761 WeakPolarHBondContact O-CB 3.17Å; I757-N761 PolarHBondContact O-N 2.96Å; P758-N761 PolarHBondContact O-N 3.42Å; A759-N761 VanDerWaalsContact C-N 3.3Å; A759-N761 PolarHBondContact O-N 3.02Å; N761-L764 PolarHBondContact O-N 2.85Å; N761-S765 WeakPolarHBondContact O-CB 3.27Å; N761-S765 PolarHBondContact O-N 2.68Å; N761-G770 WeakPolarHBondContact OD1-CA 3.31Å; N761-F771 PolarHBondContact ND2-O 3.32Å; N761-F771 PolarHBondContact OD1-N 2.88Å
762	E	94.5	Very high	93.4	Very high	87 Å²	87	17.9 Å²	17.9	41%	0.407	10%	0.1	S	C	.	.	H	α-helix	trans	-62.4	-45.7	172.7	-171.9	171.5	169.1	0	0	110.9	I709 P758 A759 L764 S765 R901	I709-E762 HydrophobicContact CD1-CG 4.16Å; P758-E762 PolarHBondContact O-N 3.14Å; A759-E762 WeakPolarHBondContact O-CB 3Å; A759-E762 PolarHBondContact O-N 2.75Å; E762-L764 PolarHBondContact O-N 2.95Å; E762-S765 WeakPolarHBondContact O-CB 3.15Å; E762-S765 PolarHBondContact O-N 3.23Å; E762-S765 PolarHBondContact O-OG 2.64Å; E762-R901 IonicContact OE2-CZ 2.76Å; E762-R901 IonicContact OE2-NH1 2.91Å; E762-R901 IonicContact OE2-NH2 3.46Å; E762-R901 PolarHBondContact OE2-NH2 3.05Å
763	L	95.3	Very high	93.5	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-59.3	-44.7	173.5	-177.4	70.9	0	0	0	112.3	M697 Y704 I709 L712 A759 L760	M697-L763 HydrophobicContact CE-CD2 3.62Å; M697-L763 HydrophobicContact SD-CD2 4.31Å; Y704-L763 HydrophobicContact CD1-CD1 4.34Å; Y704-L763 HydrophobicContact CD1-CD2 4.28Å; Y704-L763 HydrophobicContact CD2-CB 4.12Å; Y704-L763 HydrophobicContact CD2-CD2 4.43Å; Y704-L763 HydrophobicContact CE1-CD2 3.91Å; Y704-L763 HydrophobicContact CE2-CB 4.34Å; Y704-L763 HydrophobicContact CE2-CD2 4.12Å; Y704-L763 HydrophobicContact CG-CB 4.49Å; Y704-L763 HydrophobicContact CG-CD1 4.34Å; I709-L763 HydrophobicContact CB-CD1 4.25Å; I709-L763 HydrophobicContact CG1-CD1 3.77Å; I709-L763 HydrophobicContact CG2-CD1 4.42Å; L712-L763 HydrophobicContact CD2-CD1 3.74Å; L712-L763 HydrophobicContact CD2-CD2 4.01Å; L712-L763 HydrophobicContact CD2-CG 4.11Å; A759-L763 PolarHBondContact O-N 3.3Å; L760-L763 WeakPolarHBondContact O-CB 2.91Å; L760-L763 PolarHBondContact O-N 3.44Å
764	L	95.2	Very high	93.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-78.5	-17.7	-176.1	-73.4	174.7	0	0	0	114.5	I724 L760 N761 E762 V766 W767 M769 F771 L845	I724-L764 HydrophobicContact CD1-CD1 4.42Å; I724-L764 HydrophobicContact CD1-CD2 3.68Å; I724-L764 HydrophobicContact CD1-CG 4.35Å; L760-L764 VanDerWaalsContact O-CB 3.29Å; L760-L764 WeakPolarHBondContact O-CB 3.31Å; L760-L764 WeakPolarHBondContact O-CG 3.35Å; L760-L764 PolarHBondContact O-N 3.22Å; N761-L764 PolarHBondContact O-N 2.85Å; E762-L764 PolarHBondContact O-N 2.95Å; L764-V766 PolarHBondContact O-N 2.61Å; L764-W767 HydrophobicContact CD2-CE3 4.15Å; L764-W767 HydrophobicContact CD2-CZ3 4.26Å; L764-W767 PolarHBondContact O-N 2.84Å; L764-M769 CarbonylContact C-O 3.54Å; L764-M769 HydrophobicContact CB-CB 4.01Å; L764-M769 HydrophobicContact CD2-CB 4.44Å; L764-M769 PolarHBondContact O-N 3.02Å; L764-F771 HydrophobicContact CD1-CD2 4.14Å; L764-F771 HydrophobicContact CD1-CE2 3.83Å; L764-L845 HydrophobicContact CD1-CD1 4.16Å; L764-L845 HydrophobicContact CD1-CD2 3.77Å; L764-L845 HydrophobicContact CD2-CD2 3.95Å
765	S	93.4	Very high	93.8	Very high	73 Å²	73	20.9 Å²	20.9	51%	0.51	12%	0.118	S	C	.	.	G	3₁₀ helix	trans	-55.5	-30	-176.8	69.3	0	0	0	0	113.1	N761 E762 W767 N768	N761-S765 WeakPolarHBondContact O-CB 3.27Å; N761-S765 PolarHBondContact O-N 2.68Å; E762-S765 WeakPolarHBondContact O-CB 3.15Å; E762-S765 PolarHBondContact O-N 3.23Å; E762-S765 PolarHBondContact O-OG 2.64Å; S765-W767 PolarHBondContact O-N 3.34Å; S765-N768 PolarHBondContact O-N 2.67Å
766	V	93.4	Very high	93.9	Very high	46 Å²	46	22.4 Å²	22.4	28%	0.279	12%	0.124	S	C	.	.	G	3₁₀ helix	trans	-62.8	-22.1	179.3	-57.2	0	0	0	0	113.7	I709 R713 L764	I709-V766 HydrophobicContact CG2-CG1 3.71Å; R713-V766 HydrophobicContact CB-CG2 4.49Å; L764-V766 PolarHBondContact O-N 2.61Å
767	W	93.1	Very high	93.9	Very high	24 Å²	24	22.3 Å²	22.3	9%	0.091	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-107.2	13.6	174.9	-59.1	-72.8	0	0	0	113.1	L712 R713 V716 L722 L764 S765 M769 P799 I843	L712-W767 HydrophobicContact CD2-CH2 4.18Å; L712-W767 HydrophobicContact CG-CH2 4.21Å; R713-W767 HydrophobicContact CB-CZ2 4.47Å; V716-W767 HydrophobicContact CB-CZ2 3.78Å; V716-W767 HydrophobicContact CG1-CZ2 3.83Å; V716-W767 HydrophobicContact CG2-CH2 4.19Å; V716-W767 HydrophobicContact CG2-CZ2 3.84Å; L722-W767 HydrophobicContact CD1-CH2 3.74Å; L722-W767 HydrophobicContact CD1-CZ2 4.4Å; L722-W767 HydrophobicContact CD1-CZ3 4.09Å; L764-W767 HydrophobicContact CD2-CE3 4.15Å; L764-W767 HydrophobicContact CD2-CZ3 4.26Å; L764-W767 PolarHBondContact O-N 2.84Å; S765-W767 PolarHBondContact O-N 3.34Å; W767-M769 HydrophobicContact CB-CE 4.06Å; W767-M769 HydrophobicContact CB-CG 4.16Å; W767-M769 HydrophobicContact CB-SD 4.11Å; W767-M769 PolarHBondContact O-N 3.15Å; W767-P799 WeakPolarHBondContact O-CG 3.12Å; W767-I843 HydrophobicContact CB-CD1 4.39Å; W767-I843 HydrophobicContact CD2-CD1 3.37Å; W767-I843 HydrophobicContact CE3-CD1 3.77Å; W767-I843 HydrophobicContact CG-CD1 3.67Å; W767-I843 HydrophobicContact CH2-CD1 4.39Å; W767-I843 HydrophobicContact CZ2-CD1 4.04Å; W767-I843 HydrophobicContact CZ3-CD1 4.27Å
768	N	92.4	Very high	93.8	Very high	100 Å²	100	22.9 Å²	22.9	54%	0.535	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	40.4	-173.1	-166.8	39.4	0	0	0	112.7	S765	S765-N768 PolarHBondContact O-N 2.67Å
769	M	94.8	Very high	93.7	Very high	5 Å²	5	28.8 Å²	28.8	3%	0.025	16%	0.157	C	C	.	.			trans	-114.4	153.3	178	-70.2	178.4	-168.7	0	0	110.8	L764 W767 K797 F798 P799 Y833 I843 L845	L764-M769 CarbonylContact C-O 3.54Å; L764-M769 HydrophobicContact CB-CB 4.01Å; L764-M769 HydrophobicContact CD2-CB 4.44Å; L764-M769 PolarHBondContact O-N 3.02Å; W767-M769 HydrophobicContact CB-CE 4.06Å; W767-M769 HydrophobicContact CB-CG 4.16Å; W767-M769 HydrophobicContact CB-SD 4.11Å; W767-M769 PolarHBondContact O-N 3.15Å; M769-K797 WeakPolarHBondContact CA-O 3.34Å; M769-F798 HydrophobicContact CE-CD2 4.49Å; M769-F798 HydrophobicContact CE-CE2 3.94Å; M769-F798 HydrophobicContact CE-CZ 4.17Å; M769-F798 HydrophobicContact CG-CD2 3.91Å; M769-F798 HydrophobicContact CG-CE2 4.11Å; M769-F798 HydrophobicContact SD-CD2 4.27Å; M769-F798 HydrophobicContact SD-CE2 3.84Å; M769-P799 HydrophobicContact CE-CG 3.71Å; M769-P799 HydrophobicContact CG-CG 4.21Å; M769-Y833 VanDerWaalsContact CE-CB 3.44Å; M769-Y833 HydrophobicContact CE-CD1 3.24Å; M769-Y833 HydrophobicContact CE-CD2 4.4Å; M769-Y833 HydrophobicContact CE-CE1 4.05Å; M769-Y833 HydrophobicContact CE-CG 3.45Å; M769-Y833 VanDerWaalsContact CE-CG 3.45Å; M769-I843 HydrophobicContact CE-CB 4.25Å; M769-I843 HydrophobicContact CE-CD1 4.26Å; M769-I843 HydrophobicContact CE-CG2 4.31Å; M769-I843 HydrophobicContact SD-CB 4.38Å; M769-I843 HydrophobicContact SD-CD1 4.39Å; M769-I843 HydrophobicContact SD-CG2 3.79Å; M769-L845 HydrophobicContact CB-CD1 4.11Å; M769-L845 HydrophobicContact CG-CD1 4.41Å; M769-L845 HydrophobicContact SD-CD1 4.16Å
770	G	94.8	Very high	93.6	Very high	2 Å²	2	29.3 Å²	29.3	2%	0.021	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.6	151.6	170.2	0	0	0	0	0	113.4	N761 A796 K797	N761-G770 WeakPolarHBondContact OD1-CA 3.31Å; G770-A796 PolarHBondContact O-N 2.93Å; G770-K797 PolarHBondContact N-O 3.37Å; G770-K797 PolarHBondContact O-N 3.14Å
771	F	95.9	Very high	93.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	157.2	172.6	-61.1	-76.5	0	0	0	111.8	I724 I757 N761 L764 C793 S794 I795 L845 P899	I724-F771 HydrophobicContact CG2-CE2 4.26Å; I724-F771 HydrophobicContact CG2-CZ 4.37Å; I757-F771 HydrophobicContact CD1-CB 4.27Å; I757-F771 HydrophobicContact CD1-CD2 4.13Å; I757-F771 HydrophobicContact CD1-CG 4.33Å; I757-F771 HydrophobicContact CG2-CB 3.69Å; N761-F771 PolarHBondContact ND2-O 3.32Å; N761-F771 PolarHBondContact OD1-N 2.88Å; L764-F771 HydrophobicContact CD1-CD2 4.14Å; L764-F771 HydrophobicContact CD1-CE2 3.83Å; F771-C793 WeakPolarHBondContact CD1-SG 3.32Å; F771-S794 CarbonylContact C-O 3.53Å; F771-S794 VanDerWaalsContact CA-O 3.32Å; F771-S794 WeakPolarHBondContact CA-O 3.39Å; F771-I795 HydrophobicContact CD1-CG1 4.2Å; F771-I795 HydrophobicContact CE1-CG1 4.2Å; F771-L845 HydrophobicContact CE1-CB 3.99Å; F771-L845 HydrophobicContact CE2-CD2 4.31Å; F771-L845 HydrophobicContact CZ-CB 3.82Å; F771-L845 HydrophobicContact CZ-CD1 4.34Å; F771-L845 HydrophobicContact CZ-CD2 4.02Å; F771-L845 HydrophobicContact CZ-CG 4.27Å; F771-P899 WeakPolarHBondContact O-CD 3.28Å
772	S	93.8	Very high	92.9	Very high	4 Å²	4	32.8 Å²	32.8	3%	0.028	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	172	176.3	79.5	0	0	0	0	111.6	G774 S794 V897	S772-G774 VanDerWaalsContact C-N 3.25Å; S772-G774 PolarHBondContact OG-N 3.49Å; S772-S794 PolarHBondContact N-O 3.26Å; S772-S794 PolarHBondContact OG-O 2.77Å; S772-S794 PolarHBondContact OG-OG 2.92Å; S772-V897 WeakPolarHBondContact CA-O 3.42Å
773	D	91.3	Very high	92.4	Very high	50 Å²	50	29.9 Å²	29.9	27%	0.267	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	1.8	169.2	72.9	-25.8	0	0	0	113.3	N730 V897 P899	N730-D773 PolarHBondContact ND2-O 2.89Å; D773-V897 PolarHBondContact N-O 3.19Å; D773-P899 HydrophobicContact CB-CB 3.95Å
774	G	90.3	Very high	91.8	Very high	12 Å²	12	37.1 Å²	37.1	12%	0.124	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	133.9	-177.2	0	0	0	0	0	111.4	S772 Y776 C793	S772-G774 VanDerWaalsContact C-N 3.25Å; S772-G774 PolarHBondContact OG-N 3.49Å; G774-Y776 VanDerWaalsContact C-CE2 3.44Å; G774-C793 VanDerWaalsContact O-CA 3.28Å; G774-C793 WeakPolarHBondContact O-CA 3.49Å
775	L	92.3	Very high	91.5	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	115.9	-174.4	176.5	69.6	0	0	0	110.5	L645 W728 V733 S791 Q812 G813	L645-L775 HydrophobicContact CD1-CD1 4.06Å; L645-L775 HydrophobicContact CD1-CD2 3.36Å; L645-L775 HydrophobicContact CD1-CG 4.33Å; W728-L775 HydrophobicContact CB-CD1 3.29Å; W728-L775 HydrophobicContact CD2-CD1 4.44Å; W728-L775 HydrophobicContact CG-CD1 3.8Å; V733-L775 HydrophobicContact CG1-CD2 4.35Å; V733-L775 HydrophobicContact CG2-CD2 4.09Å; L775-S791 VanDerWaalsContact CD1-O 3.26Å; L775-S791 WeakPolarHBondContact CD1-O 3.44Å; L775-Q812 HydrophobicContact CD2-CB 4.3Å; L775-Q812 HydrophobicContact CD2-CG 4.44Å; L775-Q812 HydrophobicContact CG-CB 4.12Å; L775-Q812 PolarHBondContact O-N 2.78Å; L775-G813 PolarHBondContact O-N 2.94Å
776	Y	93.9	Very high	91.4	Very high	32 Å²	32	41.8 Å²	41.8	13%	0.125	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	151	-169.4	-56.6	-77.3	0	0	0	113.5	G774 S791 G792 S794 F809 K810 V824 V827	G774-Y776 VanDerWaalsContact C-CE2 3.44Å; Y776-S791 CarbonylContact O-C 3.57Å; Y776-S791 WeakPolarHBondContact O-CA 3.28Å; Y776-S791 PolarHBondContact O-N 2.86Å; Y776-G792 PolarHBondContact N-O 3.27Å; Y776-G792 PolarHBondContact O-N 3.04Å; Y776-G792 VanDerWaalsContact O-N 3.08Å; Y776-S794 WeakPolarHBondContact CE2-OG 3.41Å; Y776-F809 HydrophobicContact CD1-CB 4.37Å; Y776-F809 HydrophobicContact CG-CB 4.47Å; Y776-K810 WeakPolarHBondContact CA-O 3.23Å; Y776-V824 HydrophobicContact CE1-CB 4.02Å; Y776-V824 HydrophobicContact CE1-CG1 4.2Å; Y776-V824 HydrophobicContact CE1-CG2 4.13Å; Y776-V827 HydrophobicContact CD1-CG1 4.17Å; Y776-V827 HydrophobicContact CD1-CG2 3.81Å; Y776-V827 HydrophobicContact CD2-CG1 3.5Å; Y776-V827 VanDerWaalsContact CD2-CG1 3.5Å; Y776-V827 HydrophobicContact CE1-CG1 4.26Å; Y776-V827 HydrophobicContact CE1-CG2 3.72Å; Y776-V827 HydrophobicContact CE2-CG1 3.6Å; Y776-V827 HydrophobicContact CG-CG1 3.78Å; Y776-V827 HydrophobicContact CG-CG2 4.25Å
777	E	93.3	Very high	91.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	141.6	178.7	-177.5	176.5	-145.7	0	0	112.7	R646 Y788 Y789 K810 Q812	R646-E777 WeakPolarHBondContact CD-OE1 3.32Å; R646-E777 WeakPolarHBondContact CG-OE1 3.08Å; R646-E777 VanDerWaalsContact CZ-CD 3.41Å; R646-E777 IonicContact CZ-OE1 2.71Å; R646-E777 IonicContact CZ-OE2 2.72Å; R646-E777 IonicContact NE-OE1 2.93Å; R646-E777 PolarHBondContact NE-OE1 2.79Å; R646-E777 IonicContact NE-OE2 3.59Å; R646-E777 PolarHBondContact NE-OE2 3.26Å; R646-E777 IonicContact NH1-OE1 2.78Å; R646-E777 IonicContact NH2-OE1 3.06Å; R646-E777 IonicContact NH2-OE2 3.45Å; R646-E777 PolarHBondContact NH2-OE2 3.43Å; E777-Y788 HydrophobicContact CG-CE1 4.33Å; E777-Y788 WeakPolarHBondContact CG-OH 3.23Å; E777-Y788 PolarHBondContact OE1-OH 3.36Å; E777-Y789 WeakPolarHBondContact CA-O 3.15Å; E777-K810 PolarHBondContact N-O 2.86Å; E777-K810 WeakPolarHBondContact O-CB 3.22Å; E777-K810 PolarHBondContact O-N 2.86Å; E777-Q812 HydrophobicContact CB-CB 3.99Å; E777-Q812 HydrophobicContact CB-CG 4.36Å; E777-Q812 VanDerWaalsContact CD-NE2 3.26Å; E777-Q812 PolarHBondContact OE2-NE2 3.36Å; E777-Q812 VanDerWaalsContact OE2-NE2 3.08Å
778	G	92.5	Very high	91.3	Very high	13 Å²	13	39.3 Å²	39.3	13%	0.134	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.6	169.2	165.2	0	0	0	0	0	115.1	Y789 F809	G778-Y789 PolarHBondContact N-O 2.72Å; G778-Y789 VanDerWaalsContact N-O 3.12Å; G778-Y789 PolarHBondContact O-N 2.85Å; G778-F809 WeakPolarHBondContact O-CE1 3.32Å
779	E	92.6	Very high	91.3	Very high	132 Å²	132	34.5 Å²	34.5	62%	0.617	19%	0.188	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	138.1	168.9	-72.5	-171.2	144	0	0	110.3	M787 Y788 K859	E779-M787 WeakPolarHBondContact CA-O 3.41Å; E779-Y788 HydrophobicContact CG-CD2 3.64Å; E779-Y788 HydrophobicContact CG-CE2 4.17Å; E779-K859 WeakPolarHBondContact OE1-CE 3.34Å; E779-K859 IonicContact OE1-NZ 3.02Å; E779-K859 PolarHBondContact OE1-NZ 2.82Å
780	F	91.6	Very high	91.1	Very high	13 Å²	13	34.3 Å²	34.3	6%	0.057	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	164.6	174.1	70.4	-78.4	0	0	0	110.6	L782 M787 Y789 Q807 F809 I829	F780-L782 HydrophobicContact CD2-CB 4.16Å; F780-L782 HydrophobicContact CE2-CB 3.86Å; F780-L782 HydrophobicContact CE2-CD2 4.4Å; F780-M787 HydrophobicContact CD1-CB 3.93Å; F780-M787 HydrophobicContact CD2-CB 4.34Å; F780-M787 HydrophobicContact CE1-CB 3.48Å; F780-M787 VanDerWaalsContact CE1-CB 3.48Å; F780-M787 HydrophobicContact CE2-CB 3.93Å; F780-M787 HydrophobicContact CE2-CG 4.36Å; F780-M787 HydrophobicContact CE2-SD 3.81Å; F780-M787 HydrophobicContact CG-CB 4.36Å; F780-M787 HydrophobicContact CZ-CB 3.49Å; F780-M787 VanDerWaalsContact CZ-CB 3.49Å; F780-M787 HydrophobicContact CZ-CE 3.91Å; F780-M787 HydrophobicContact CZ-CG 4.15Å; F780-M787 HydrophobicContact CZ-SD 3.64Å; F780-M787 PolarHBondContact N-O 2.93Å; F780-M787 PolarHBondContact O-N 3.46Å; F780-Y789 HydrophobicContact CE1-CD2 4.18Å; F780-Q807 HydrophobicContact CB-CG 4.28Å; F780-Q807 HydrophobicContact CD2-CG 3.8Å; F780-Q807 HydrophobicContact CE2-CG 4.4Å; F780-Q807 HydrophobicContact CG-CG 4.2Å; F780-F809 HydrophobicContact CB-CE1 3.96Å; F780-F809 HydrophobicContact CB-CZ 4.09Å; F780-F809 AromaticContact CD1-CE1 3.6Å; F780-F809 HydrophobicContact CD1-CE1 3.6Å; F780-F809 AromaticContact CD1-CZ 3.5Å; F780-F809 HydrophobicContact CD1-CZ 3.5Å; F780-F809 VanDerWaalsContact CD1-CZ 3.5Å; F780-F809 HydrophobicContact CE1-CE1 4.38Å; F780-F809 AromaticContact CE1-CZ 3.99Å; F780-F809 HydrophobicContact CE1-CZ 3.99Å; F780-F809 HydrophobicContact CG-CE1 4.04Å; F780-F809 AromaticContact CG-CZ 3.83Å; F780-F809 HydrophobicContact CG-CZ 3.83Å; F780-I829 HydrophobicContact CD2-CD1 4.37Å; F780-I829 HydrophobicContact CE2-CD1 3.84Å; F780-I829 HydrophobicContact CZ-CD1 3.93Å
781	T	89.2	Confident	90.9	Very high	88 Å²	88	34.2 Å²	34.2	54%	0.54	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	131	173.4	60.3	0	0	0	0	109.6	H785 D786 Q807	T781-H785 WeakPolarHBondContact CA-O 3.31Å; T781-D786 VanDerWaalsContact CG2-OD1 3.25Å; T781-D786 WeakPolarHBondContact CG2-OD1 3.31Å; T781-Q807 PolarHBondContact O-NE2 3.01Å; T781-Q807 VanDerWaalsContact O-NE2 3.17Å
782	L	87.2	Confident	90.7	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	129.1	174.1	-173.6	66.1	0	0	0	107.3	F780 N784 H785 M787 I805 L830 W863 L864 L881	F780-L782 HydrophobicContact CD2-CB 4.16Å; F780-L782 HydrophobicContact CE2-CB 3.86Å; F780-L782 HydrophobicContact CE2-CD2 4.4Å; L782-N784 VanDerWaalsContact C-N 3.25Å; L782-N784 PolarHBondContact O-N 2.82Å; L782-N784 VanDerWaalsContact O-N 3.14Å; L782-H785 PolarHBondContact N-O 2.97Å; L782-H785 WeakPolarHBondContact O-CB 3.03Å; L782-H785 PolarHBondContact O-N 3.18Å; L782-M787 HydrophobicContact CB-SD 4.28Å; L782-M787 HydrophobicContact CD2-SD 4.48Å; L782-I805 HydrophobicContact CD1-CG2 3.99Å; L782-L830 HydrophobicContact CD2-CD2 4.36Å; L782-W863 HydrophobicContact CB-CH2 3.98Å; L782-W863 HydrophobicContact CB-CZ2 4.05Å; L782-W863 HydrophobicContact CD2-CH2 3.81Å; L782-W863 HydrophobicContact CD2-CZ2 4.31Å; L782-W863 HydrophobicContact CG-CH2 3.8Å; L782-W863 HydrophobicContact CG-CZ2 4.35Å; L782-W863 WeakPolarHBondContact O-CZ2 3.37Å; L782-L864 HydrophobicContact CD2-CD1 4.31Å; L782-L881 HydrophobicContact CD1-CD2 4.26Å; L782-L881 HydrophobicContact CD2-CD2 3.87Å; L782-L881 HydrophobicContact CG-CD2 4.1Å
783	A	83.2	Confident	90.7	Very high	26 Å²	26	34 Å²	34	22%	0.215	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	27.8	177.8	0	0	0	0	0	116.2	H785 W863	A783-H785 VanDerWaalsContact C-N 3.28Å; A783-H785 PolarHBondContact O-CD2 2.63Å; A783-W863 HydrophobicContact CB-CH2 3.73Å; A783-W863 HydrophobicContact CB-CZ3 3.81Å
784	N	84.2	Confident	90.8	Very high	153 Å²	153	31.9 Å²	31.9	82%	0.818	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.9	23	-170.7	-50.1	-46.8	0	0	0	114.8	L782	L782-N784 VanDerWaalsContact C-N 3.25Å; L782-N784 PolarHBondContact O-N 2.82Å; L782-N784 VanDerWaalsContact O-N 3.14Å
785	H	88	Confident	91	Very high	63 Å²	63	31.4 Å²	31.4	29%	0.292	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	132.5	170.1	-68.5	-96.6	0	0	0	109.2	T781 L782 A783 W863	T781-H785 WeakPolarHBondContact CA-O 3.31Å; L782-H785 PolarHBondContact N-O 2.97Å; L782-H785 WeakPolarHBondContact O-CB 3.03Å; L782-H785 PolarHBondContact O-N 3.18Å; A783-H785 VanDerWaalsContact C-N 3.28Å; A783-H785 PolarHBondContact O-CD2 2.63Å; H785-W863 HydrophobicContact CB-CD2 4.06Å; H785-W863 VanDerWaalsContact CB-CE2 3.42Å; H785-W863 HydrophobicContact CB-CG 4.37Å; H785-W863 HydrophobicContact CB-CZ2 3.68Å; H785-W863 AromaticContact CD2-CD2 3.99Å; H785-W863 AromaticContact CG-CD1 3.96Å; H785-W863 AromaticContact CG-CD2 3.82Å; H785-W863 AromaticContact CG-CE2 3.73Å; H785-W863 AromaticContact CG-CG 3.97Å; H785-W863 AromaticContact CG-NE1 3.81Å; H785-W863 AromaticContact ND1-CD1 3.84Å; H785-W863 AromaticContact ND1-CG 3.85Å
786	D	91.1	Very high	91.1	Very high	108 Å²	108	31.3 Å²	31.3	58%	0.578	17%	0.167	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	126	175.3	-59.4	-23.5	0	0	0	108.6	T781 K859	T781-D786 VanDerWaalsContact CG2-OD1 3.25Å; T781-D786 WeakPolarHBondContact CG2-OD1 3.31Å; D786-K859 HydrophobicContact CB-CD 4.44Å
787	M	91.4	Very high	91	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	164.8	-179.6	-65.6	-170.9	69.3	0	0	110.3	E779 F780 L782 C861 W863 L864	E779-M787 WeakPolarHBondContact CA-O 3.41Å; F780-M787 HydrophobicContact CD1-CB 3.93Å; F780-M787 HydrophobicContact CD2-CB 4.34Å; F780-M787 HydrophobicContact CE1-CB 3.48Å; F780-M787 VanDerWaalsContact CE1-CB 3.48Å; F780-M787 HydrophobicContact CE2-CB 3.93Å; F780-M787 HydrophobicContact CE2-CG 4.36Å; F780-M787 HydrophobicContact CE2-SD 3.81Å; F780-M787 HydrophobicContact CG-CB 4.36Å; F780-M787 HydrophobicContact CZ-CB 3.49Å; F780-M787 VanDerWaalsContact CZ-CB 3.49Å; F780-M787 HydrophobicContact CZ-CE 3.91Å; F780-M787 HydrophobicContact CZ-CG 4.15Å; F780-M787 HydrophobicContact CZ-SD 3.64Å; F780-M787 PolarHBondContact N-O 2.93Å; F780-M787 PolarHBondContact O-N 3.46Å; L782-M787 HydrophobicContact CB-SD 4.28Å; L782-M787 HydrophobicContact CD2-SD 4.48Å; M787-C861 HydrophobicContact CE-CB 3.41Å; M787-C861 VanDerWaalsContact CE-CB 3.41Å; M787-W863 HydrophobicContact CG-CZ2 4.09Å; M787-W863 HydrophobicContact SD-CH2 4.33Å; M787-W863 HydrophobicContact SD-CZ2 3.33Å; M787-W863 WeakPolarHBondContact SD-CZ2 3.36Å; M787-L864 HydrophobicContact CE-CB 4.4Å; M787-L864 HydrophobicContact CE-CD2 3.85Å; M787-L864 HydrophobicContact SD-CD2 4.44Å
788	Y	92.9	Very high	91.1	Very high	16 Å²	16	33.5 Å²	33.5	6%	0.063	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	128.3	172.2	-170.4	-101.1	0	0	0	108.2	E777 E779 A790 Q858	E777-Y788 HydrophobicContact CG-CE1 4.33Å; E777-Y788 WeakPolarHBondContact CG-OH 3.23Å; E777-Y788 PolarHBondContact OE1-OH 3.36Å; E779-Y788 HydrophobicContact CG-CD2 3.64Å; E779-Y788 HydrophobicContact CG-CE2 4.17Å; Y788-A790 HydrophobicContact CD1-CB 3.79Å; Y788-A790 HydrophobicContact CE1-CB 3.86Å; Y788-Q858 HydrophobicContact CD1-CB 4.36Å; Y788-Q858 HydrophobicContact CD1-CG 4.42Å; Y788-Q858 VanDerWaalsContact CE1-OE1 3.28Å; Y788-Q858 HydrophobicContact CG-CB 4.48Å; Y788-Q858 VanDerWaalsContact CZ-OE1 3.24Å
789	Y	92.5	Very high	91.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	111.5	172.7	-154	-108.8	0	0	0	108.1	E777 G778 F780 C793 F809 I829 Y846 G847 D848	E777-Y789 WeakPolarHBondContact CA-O 3.15Å; G778-Y789 PolarHBondContact N-O 2.72Å; G778-Y789 VanDerWaalsContact N-O 3.12Å; G778-Y789 PolarHBondContact O-N 2.85Å; F780-Y789 HydrophobicContact CE1-CD2 4.18Å; Y789-C793 PolarHBondContact OH-O 2.64Å; Y789-F809 HydrophobicContact CD1-CD2 4.44Å; Y789-F809 HydrophobicContact CD1-CE2 4.21Å; Y789-F809 HydrophobicContact CD1-CZ 4.36Å; Y789-F809 HydrophobicContact CD2-CZ 4.34Å; Y789-F809 HydrophobicContact CG-CE1 4.26Å; Y789-F809 HydrophobicContact CG-CE2 4.12Å; Y789-F809 AromaticContact CG-CZ 3.86Å; Y789-F809 HydrophobicContact CG-CZ 3.86Å; Y789-I829 HydrophobicContact CD2-CG2 4.44Å; Y789-I829 HydrophobicContact CE1-CG2 4.06Å; Y789-I829 HydrophobicContact CE2-CB 3.99Å; Y789-I829 HydrophobicContact CE2-CG2 3.88Å; Y789-Y846 HydrophobicContact CD2-CE2 4.49Å; Y789-Y846 WeakPolarHBondContact CD2-OH 3.49Å; Y789-Y846 HydrophobicContact CE2-CE1 4.32Å; Y789-Y846 HydrophobicContact CE2-CE2 4.03Å; Y789-Y846 AromaticContact CE2-CZ 3.8Å; Y789-G847 WeakPolarHBondContact OH-CA 3.3Å; Y789-G847 PolarHBondContact OH-N 3.29Å; Y789-G847 PolarHBondContact OH-O 2.95Å; Y789-D848 VanDerWaalsContact CA-OD2 3.29Å; Y789-D848 WeakPolarHBondContact CA-OD2 3.46Å; Y789-D848 HydrophobicContact CD2-CB 3.72Å; Y789-D848 HydrophobicContact CE2-CB 3.46Å; Y789-D848 VanDerWaalsContact CE2-CB 3.46Å; Y789-D848 HydrophobicContact CG-CB 4.35Å
790	A	90.8	Very high	90.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	85.7	-167.7	0	0	0	0	0	112.6	N644 Y788 G792 D848 N850	N644-A790 HydrophobicContact CB-CB 4.49Å; Y788-A790 HydrophobicContact CD1-CB 3.79Å; Y788-A790 HydrophobicContact CE1-CB 3.86Å; A790-G792 VanDerWaalsContact C-N 3.3Å; A790-G792 PolarHBondContact O-N 3.29Å; A790-D848 PolarHBondContact N-OD2 2.78Å; A790-N850 HydrophobicContact CB-CB 3.9Å
791	S	90.6	Very high	90.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	61.4	40.1	177.4	-36.5	0	0	0	0	111.7	D643 N644 L645 W728 L775 Y776 Q812	D643-S791 WeakPolarHBondContact O-CB 3.46Å; N644-S791 PolarHBondContact OD1-OG 3.32Å; L645-S791 PolarHBondContact N-OG 3.31Å; W728-S791 VanDerWaalsContact CB-O 3.24Å; W728-S791 WeakPolarHBondContact CB-O 3.24Å; L775-S791 VanDerWaalsContact CD1-O 3.26Å; L775-S791 WeakPolarHBondContact CD1-O 3.44Å; Y776-S791 CarbonylContact O-C 3.57Å; Y776-S791 WeakPolarHBondContact O-CA 3.28Å; Y776-S791 PolarHBondContact O-N 2.86Å; S791-Q812 PolarHBondContact OG-NE2 3.09Å; S791-Q812 PolarHBondContact OG-OE1 3.43Å
792	G	91.4	Very high	90.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	159.7	-176	0	0	0	0	0	113.8	Y776 A790 G847	Y776-G792 PolarHBondContact N-O 3.27Å; Y776-G792 PolarHBondContact O-N 3.04Å; Y776-G792 VanDerWaalsContact O-N 3.08Å; A790-G792 VanDerWaalsContact C-N 3.3Å; A790-G792 PolarHBondContact O-N 3.29Å; G792-G847 CarbonylContact C-O 3.51Å; G792-G847 WeakPolarHBondContact CA-O 3.21Å
793	C	93.3	Very high	90.7	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.007	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	158.5	174.9	70.8	0	0	0	0	112.5	D727 F771 G774 Y789 G847	D727-C793 PolarHBondContact O-SG 3.42Å; F771-C793 WeakPolarHBondContact CD1-SG 3.32Å; G774-C793 VanDerWaalsContact O-CA 3.28Å; G774-C793 WeakPolarHBondContact O-CA 3.49Å; Y789-C793 PolarHBondContact OH-O 2.64Å; C793-G847 PolarHBondContact N-O 2.81Å
794	S	94.3	Very high	91.1	Very high	5 Å²	5	37.4 Å²	37.4	4%	0.035	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	167.3	171.3	73.1	0	0	0	0	112.8	F771 S772 Y776 P828	F771-S794 CarbonylContact C-O 3.53Å; F771-S794 VanDerWaalsContact CA-O 3.32Å; F771-S794 WeakPolarHBondContact CA-O 3.39Å; S772-S794 PolarHBondContact N-O 3.26Å; S772-S794 PolarHBondContact OG-O 2.77Å; S772-S794 PolarHBondContact OG-OG 2.92Å; Y776-S794 WeakPolarHBondContact CE2-OG 3.41Å; S794-P828 CarbonylContact C-O 3.15Å; S794-P828 WeakPolarHBondContact CA-O 3.23Å; S794-P828 WeakPolarHBondContact CB-O 3.47Å
795	I	94.7	Very high	91.5	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	118.2	177	-56.6	171.7	0	0	0	109.7	F771 K797 F798 P828 L845 P891	F771-I795 HydrophobicContact CD1-CG1 4.2Å; F771-I795 HydrophobicContact CE1-CG1 4.2Å; I795-K797 WeakPolarHBondContact CG2-O 3.49Å; I795-F798 HydrophobicContact CG2-CB 4.04Å; I795-F798 HydrophobicContact CG2-CD2 4.06Å; I795-F798 HydrophobicContact CG2-CG 4.41Å; I795-P828 HydrophobicContact CB-CB 4.2Å; I795-P828 HydrophobicContact CB-CG 4.32Å; I795-P828 PolarHBondContact N-O 2.87Å; I795-P828 WeakPolarHBondContact O-CG 3.23Å; I795-L845 HydrophobicContact CD1-CB 4.09Å; I795-P891 HydrophobicContact CG2-CG 4.39Å; I795-P891 WeakPolarHBondContact O-CG 3.48Å
796	A	93.3	Very high	91.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-40.8	179.2	0	0	0	0	0	113	G770 P891 G893 T898	G770-A796 PolarHBondContact O-N 2.93Å; A796-P891 WeakPolarHBondContact O-CB 3.11Å; A796-G893 VanDerWaalsContact O-CA 3.3Å; A796-G893 WeakPolarHBondContact O-CA 3.32Å; A796-G893 PolarHBondContact O-N 3.2Å; A796-T898 HydrophobicContact CB-CG2 4.28Å
797	K	93.7	Very high	91.7	Very high	76 Å²	76	23.2 Å²	23.2	33%	0.33	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	133.6	-176.2	-70	178.3	-176.2	174.6	0	109.6	M769 G770 I795	M769-K797 WeakPolarHBondContact CA-O 3.34Å; G770-K797 PolarHBondContact N-O 3.37Å; G770-K797 PolarHBondContact O-N 3.14Å; I795-K797 WeakPolarHBondContact CG2-O 3.49Å
798	F	94.2	Very high	91.8	Very high	3 Å²	3	26.2 Å²	26.2	1%	0.013	14%	0.135	C	C	.	.			trans	-152.4	145.5	174.6	-153.8	-104.7	0	0	0	110.8	M769 I795 V804 G831 L845 P890 P891	M769-F798 HydrophobicContact CE-CD2 4.49Å; M769-F798 HydrophobicContact CE-CE2 3.94Å; M769-F798 HydrophobicContact CE-CZ 4.17Å; M769-F798 HydrophobicContact CG-CD2 3.91Å; M769-F798 HydrophobicContact CG-CE2 4.11Å; M769-F798 HydrophobicContact SD-CD2 4.27Å; M769-F798 HydrophobicContact SD-CE2 3.84Å; I795-F798 HydrophobicContact CG2-CB 4.04Å; I795-F798 HydrophobicContact CG2-CD2 4.06Å; I795-F798 HydrophobicContact CG2-CG 4.41Å; F798-V804 HydrophobicContact CB-CG2 4.06Å; F798-V804 HydrophobicContact CD1-CG2 3.44Å; F798-V804 VanDerWaalsContact CD1-CG2 3.44Å; F798-V804 HydrophobicContact CE1-CG2 4.06Å; F798-V804 HydrophobicContact CG-CG2 3.87Å; F798-G831 VanDerWaalsContact CZ-C 3.48Å; F798-L845 HydrophobicContact CD2-CD1 4Å; F798-L845 HydrophobicContact CE2-CD1 3.83Å; F798-L845 HydrophobicContact CE2-CG 4.12Å; F798-P890 HydrophobicContact CB-CB 4.14Å; F798-P890 HydrophobicContact CD1-CB 4.33Å; F798-P891 HydrophobicContact CB-CG 4.37Å; F798-P891 PolarHBondContact N-O 2.88Å
799	P	93	Very high	91.9	Very high	13 Å²	13	25.7 Å²	25.7	8%	0.084	13%	0.133	C	C	.	.			trans	-56.8	143	179	-28.2	35.3	0	0	0	113.5	W767 M769 D801 G802 Y833 P890	W767-P799 WeakPolarHBondContact O-CG 3.12Å; M769-P799 HydrophobicContact CE-CG 3.71Å; M769-P799 HydrophobicContact CG-CG 4.21Å; P799-D801 VanDerWaalsContact C-N 3.28Å; P799-D801 PolarHBondContact O-N 3.26Å; P799-G802 WeakPolarHBondContact O-CA 3.46Å; P799-G802 PolarHBondContact O-N 3.47Å; P799-Y833 HydrophobicContact CB-CD2 3.82Å; P799-Y833 HydrophobicContact CB-CE2 3.45Å; P799-Y833 VanDerWaalsContact CB-CE2 3.45Å; P799-Y833 HydrophobicContact CG-CD1 4.37Å; P799-Y833 HydrophobicContact CG-CD2 3.97Å; P799-Y833 HydrophobicContact CG-CE1 4.19Å; P799-Y833 HydrophobicContact CG-CE2 3.84Å; P799-Y833 HydrophobicContact CG-CG 4.24Å; P799-P890 WeakPolarHBondContact O-CB 3.35Å; P799-P890 WeakPolarHBondContact O-CG 3.27Å
800	E	87.3	Confident	91.9	Very high	168 Å²	168	30.2 Å²	30.2	79%	0.785	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-33.1	-176.5	-63.7	-169.7	167.2	0	0	113.8	G802 P890	E800-G802 PolarHBondContact O-N 3.12Å; E800-P890 WeakPolarHBondContact O-CG 3.08Å
801	D	87.2	Confident	92	Very high	147 Å²	147	32 Å²	32	79%	0.786	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-3.2	177.4	-61.9	-36.7	0	0	0	113.1	P799	P799-D801 VanDerWaalsContact C-N 3.28Å; P799-D801 PolarHBondContact O-N 3.26Å
802	G	88.1	Confident	91.9	Very high	5 Å²	5	32.2 Å²	32.2	5%	0.052	16%	0.163	C	C	.	.	S	Bend	trans	-74	162.9	178.5	0	0	0	0	0	114	P799 E800 P890	P799-G802 WeakPolarHBondContact O-CA 3.46Å; P799-G802 PolarHBondContact O-N 3.47Å; E800-G802 PolarHBondContact O-N 3.12Å; G802-P890 WeakPolarHBondContact O-CG 3.24Å
803	V	89.9	Confident	91.7	Very high	24 Å²	24	32.4 Å²	32.4	15%	0.145	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	121.7	170.5	-174.2	0	0	0	0	108.6	G831 L832 R887	V803-G831 CarbonylContact O-C 3.56Å; V803-G831 WeakPolarHBondContact O-CA 3Å; V803-L832 HydrophobicContact CB-CB 4.16Å; V803-L832 PolarHBondContact N-O 3.49Å; V803-L832 PolarHBondContact O-N 3.18Å; V803-R887 HydrophobicContact CG1-CG 4.25Å
804	V	91.6	Very high	91.5	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	131.2	174	179.4	0	0	0	0	110.1	F798 T806 P828 L830 R887 Q888 P890	F798-V804 HydrophobicContact CB-CG2 4.06Å; F798-V804 HydrophobicContact CD1-CG2 3.44Å; F798-V804 VanDerWaalsContact CD1-CG2 3.44Å; F798-V804 HydrophobicContact CE1-CG2 4.06Å; F798-V804 HydrophobicContact CG-CG2 3.87Å; V804-T806 HydrophobicContact CG1-CG2 4.44Å; V804-P828 HydrophobicContact CG1-CB 3.51Å; V804-L830 WeakPolarHBondContact CA-O 3.29Å; V804-R887 WeakPolarHBondContact O-CA 3.32Å; V804-Q888 PolarHBondContact O-N 3.34Å; V804-Q888 VanDerWaalsContact O-N 3.1Å; V804-P890 HydrophobicContact CG2-CB 4.06Å; V804-P890 HydrophobicContact CG2-CG 4.14Å
805	I	91.8	Very high	91.2	Very high	1 Å²	1	37 Å²	37	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	128.1	175.3	-65.5	164	0	0	0	108.4	L782 I829 L830 L881	L782-I805 HydrophobicContact CD1-CG2 3.99Å; I805-I829 PolarHBondContact O-N 3.02Å; I805-L830 HydrophobicContact CB-CB 4.27Å; I805-L830 HydrophobicContact CD1-CD2 3.87Å; I805-L830 HydrophobicContact CD1-CG 4.39Å; I805-L830 PolarHBondContact N-O 2.88Å; I805-L830 PolarHBondContact O-N 3.26Å; I805-L881 HydrophobicContact CD1-CB 4.38Å; I805-L881 HydrophobicContact CD1-CD2 3.88Å
806	T	92.1	Very high	90.8	Very high	5 Å²	5	38.7 Å²	38.7	3%	0.031	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	155.1	-179.9	62.8	0	0	0	0	111.8	V804 V827 P828 N886 Q888	V804-T806 HydrophobicContact CG1-CG2 4.44Å; T806-V827 CarbonylContact C-O 3.56Å; T806-V827 WeakPolarHBondContact CA-O 3.32Å; T806-P828 HydrophobicContact CG2-CB 4.14Å; T806-N886 PolarHBondContact N-O 2.99Å; T806-N886 WeakPolarHBondContact O-CB 3.47Å; T806-N886 PolarHBondContact OG1-O 3.34Å; T806-N886 VanDerWaalsContact OG1-O 3.1Å; T806-Q888 HydrophobicContact CG2-CB 3.86Å; T806-Q888 HydrophobicContact CG2-CG 3.82Å; T806-Q888 WeakPolarHBondContact OG1-CG 3.28Å
807	Q	92.3	Very high	90.5	Very high	20 Å²	20	41.7 Å²	41.7	9%	0.093	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	165.2	173.2	-70.3	-65.6	5	0	0	111	F780 T781 F809 N826 V827 I829 N886	F780-Q807 HydrophobicContact CB-CG 4.28Å; F780-Q807 HydrophobicContact CD2-CG 3.8Å; F780-Q807 HydrophobicContact CE2-CG 4.4Å; F780-Q807 HydrophobicContact CG-CG 4.2Å; T781-Q807 PolarHBondContact O-NE2 3.01Å; T781-Q807 VanDerWaalsContact O-NE2 3.17Å; Q807-F809 HydrophobicContact CB-CD2 4.12Å; Q807-F809 HydrophobicContact CB-CE1 4.48Å; Q807-F809 HydrophobicContact CB-CE2 3.4Å; Q807-F809 VanDerWaalsContact CB-CE2 3.4Å; Q807-F809 HydrophobicContact CB-CZ 3.62Å; Q807-F809 HydrophobicContact CG-CE2 4.34Å; Q807-F809 HydrophobicContact CG-CZ 4.25Å; Q807-N826 PolarHBondContact O-N 2.97Å; Q807-V827 PolarHBondContact N-O 3.46Å; Q807-V827 WeakPolarHBondContact O-CB 3.29Å; Q807-V827 PolarHBondContact O-N 3.19Å; Q807-I829 HydrophobicContact CB-CD1 4.07Å; Q807-I829 HydrophobicContact CG-CD1 3.53Å; Q807-I829 HydrophobicContact CG-CG1 4.26Å; Q807-N886 PolarHBondContact NE2-ND2 2.94Å; Q807-N886 PolarHBondContact OE1-ND2 3.28Å
808	T	93.3	Very high	90.2	Very high	65 Å²	65	44.4 Å²	44.4	40%	0.399	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	125.1	176.4	-61	0	0	0	0	109.5	V823 V824 E825	T808-V823 HydrophobicContact CG2-CG1 3.44Å; T808-V823 VanDerWaalsContact CG2-CG1 3.44Å; T808-V824 WeakPolarHBondContact CA-O 3.36Å; T808-E825 HydrophobicContact CG2-CB 4.49Å; T808-E825 HydrophobicContact CG2-CG 3.91Å
809	F	94.6	Very high	89.7	Confident	4 Å²	4	52.3 Å²	52.3	2%	0.018	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	168	-176.7	-69.9	-59.6	0	0	0	112.5	Y776 G778 F780 Y789 Q807 V823 V824 V827 I829	Y776-F809 HydrophobicContact CD1-CB 4.37Å; Y776-F809 HydrophobicContact CG-CB 4.47Å; G778-F809 WeakPolarHBondContact O-CE1 3.32Å; F780-F809 HydrophobicContact CB-CE1 3.96Å; F780-F809 HydrophobicContact CB-CZ 4.09Å; F780-F809 AromaticContact CD1-CE1 3.6Å; F780-F809 HydrophobicContact CD1-CE1 3.6Å; F780-F809 AromaticContact CD1-CZ 3.5Å; F780-F809 HydrophobicContact CD1-CZ 3.5Å; F780-F809 VanDerWaalsContact CD1-CZ 3.5Å; F780-F809 HydrophobicContact CE1-CE1 4.38Å; F780-F809 AromaticContact CE1-CZ 3.99Å; F780-F809 HydrophobicContact CE1-CZ 3.99Å; F780-F809 HydrophobicContact CG-CE1 4.04Å; F780-F809 AromaticContact CG-CZ 3.83Å; F780-F809 HydrophobicContact CG-CZ 3.83Å; Y789-F809 HydrophobicContact CD1-CD2 4.44Å; Y789-F809 HydrophobicContact CD1-CE2 4.21Å; Y789-F809 HydrophobicContact CD1-CZ 4.36Å; Y789-F809 HydrophobicContact CD2-CZ 4.34Å; Y789-F809 HydrophobicContact CG-CE1 4.26Å; Y789-F809 HydrophobicContact CG-CE2 4.12Å; Y789-F809 AromaticContact CG-CZ 3.86Å; Y789-F809 HydrophobicContact CG-CZ 3.86Å; Q807-F809 HydrophobicContact CB-CD2 4.12Å; Q807-F809 HydrophobicContact CB-CE1 4.48Å; Q807-F809 HydrophobicContact CB-CE2 3.4Å; Q807-F809 VanDerWaalsContact CB-CE2 3.4Å; Q807-F809 HydrophobicContact CB-CZ 3.62Å; Q807-F809 HydrophobicContact CG-CE2 4.34Å; Q807-F809 HydrophobicContact CG-CZ 4.25Å; F809-V823 CarbonylContact O-C 3.58Å; F809-V823 WeakPolarHBondContact O-CA 3.41Å; F809-V824 PolarHBondContact N-O 3.47Å; F809-V824 PolarHBondContact O-N 2.9Å; F809-V827 HydrophobicContact CD2-CB 4.09Å; F809-V827 HydrophobicContact CD2-CG1 4.3Å; F809-V827 HydrophobicContact CD2-CG2 4.48Å; F809-I829 HydrophobicContact CD2-CG2 4.23Å; F809-I829 HydrophobicContact CE2-CD1 4.11Å; F809-I829 HydrophobicContact CE2-CG2 3.54Å; F809-I829 HydrophobicContact CZ-CD1 4.19Å; F809-I829 HydrophobicContact CZ-CG2 4.49Å
810	K	92.9	Very high	89.3	Confident	95 Å²	95	57 Å²	57	41%	0.413	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	139.6	166.8	-62.2	179	-178.2	179.1	0	109.3	Y776 E777 Q812 A822 V823	Y776-K810 WeakPolarHBondContact CA-O 3.23Å; E777-K810 PolarHBondContact N-O 2.86Å; E777-K810 WeakPolarHBondContact O-CB 3.22Å; E777-K810 PolarHBondContact O-N 2.86Å; K810-Q812 PolarHBondContact O-N 2.81Å; K810-A822 CarbonylContact C-O 3.54Å; K810-A822 WeakPolarHBondContact CA-O 3.5Å; K810-V823 HydrophobicContact CG-CG2 4.46Å
811	D	92.3	Very high	89.1	Confident	39 Å²	39	54 Å²	54	21%	0.209	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	97.4	170.7	-173.2	-23.2	0	0	0	109.1	G813 L814 E815 A822 V824	D811-G813 VanDerWaalsContact C-N 3.32Å; D811-G813 WeakPolarHBondContact OD1-CA 3.38Å; D811-G813 PolarHBondContact OD1-N 2.92Å; D811-L814 HydrophobicContact CB-CB 4.11Å; D811-L814 PolarHBondContact OD1-N 3.23Å; D811-E815 PolarHBondContact O-N 3.3Å; D811-A822 HydrophobicContact CB-CB 4.36Å; D811-A822 PolarHBondContact N-O 3.28Å; D811-V824 HydrophobicContact CB-CG2 4.04Å
812	Q	89.3	Confident	89.3	Confident	3 Å²	3	48.5 Å²	48.5	1%	0.014	25%	0.252	C	S	.	.	H	α-helix	trans	-77.2	-23.9	-179.2	-168.9	-161.5	53.9	0	0	111	L775 E777 S791 K810 E815 V816	L775-Q812 HydrophobicContact CD2-CB 4.3Å; L775-Q812 HydrophobicContact CD2-CG 4.44Å; L775-Q812 HydrophobicContact CG-CB 4.12Å; L775-Q812 PolarHBondContact O-N 2.78Å; E777-Q812 HydrophobicContact CB-CB 3.99Å; E777-Q812 HydrophobicContact CB-CG 4.36Å; E777-Q812 VanDerWaalsContact CD-NE2 3.26Å; E777-Q812 PolarHBondContact OE2-NE2 3.36Å; E777-Q812 VanDerWaalsContact OE2-NE2 3.08Å; S791-Q812 PolarHBondContact OG-NE2 3.09Å; S791-Q812 PolarHBondContact OG-OE1 3.43Å; K810-Q812 PolarHBondContact O-N 2.81Å; Q812-E815 PolarHBondContact O-N 3.38Å; Q812-V816 HydrophobicContact CG-CG2 4.35Å; Q812-V816 WeakPolarHBondContact O-CB 3.29Å; Q812-V816 VanDerWaalsContact O-CG2 3.29Å; Q812-V816 WeakPolarHBondContact O-CG2 3.48Å; Q812-V816 PolarHBondContact O-N 3.33Å
813	G	87.4	Confident	89.4	Confident	5 Å²	5	52.9 Å²	52.9	5%	0.052	28%	0.277	C	S	.	.	H	α-helix	trans	-61.4	-48.2	171.5	0	0	0	0	0	111.8	L775 D811 E815 V816 L817	L775-G813 PolarHBondContact O-N 2.94Å; D811-G813 VanDerWaalsContact C-N 3.32Å; D811-G813 WeakPolarHBondContact OD1-CA 3.38Å; D811-G813 PolarHBondContact OD1-N 2.92Å; G813-E815 VanDerWaalsContact C-N 3.35Å; G813-V816 PolarHBondContact O-N 2.95Å; G813-L817 VanDerWaalsContact O-CB 3.28Å; G813-L817 WeakPolarHBondContact O-CB 3.5Å; G813-L817 WeakPolarHBondContact O-CG 3.47Å; G813-L817 PolarHBondContact O-N 3.06Å
814	L	88.7	Confident	89.4	Confident	40 Å²	40	54 Å²	54	21%	0.209	28%	0.284	C	S	.	.	H	α-helix	trans	-63.3	-40.8	174.2	-163.7	82	0	0	0	111.7	D811 L817 K818 E820 A822	D811-L814 HydrophobicContact CB-CB 4.11Å; D811-L814 PolarHBondContact OD1-N 3.23Å; L814-L817 PolarHBondContact O-N 3.31Å; L814-K818 HydrophobicContact CD1-CD 3.72Å; L814-K818 HydrophobicContact CD1-CG 4.33Å; L814-K818 HydrophobicContact CG-CD 4.39Å; L814-K818 WeakPolarHBondContact O-CA 3.42Å; L814-K818 PolarHBondContact O-N 3.26Å; L814-E820 CarbonylContact C-O 3.57Å; L814-E820 HydrophobicContact CD2-CB 4.14Å; L814-E820 HydrophobicContact CG-CB 4.49Å; L814-A822 HydrophobicContact CD2-CB 3.54Å
815	E	87.8	Confident	89.3	Confident	61 Å²	61	60.5 Å²	60.5	29%	0.285	31%	0.314	S	S	.	.	H	α-helix	trans	-61.2	-47.9	177.1	-173.2	-179.6	163.2	0	0	111.1	D811 Q812 G813 L817 Q819 E820 T821	D811-E815 PolarHBondContact O-N 3.3Å; Q812-E815 PolarHBondContact O-N 3.38Å; G813-E815 VanDerWaalsContact C-N 3.35Å; E815-L817 PolarHBondContact O-N 3.49Å; E815-Q819 WeakPolarHBondContact O-CA 3.46Å; E815-Q819 PolarHBondContact O-N 3.06Å; E815-E820 VanDerWaalsContact CA-O 3.27Å; E815-E820 WeakPolarHBondContact CA-O 3.29Å; E815-E820 PolarHBondContact N-O 3.02Å; E815-T821 HydrophobicContact CG-CG2 4.35Å
816	V	86.4	Confident	89.2	Confident	38 Å²	38	64.1 Å²	64.1	23%	0.23	33%	0.334	C	S	.	.	H	α-helix	trans	-65.2	-42.6	178.5	172.8	0	0	0	0	110.3	V733 K736 Q812 G813	V733-V816 HydrophobicContact CG1-CG1 4.09Å; K736-V816 HydrophobicContact CD-CG1 4.19Å; K736-V816 WeakPolarHBondContact CD-O 3.3Å; K736-V816 WeakPolarHBondContact CE-O 3.15Å; K736-V816 PolarHBondContact NZ-O 3.04Å; Q812-V816 HydrophobicContact CG-CG2 4.35Å; Q812-V816 WeakPolarHBondContact O-CB 3.29Å; Q812-V816 VanDerWaalsContact O-CG2 3.29Å; Q812-V816 WeakPolarHBondContact O-CG2 3.48Å; Q812-V816 PolarHBondContact O-N 3.33Å; G813-V816 PolarHBondContact O-N 2.95Å
817	L	87.8	Confident	89.2	Confident	63 Å²	63	64 Å²	64	33%	0.33	33%	0.333	S	S	.	.	H	α-helix	trans	-77.4	-45.5	-174.9	-69.1	172.4	0	0	0	114.2	V733 K736 G813 L814 E815	V733-L817 HydrophobicContact CG2-CD1 4.35Å; V733-L817 HydrophobicContact CG2-CG 4.22Å; K736-L817 HydrophobicContact CB-CD2 4.28Å; K736-L817 HydrophobicContact CD-CD2 4.02Å; K736-L817 VanDerWaalsContact NZ-C 3.31Å; K736-L817 PolarHBondContact NZ-O 2.91Å; G813-L817 VanDerWaalsContact O-CB 3.28Å; G813-L817 WeakPolarHBondContact O-CB 3.5Å; G813-L817 WeakPolarHBondContact O-CG 3.47Å; G813-L817 PolarHBondContact O-N 3.06Å; L814-L817 PolarHBondContact O-N 3.31Å; E815-L817 PolarHBondContact O-N 3.49Å
818	K	87.3	Confident	89.2	Confident	132 Å²	132	64 Å²	64	57%	0.574	33%	0.334	S	S	*	.	H	α-helix	trans	-113.8	-6.3	-172.6	-61.6	-173.1	-173.1	171.4	0	114.7	L814 E820	L814-K818 HydrophobicContact CD1-CD 3.72Å; L814-K818 HydrophobicContact CD1-CG 4.33Å; L814-K818 HydrophobicContact CG-CD 4.39Å; L814-K818 WeakPolarHBondContact O-CA 3.42Å; L814-K818 PolarHBondContact O-N 3.26Å; K818-E820 HydrophobicContact CB-CB 4.29Å; K818-E820 HydrophobicContact CB-CG 4.17Å; K818-E820 PolarHBondContact O-N 3.3Å
819	Q	82.7	Confident	89.2	Confident	169 Å²	169	60.9 Å²	60.9	79%	0.79	32%	0.316	S	S	*	.	S	Bend	trans	59.6	22.9	-171	-57.7	179.9	-15	0	0	113.3	E815	E815-Q819 WeakPolarHBondContact O-CA 3.46Å; E815-Q819 PolarHBondContact O-N 3.06Å
820	E	85.2	Confident	89.2	Confident	111 Å²	111	60.8 Å²	60.8	52%	0.519	32%	0.315	S	S	.	.			trans	-106.1	134	176.5	-69.6	176.1	171.7	0	0	109.3	L814 E815 K818	L814-E820 CarbonylContact C-O 3.57Å; L814-E820 HydrophobicContact CD2-CB 4.14Å; L814-E820 HydrophobicContact CG-CB 4.49Å; E815-E820 VanDerWaalsContact CA-O 3.27Å; E815-E820 WeakPolarHBondContact CA-O 3.29Å; E815-E820 PolarHBondContact N-O 3.02Å; K818-E820 HydrophobicContact CB-CB 4.29Å; K818-E820 HydrophobicContact CB-CG 4.17Å; K818-E820 PolarHBondContact O-N 3.3Å
821	T	83.4	Confident	89.3	Confident	105 Å²	105	56.2 Å²	56.2	64%	0.644	30%	0.295	S	S	*	.			trans	-94.6	113.9	175.2	56.2	0	0	0	0	109.8	E815	E815-T821 HydrophobicContact CG-CG2 4.35Å
822	A	90	Very high	89.3	Confident	33 Å²	33	54.5 Å²	54.5	27%	0.273	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	147.4	168.9	0	0	0	0	0	110.2	K810 D811 L814	K810-A822 CarbonylContact C-O 3.54Å; K810-A822 WeakPolarHBondContact CA-O 3.5Å; D811-A822 HydrophobicContact CB-CB 4.36Å; D811-A822 PolarHBondContact N-O 3.28Å; L814-A822 HydrophobicContact CD2-CB 3.54Å
823	V	91.3	Very high	89.5	Confident	97 Å²	97	55.9 Å²	55.9	59%	0.588	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.1	128.2	173.3	179.6	0	0	0	0	107.7	T808 F809 K810	T808-V823 HydrophobicContact CG2-CG1 3.44Å; T808-V823 VanDerWaalsContact CG2-CG1 3.44Å; F809-V823 CarbonylContact O-C 3.58Å; F809-V823 WeakPolarHBondContact O-CA 3.41Å; K810-V823 HydrophobicContact CG-CG2 4.46Å
824	V	90.4	Very high	89.8	Confident	46 Å²	46	59.1 Å²	59.1	28%	0.279	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	121.4	178.4	-176.8	0	0	0	0	107.9	Y776 T808 F809 D811 V827	Y776-V824 HydrophobicContact CE1-CB 4.02Å; Y776-V824 HydrophobicContact CE1-CG1 4.2Å; Y776-V824 HydrophobicContact CE1-CG2 4.13Å; T808-V824 WeakPolarHBondContact CA-O 3.36Å; F809-V824 PolarHBondContact N-O 3.47Å; F809-V824 PolarHBondContact O-N 2.9Å; D811-V824 HydrophobicContact CB-CG2 4.04Å; V824-V827 HydrophobicContact CB-CG2 3.98Å; V824-V827 HydrophobicContact CG1-CG2 3.73Å
825	E	89.3	Confident	89.9	Confident	138 Å²	138	57.6 Å²	57.6	65%	0.645	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	154.1	175.4	-62.6	-176.4	175	0	0	110.7	T808 V827	T808-E825 HydrophobicContact CG2-CB 4.49Å; T808-E825 HydrophobicContact CG2-CG 3.91Å; E825-V827 PolarHBondContact O-N 3.38Å
826	N	89.2	Confident	89.9	Confident	77 Å²	77	60.2 Å²	60.2	41%	0.412	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	61.7	35.4	171.3	-51.8	-44.4	0	0	0	115.3	Q807 P828 Q888	Q807-N826 PolarHBondContact O-N 2.97Å; N826-P828 WeakPolarHBondContact O-CD 3.31Å; N826-Q888 PolarHBondContact OD1-NE2 3.12Å
827	V	91.6	Very high	89.7	Confident	2 Å²	2	60.4 Å²	60.4	1%	0.012	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	118.7	174.4	-178.8	0	0	0	0	110	Y776 T806 Q807 F809 V824 E825 I829	Y776-V827 HydrophobicContact CD1-CG1 4.17Å; Y776-V827 HydrophobicContact CD1-CG2 3.81Å; Y776-V827 HydrophobicContact CD2-CG1 3.5Å; Y776-V827 VanDerWaalsContact CD2-CG1 3.5Å; Y776-V827 HydrophobicContact CE1-CG1 4.26Å; Y776-V827 HydrophobicContact CE1-CG2 3.72Å; Y776-V827 HydrophobicContact CE2-CG1 3.6Å; Y776-V827 HydrophobicContact CG-CG1 3.78Å; Y776-V827 HydrophobicContact CG-CG2 4.25Å; T806-V827 CarbonylContact C-O 3.56Å; T806-V827 WeakPolarHBondContact CA-O 3.32Å; Q807-V827 PolarHBondContact N-O 3.46Å; Q807-V827 WeakPolarHBondContact O-CB 3.29Å; Q807-V827 PolarHBondContact O-N 3.19Å; F809-V827 HydrophobicContact CD2-CB 4.09Å; F809-V827 HydrophobicContact CD2-CG1 4.3Å; F809-V827 HydrophobicContact CD2-CG2 4.48Å; V824-V827 HydrophobicContact CB-CG2 3.98Å; V824-V827 HydrophobicContact CG1-CG2 3.73Å; E825-V827 PolarHBondContact O-N 3.38Å; V827-I829 HydrophobicContact CG1-CG2 4.15Å; V827-I829 PolarHBondContact O-N 3.38Å
828	P	93.3	Very high	89.3	Confident	20 Å²	20	67.1 Å²	67.1	13%	0.13	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	118.1	178.9	30.2	-34.4	0	0	0	111.2	S794 I795 V804 T806 N826 P891	S794-P828 CarbonylContact C-O 3.15Å; S794-P828 WeakPolarHBondContact CA-O 3.23Å; S794-P828 WeakPolarHBondContact CB-O 3.47Å; I795-P828 HydrophobicContact CB-CB 4.2Å; I795-P828 HydrophobicContact CB-CG 4.32Å; I795-P828 PolarHBondContact N-O 2.87Å; I795-P828 WeakPolarHBondContact O-CG 3.23Å; V804-P828 HydrophobicContact CG1-CB 3.51Å; T806-P828 HydrophobicContact CG2-CB 4.14Å; N826-P828 WeakPolarHBondContact O-CD 3.31Å; P828-P891 HydrophobicContact CG-CG 4.49Å
829	I	93.2	Very high	89	Confident	1 Å²	1	64 Å²	64	1%	0.005	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	-23.4	-173.8	57.1	165.1	0	0	0	114.9	F780 Y789 I805 Q807 F809 V827 Y846	F780-I829 HydrophobicContact CD2-CD1 4.37Å; F780-I829 HydrophobicContact CE2-CD1 3.84Å; F780-I829 HydrophobicContact CZ-CD1 3.93Å; Y789-I829 HydrophobicContact CD2-CG2 4.44Å; Y789-I829 HydrophobicContact CE1-CG2 4.06Å; Y789-I829 HydrophobicContact CE2-CB 3.99Å; Y789-I829 HydrophobicContact CE2-CG2 3.88Å; I805-I829 PolarHBondContact O-N 3.02Å; Q807-I829 HydrophobicContact CB-CD1 4.07Å; Q807-I829 HydrophobicContact CG-CD1 3.53Å; Q807-I829 HydrophobicContact CG-CG1 4.26Å; F809-I829 HydrophobicContact CD2-CG2 4.23Å; F809-I829 HydrophobicContact CE2-CD1 4.11Å; F809-I829 HydrophobicContact CE2-CG2 3.54Å; F809-I829 HydrophobicContact CZ-CD1 4.19Å; F809-I829 HydrophobicContact CZ-CG2 4.49Å; V827-I829 HydrophobicContact CG1-CG2 4.15Å; V827-I829 PolarHBondContact O-N 3.38Å; I829-Y846 HydrophobicContact CD1-CE2 4.45Å; I829-Y846 WeakPolarHBondContact O-CA 2.9Å; I829-Y846 WeakPolarHBondContact O-CD2 3.48Å
830	L	94.3	Very high	89.2	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.005	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	121.9	-177.8	174.6	59.7	0	0	0	109.9	L782 V804 I805 L832 V844 L845 Y846 L864 L868 L881	L782-L830 HydrophobicContact CD2-CD2 4.36Å; V804-L830 WeakPolarHBondContact CA-O 3.29Å; I805-L830 HydrophobicContact CB-CB 4.27Å; I805-L830 HydrophobicContact CD1-CD2 3.87Å; I805-L830 HydrophobicContact CD1-CG 4.39Å; I805-L830 PolarHBondContact N-O 2.88Å; I805-L830 PolarHBondContact O-N 3.26Å; L830-L832 HydrophobicContact CD1-CD2 4.14Å; L830-V844 HydrophobicContact CD1-CG1 3.85Å; L830-L845 WeakPolarHBondContact CA-O 3.48Å; L830-L845 WeakPolarHBondContact CD1-O 3.47Å; L830-Y846 HydrophobicContact CB-CD2 4.14Å; L830-Y846 HydrophobicContact CD1-CD2 4.28Å; L830-L864 HydrophobicContact CD2-CD1 4.01Å; L830-L868 HydrophobicContact CD1-CD2 4Å; L830-L868 HydrophobicContact CD2-CD2 4.46Å; L830-L881 HydrophobicContact CD2-CD2 4.17Å
831	G	94.4	Very high	89.6	Confident	0 Å²	0	51 Å²	51	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	133.1	176.1	0	0	0	0	0	111.3	F798 V803 V844 L845	F798-G831 VanDerWaalsContact CZ-C 3.48Å; V803-G831 CarbonylContact O-C 3.56Å; V803-G831 WeakPolarHBondContact O-CA 3Å; G831-V844 VanDerWaalsContact O-CA 3.31Å; G831-V844 WeakPolarHBondContact O-CA 3.44Å; G831-L845 PolarHBondContact N-O 3.41Å; G831-L845 PolarHBondContact O-N 2.93Å
832	L	93.5	Very high	90.2	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.016	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	126.1	172.5	-49.2	172.3	0	0	0	109.3	V803 L830 V844 L868 Y871 T877 L881	V803-L832 HydrophobicContact CB-CB 4.16Å; V803-L832 PolarHBondContact N-O 3.49Å; V803-L832 PolarHBondContact O-N 3.18Å; L830-L832 HydrophobicContact CD1-CD2 4.14Å; L832-V844 HydrophobicContact CD2-CB 4.31Å; L832-V844 HydrophobicContact CD2-CG1 3.88Å; L832-V844 HydrophobicContact CD2-CG2 3.67Å; L832-L868 HydrophobicContact CD2-CD2 3.83Å; L832-Y871 HydrophobicContact CB-CE1 3.93Å; L832-Y871 HydrophobicContact CD2-CD1 4.09Å; L832-Y871 HydrophobicContact CD2-CE1 4.2Å; L832-T877 HydrophobicContact CD1-CG2 4.24Å; L832-L881 HydrophobicContact CD1-CD1 4.41Å
833	Y	93.4	Very high	90.5	Very high	31 Å²	31	46.8 Å²	46.8	12%	0.122	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	137.2	-179.8	-173.8	-115.1	0	0	0	111.9	M769 P799 I835 R842 I843 Y871	M769-Y833 VanDerWaalsContact CE-CB 3.44Å; M769-Y833 HydrophobicContact CE-CD1 3.24Å; M769-Y833 HydrophobicContact CE-CD2 4.4Å; M769-Y833 HydrophobicContact CE-CE1 4.05Å; M769-Y833 HydrophobicContact CE-CG 3.45Å; M769-Y833 VanDerWaalsContact CE-CG 3.45Å; P799-Y833 HydrophobicContact CB-CD2 3.82Å; P799-Y833 HydrophobicContact CB-CE2 3.45Å; P799-Y833 VanDerWaalsContact CB-CE2 3.45Å; P799-Y833 HydrophobicContact CG-CD1 4.37Å; P799-Y833 HydrophobicContact CG-CD2 3.97Å; P799-Y833 HydrophobicContact CG-CE1 4.19Å; P799-Y833 HydrophobicContact CG-CE2 3.84Å; P799-Y833 HydrophobicContact CG-CG 4.24Å; Y833-I835 HydrophobicContact CD1-CD1 3.9Å; Y833-I835 HydrophobicContact CE1-CD1 3.66Å; Y833-R842 CarbonylContact O-C 3.58Å; Y833-R842 VanDerWaalsContact O-CA 3.31Å; Y833-R842 WeakPolarHBondContact O-CA 3.46Å; Y833-I843 PolarHBondContact N-O 2.87Å; Y833-I843 PolarHBondContact O-N 2.85Å; Y833-Y871 PolarHBondContact O-OH 2.82Å
834	Q	92.4	Very high	90.7	Very high	74 Å²	74	42.1 Å²	42.1	35%	0.346	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	125.4	173.6	171.2	64.5	62.7	0	0	107.8	G840 G841 Y871	Q834-G840 PolarHBondContact NE2-O 3.04Å; Q834-G841 PolarHBondContact NE2-O 3.22Å; Q834-Y871 PolarHBondContact N-OH 3.01Å
835	I	92.1	Very high	91	Very high	8 Å²	8	40 Å²	40	4%	0.041	23%	0.225	C	C	.	.			trans	-65.2	133.4	176.1	-59.7	-60.8	0	0	0	109.2	V716 Y833 A837 G841 I843	V716-I835 HydrophobicContact CG1-CD1 4.03Å; V716-I835 HydrophobicContact CG1-CG1 3.68Å; Y833-I835 HydrophobicContact CD1-CD1 3.9Å; Y833-I835 HydrophobicContact CE1-CD1 3.66Å; I835-A837 HydrophobicContact CG2-CB 3.9Å; I835-A837 PolarHBondContact O-N 3.18Å; I835-G841 WeakPolarHBondContact CB-O 3.11Å; I835-G841 VanDerWaalsContact CG1-O 3.3Å; I835-G841 WeakPolarHBondContact CG1-O 3.45Å; I835-G841 PolarHBondContact N-O 3.02Å; I835-I843 HydrophobicContact CD1-CD1 3.93Å; I835-I843 HydrophobicContact CD1-CG1 4.42Å
836	P	86.3	Confident	91.3	Very high	115 Å²	115	33.4 Å²	33.4	75%	0.747	20%	0.195	S	C	*	.	S	Bend	trans	-73.7	-0.6	-176.9	27.9	-34.9	0	0	0	114.6
837	A	83.2	Confident	91.6	Very high	43 Å²	43	29.8 Å²	29.8	36%	0.355	18%	0.175	S	C	.	.	S	Bend	trans	-71.4	148.1	173.9	0	0	0	0	0	111.7	I835 G839 G840	I835-A837 HydrophobicContact CG2-CB 3.9Å; I835-A837 PolarHBondContact O-N 3.18Å; A837-G839 PolarHBondContact O-N 3.03Å; A837-G839 VanDerWaalsContact O-N 3.09Å; A837-G840 PolarHBondContact O-N 2.88Å
838	E	78.8	Confident	91.7	Very high	204 Å²	204	29.7 Å²	29.7	95%	0.953	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	114	174.6	-72.6	-167.3	167.5	0	0	110.5	G840	E838-G840 PolarHBondContact O-N 2.99Å
839	G	80.3	Confident	91.6	Very high	67 Å²	67	28.7 Å²	28.7	69%	0.691	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.4	11.1	-175	0	0	0	0	0	114.5	G719 A837	G719-G839 WeakPolarHBondContact CA-O 3.47Å; A837-G839 PolarHBondContact O-N 3.03Å; A837-G839 VanDerWaalsContact O-N 3.09Å
840	G	88.2	Confident	91.5	Very high	5 Å²	5	28.8 Å²	28.8	5%	0.052	17%	0.169	C	C	.	.			trans	-59	153.7	177.1	0	0	0	0	0	113.2	Q834 A837 E838	Q834-G840 PolarHBondContact NE2-O 3.04Å; A837-G840 PolarHBondContact O-N 2.88Å; E838-G840 PolarHBondContact O-N 2.99Å
841	G	93.8	Very high	91.4	Very high	1 Å²	1	29 Å²	29	1%	0.01	17%	0.17	C	C	.	.			trans	-68.7	179.4	-178.6	0	0	0	0	0	113.8	V716 L720 Q834 I835	V716-G841 WeakPolarHBondContact O-CA 3.48Å; V716-G841 PolarHBondContact O-N 3.24Å; L720-G841 WeakPolarHBondContact O-CA 3.25Å; Q834-G841 PolarHBondContact NE2-O 3.22Å; I835-G841 WeakPolarHBondContact CB-O 3.11Å; I835-G841 VanDerWaalsContact CG1-O 3.3Å; I835-G841 WeakPolarHBondContact CG1-O 3.45Å; I835-G841 PolarHBondContact N-O 3.02Å
842	R	94.9	Very high	91.3	Very high	49 Å²	49	29 Å²	29	19%	0.185	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	138.2	174.9	-69.8	165.6	-162.5	115.1	6.6	109.6	S721 L722 Y833 Y871 T872 G875	S721-R842 CarbonylContact C-O 3.6Å; S721-R842 WeakPolarHBondContact CA-O 3.47Å; S721-R842 VanDerWaalsContact CB-O 3.29Å; S721-R842 WeakPolarHBondContact CB-O 3.44Å; S721-R842 PolarHBondContact OG-N 3.29Å; L722-R842 PolarHBondContact N-O 3.43Å; Y833-R842 CarbonylContact O-C 3.58Å; Y833-R842 VanDerWaalsContact O-CA 3.31Å; Y833-R842 WeakPolarHBondContact O-CA 3.46Å; R842-Y871 HydrophobicContact CB-CD1 4.3Å; R842-Y871 HydrophobicContact CB-CE1 3.76Å; R842-Y871 WeakPolarHBondContact CD-O 3.23Å; R842-Y871 HydrophobicContact CG-CE1 4.09Å; R842-Y871 PolarHBondContact NE-O 2.84Å; R842-Y871 PolarHBondContact NH1-O 3.03Å; R842-T872 HydrophobicContact CB-CG2 4.19Å; R842-T872 PolarHBondContact NH1-O 2.82Å; R842-G875 VanDerWaalsContact NE-CA 3.26Å; R842-G875 VanDerWaalsContact NH1-N 3.11Å
843	I	96.1	Very high	91.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	132.8	179.2	-55.4	179.4	0	0	0	108.5	V716 L722 W767 M769 Y833 I835 L845	V716-I843 HydrophobicContact CG1-CD1 4.14Å; V716-I843 HydrophobicContact CG1-CG1 4.23Å; L722-I843 HydrophobicContact CB-CG1 4.41Å; L722-I843 HydrophobicContact CB-CG2 4.36Å; L722-I843 HydrophobicContact CD1-CD1 4.42Å; L722-I843 HydrophobicContact CD1-CG1 4.31Å; L722-I843 CarbonylContact O-C 3.56Å; L722-I843 WeakPolarHBondContact O-CA 3.3Å; W767-I843 HydrophobicContact CB-CD1 4.39Å; W767-I843 HydrophobicContact CD2-CD1 3.37Å; W767-I843 HydrophobicContact CE3-CD1 3.77Å; W767-I843 HydrophobicContact CG-CD1 3.67Å; W767-I843 HydrophobicContact CH2-CD1 4.39Å; W767-I843 HydrophobicContact CZ2-CD1 4.04Å; W767-I843 HydrophobicContact CZ3-CD1 4.27Å; M769-I843 HydrophobicContact CE-CB 4.25Å; M769-I843 HydrophobicContact CE-CD1 4.26Å; M769-I843 HydrophobicContact CE-CG2 4.31Å; M769-I843 HydrophobicContact SD-CB 4.38Å; M769-I843 HydrophobicContact SD-CD1 4.39Å; M769-I843 HydrophobicContact SD-CG2 3.79Å; Y833-I843 PolarHBondContact N-O 2.87Å; Y833-I843 PolarHBondContact O-N 2.85Å; I835-I843 HydrophobicContact CD1-CD1 3.93Å; I835-I843 HydrophobicContact CD1-CG1 4.42Å; I843-L845 HydrophobicContact CG2-CD2 4.28Å
844	V	96.4	Very high	90.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	131.4	175.8	177.8	0	0	0	0	109.6	L722 V723 I724 L830 G831 L832 L868 Y871 T872	L722-V844 PolarHBondContact O-N 2.91Å; V723-V844 HydrophobicContact CG1-CB 4.49Å; V723-V844 HydrophobicContact CG2-CB 4.33Å; V723-V844 HydrophobicContact CG2-CG2 4.48Å; I724-V844 PolarHBondContact N-O 2.88Å; L830-V844 HydrophobicContact CD1-CG1 3.85Å; G831-V844 VanDerWaalsContact O-CA 3.31Å; G831-V844 WeakPolarHBondContact O-CA 3.44Å; L832-V844 HydrophobicContact CD2-CB 4.31Å; L832-V844 HydrophobicContact CD2-CG1 3.88Å; L832-V844 HydrophobicContact CD2-CG2 3.67Å; V844-L868 HydrophobicContact CG1-CB 4.47Å; V844-L868 HydrophobicContact CG1-CD1 3.74Å; V844-L868 HydrophobicContact CG1-CD2 3.7Å; V844-L868 HydrophobicContact CG1-CG 4.11Å; V844-Y871 HydrophobicContact CG2-CD1 3.67Å; V844-Y871 HydrophobicContact CG2-CE1 3.9Å; V844-T872 HydrophobicContact CG2-CG2 3.95Å
845	L	96.7	Very high	90	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	128.5	173.9	-57.3	-174.9	0	0	0	109.9	I724 L764 M769 F771 I795 F798 L830 G831 I843	I724-L845 HydrophobicContact CB-CD2 3.96Å; I724-L845 HydrophobicContact CD1-CD2 3.74Å; I724-L845 HydrophobicContact CG1-CD2 4.33Å; L764-L845 HydrophobicContact CD1-CD1 4.16Å; L764-L845 HydrophobicContact CD1-CD2 3.77Å; L764-L845 HydrophobicContact CD2-CD2 3.95Å; M769-L845 HydrophobicContact CB-CD1 4.11Å; M769-L845 HydrophobicContact CG-CD1 4.41Å; M769-L845 HydrophobicContact SD-CD1 4.16Å; F771-L845 HydrophobicContact CE1-CB 3.99Å; F771-L845 HydrophobicContact CE2-CD2 4.31Å; F771-L845 HydrophobicContact CZ-CB 3.82Å; F771-L845 HydrophobicContact CZ-CD1 4.34Å; F771-L845 HydrophobicContact CZ-CD2 4.02Å; F771-L845 HydrophobicContact CZ-CG 4.27Å; I795-L845 HydrophobicContact CD1-CB 4.09Å; F798-L845 HydrophobicContact CD2-CD1 4Å; F798-L845 HydrophobicContact CE2-CD1 3.83Å; F798-L845 HydrophobicContact CE2-CG 4.12Å; L830-L845 WeakPolarHBondContact CA-O 3.48Å; L830-L845 WeakPolarHBondContact CD1-O 3.47Å; G831-L845 PolarHBondContact N-O 3.41Å; G831-L845 PolarHBondContact O-N 2.93Å; I843-L845 HydrophobicContact CG2-CD2 4.28Å
846	Y	96.4	Very high	89.2	Confident	1 Å²	1	27.2 Å²	27.2	0%	0.004	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	131.9	170.5	-173.4	-105.8	0	0	0	109.5	I724 F725 S726 Y789 I829 L830 D848 L864	I724-Y846 PolarHBondContact O-N 2.9Å; F725-Y846 WeakPolarHBondContact CA-O 3.47Å; F725-Y846 AromaticContact CD1-CD1 3.47Å; F725-Y846 HydrophobicContact CD1-CD1 3.47Å; F725-Y846 VanDerWaalsContact CD1-CD1 3.47Å; F725-Y846 HydrophobicContact CD1-CE1 4.25Å; F725-Y846 HydrophobicContact CD1-CG 4.32Å; F725-Y846 AromaticContact CE1-CD1 3.41Å; F725-Y846 HydrophobicContact CE1-CD1 3.41Å; F725-Y846 VanDerWaalsContact CE1-CD1 3.41Å; F725-Y846 HydrophobicContact CE1-CE1 4.03Å; F725-Y846 HydrophobicContact CE1-CG 4.13Å; F725-Y846 HydrophobicContact CG-CD1 4.48Å; F725-Y846 HydrophobicContact CZ-CD1 4.41Å; S726-Y846 PolarHBondContact N-O 2.86Å; Y789-Y846 HydrophobicContact CD2-CE2 4.49Å; Y789-Y846 WeakPolarHBondContact CD2-OH 3.49Å; Y789-Y846 HydrophobicContact CE2-CE1 4.32Å; Y789-Y846 HydrophobicContact CE2-CE2 4.03Å; Y789-Y846 AromaticContact CE2-CZ 3.8Å; I829-Y846 HydrophobicContact CD1-CE2 4.45Å; I829-Y846 WeakPolarHBondContact O-CA 2.9Å; I829-Y846 WeakPolarHBondContact O-CD2 3.48Å; L830-Y846 HydrophobicContact CB-CD2 4.14Å; L830-Y846 HydrophobicContact CD1-CD2 4.28Å; Y846-D848 HydrophobicContact CD1-CB 4.42Å; Y846-D848 WeakPolarHBondContact CD1-O 3.37Å; Y846-D848 HydrophobicContact CE1-CB 3.8Å; Y846-D848 WeakPolarHBondContact CE1-O 3.25Å; Y846-L864 HydrophobicContact CD2-CD2 4.07Å; Y846-L864 HydrophobicContact CE1-CD2 4.39Å; Y846-L864 HydrophobicContact CE2-CD2 3.85Å; Y846-L864 HydrophobicContact CG-CD2 4.43Å
847	G	93.9	Very high	88.9	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	-95.9	21.5	-167.2	0	0	0	0	0	116.4	S726 Y789 G792 C793	S726-G847 CarbonylContact O-C 3.57Å; S726-G847 VanDerWaalsContact O-O 3.07Å; Y789-G847 WeakPolarHBondContact OH-CA 3.3Å; Y789-G847 PolarHBondContact OH-N 3.29Å; Y789-G847 PolarHBondContact OH-O 2.95Å; G792-G847 CarbonylContact C-O 3.51Å; G792-G847 WeakPolarHBondContact CA-O 3.21Å; C793-G847 PolarHBondContact N-O 2.81Å
848	D	93.8	Very high	88.8	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.148	C	C	.	.			trans	-142.5	118.6	174.7	169.4	15.1	0	0	0	111.5	F725 S726 Y789 A790 Y846 N850	F725-D848 WeakPolarHBondContact CD1-O 3.45Å; S726-D848 CarbonylContact O-C 3.31Å; S726-D848 WeakPolarHBondContact O-CA 3.2Å; S726-D848 PolarHBondContact O-N 3.2Å; Y789-D848 VanDerWaalsContact CA-OD2 3.29Å; Y789-D848 WeakPolarHBondContact CA-OD2 3.46Å; Y789-D848 HydrophobicContact CD2-CB 3.72Å; Y789-D848 HydrophobicContact CE2-CB 3.46Å; Y789-D848 VanDerWaalsContact CE2-CB 3.46Å; Y789-D848 HydrophobicContact CG-CB 4.35Å; A790-D848 PolarHBondContact N-OD2 2.78Å; Y846-D848 HydrophobicContact CD1-CB 4.42Å; Y846-D848 WeakPolarHBondContact CD1-O 3.37Å; Y846-D848 HydrophobicContact CE1-CB 3.8Å; Y846-D848 WeakPolarHBondContact CE1-O 3.25Å; D848-N850 WeakPolarHBondContact OD1-CB 3.35Å; D848-N850 PolarHBondContact OD1-N 2.94Å
849	S	92.5	Very high	89.2	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.116	C	C	.	.			trans	-91.8	-22.8	176.5	-43.2	0	0	0	0	113.9	S726 D727 C851 L852	S726-S849 PolarHBondContact O-N 2.67Å; D727-S849 PolarHBondContact OD1-N 2.73Å; D727-S849 VanDerWaalsContact OD1-N 3.09Å; D727-S849 WeakPolarHBondContact OD2-CB 3.4Å; D727-S849 PolarHBondContact OD2-OG 3.03Å; S849-C851 PolarHBondContact O-N 2.95Å; S849-L852 WeakPolarHBondContact O-CB 3.44Å; S849-L852 PolarHBondContact O-N 2.77Å
850	N	90.9	Very high	89.7	Confident	3 Å²	3	21.7 Å²	21.7	2%	0.016	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-19.9	-171.4	179.3	102	0	0	0	112.7	D643 N644 A790 D848 L852 H856	D643-N850 HydrophobicContact CB-CB 3.99Å; N644-N850 WeakPolarHBondContact CB-OD1 3.5Å; A790-N850 HydrophobicContact CB-CB 3.9Å; D848-N850 WeakPolarHBondContact OD1-CB 3.35Å; D848-N850 PolarHBondContact OD1-N 2.94Å; N850-L852 PolarHBondContact O-N 2.91Å; N850-H856 PolarHBondContact ND2-O 2.94Å
851	C	90.8	Very high	89.9	Confident	4 Å²	4	21.5 Å²	21.5	3%	0.027	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-13.1	174.3	72.2	0	0	0	0	114.2	S849 C861	S849-C851 PolarHBondContact O-N 2.95Å; C851-C861 HydrophobicContact CB-CB 3.51Å; C851-C861 WeakPolarHBondContact CB-SG 3.34Å; C851-C861 PolarHBondContact O-N 2.62Å; C851-C861 PolarHBondContact O-SG 3.47Å; C851-C861 VanDerWaalsContact O-SG 3.42Å; C851-C861 WeakPolarHBondContact SG-CB 3.27Å; C851-C861 CovalentContact SG-SG 2.03Å; C851-C861 PolarHBondContact SG-SG 3.49Å
852	L	92.8	Very high	89.9	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-25.1	173.7	-60.4	179.5	0	0	0	113.2	F663 M666 V698 F725 S849 N850 C861 F862 L865	F663-L852 HydrophobicContact CD1-CB 3.88Å; F663-L852 HydrophobicContact CE1-CB 3.84Å; M666-L852 HydrophobicContact CG-CD2 4.22Å; M666-L852 HydrophobicContact SD-CB 4.23Å; M666-L852 HydrophobicContact SD-CD1 4.02Å; M666-L852 HydrophobicContact SD-CD2 4.29Å; M666-L852 HydrophobicContact SD-CG 4.43Å; V698-L852 HydrophobicContact CG1-CD1 4.18Å; V698-L852 HydrophobicContact CG2-CD1 4.18Å; F725-L852 HydrophobicContact CB-CD1 4.28Å; F725-L852 HydrophobicContact CD1-CD1 3.54Å; F725-L852 HydrophobicContact CD1-CG 4.13Å; F725-L852 HydrophobicContact CD2-CD1 3.85Å; F725-L852 HydrophobicContact CE1-CD1 3.75Å; F725-L852 HydrophobicContact CE1-CD2 4.46Å; F725-L852 HydrophobicContact CE1-CG 4.09Å; F725-L852 HydrophobicContact CE2-CD1 4.01Å; F725-L852 HydrophobicContact CG-CD1 3.63Å; F725-L852 HydrophobicContact CZ-CD1 3.98Å; S849-L852 WeakPolarHBondContact O-CB 3.44Å; S849-L852 PolarHBondContact O-N 2.77Å; N850-L852 PolarHBondContact O-N 2.91Å; L852-C861 WeakPolarHBondContact CD2-SG 3.45Å; L852-F862 HydrophobicContact CD2-CD1 4.15Å; L852-F862 HydrophobicContact CD2-CE1 4.34Å; L852-L865 HydrophobicContact CD2-CB 4.34Å; L852-L865 HydrophobicContact CD2-CD2 3.99Å
853	D	89.9	Confident	89.8	Confident	1 Å²	1	21.9 Å²	21.9	1%	0.005	10%	0.102	C	C	.	.			trans	-75.1	138.5	178.5	172.6	25.7	0	0	0	112	N662 F663 S855 R857	N662-D853 VanDerWaalsContact CB-OD1 3.28Å; N662-D853 WeakPolarHBondContact CB-OD1 3.38Å; F663-D853 HydrophobicContact CE1-CB 4.01Å; F663-D853 HydrophobicContact CZ-CB 4.34Å; D853-S855 WeakPolarHBondContact OD1-CB 3.2Å; D853-S855 PolarHBondContact OD1-N 2.96Å; D853-S855 PolarHBondContact OD1-OG 3.11Å; D853-S855 WeakPolarHBondContact OD2-CB 3.29Å; D853-S855 PolarHBondContact OD2-OG 2.95Å; D853-R857 WeakPolarHBondContact O-CB 3.07Å; D853-R857 WeakPolarHBondContact O-CD 3.39Å; D853-R857 WeakPolarHBondContact O-CG 3.49Å
854	D	85.1	Confident	89.7	Confident	25 Å²	25	21.9 Å²	21.9	13%	0.134	10%	0.102	C	C	.	.	S	Bend	trans	-82.7	-22	177	-66	-30	0	0	0	113.7	L344 N662 R664 D665 R857	L344-D854 HydrophobicContact CD2-CB 4.35Å; N662-D854 WeakPolarHBondContact O-CB 3.09Å; N662-D854 VanDerWaalsContact O-CG 3.22Å; N662-D854 PolarHBondContact O-N 3.45Å; R664-D854 PolarHBondContact N-OD2 3.34Å; D665-D854 WeakPolarHBondContact CB-OD1 3.49Å; D665-D854 PolarHBondContact N-OD2 2.83Å; D665-D854 VanDerWaalsContact OD2-OD1 3.14Å; D854-R857 IonicContact OD1-CZ 3.16Å; D854-R857 IonicContact OD1-NH1 3.84Å; D854-R857 PolarHBondContact OD1-NH1 3.05Å; D854-R857 IonicContact OD1-NH2 3.91Å; D854-R857 PolarHBondContact OD1-NH2 2.75Å
855	S	77.6	Confident	89.6	Confident	21 Å²	21	21.9 Å²	21.9	15%	0.147	10%	0.102	C	C	.	.	S	Bend	trans	-71.2	-43.2	-169.9	87.9	0	0	0	0	112.3	D853	D853-S855 WeakPolarHBondContact OD1-CB 3.2Å; D853-S855 PolarHBondContact OD1-N 2.96Å; D853-S855 PolarHBondContact OD1-OG 3.11Å; D853-S855 WeakPolarHBondContact OD2-CB 3.29Å; D853-S855 PolarHBondContact OD2-OG 2.95Å
856	H	74.6	Confident	89.5	Confident	33 Å²	33	22.8 Å²	22.8	15%	0.153	11%	0.107	C	C	.	.	S	Bend	trans	-131.8	21.6	-172.3	-60.8	-29	0	0	0	113.2	M647 N850 Q858	M647-H856 HydrophobicContact CG-CB 4.47Å; N850-H856 PolarHBondContact ND2-O 2.94Å; H856-Q858 PolarHBondContact O-N 2.99Å
857	R	80.3	Confident	89.3	Confident	73 Å²	73	23.1 Å²	23.1	28%	0.275	11%	0.11	S	C	.	.			trans	-61.3	126	179.1	-148.2	165.2	43.6	-169.2	-19.6	112.8	D665 D853 D854 F862	D665-R857 IonicContact OD2-CZ 2.73Å; D665-R857 IonicContact OD2-NH1 2.81Å; D665-R857 IonicContact OD2-NH2 3.18Å; D665-R857 PolarHBondContact OD2-NH2 3.39Å; D853-R857 WeakPolarHBondContact O-CB 3.07Å; D853-R857 WeakPolarHBondContact O-CD 3.39Å; D853-R857 WeakPolarHBondContact O-CG 3.49Å; D854-R857 IonicContact OD1-CZ 3.16Å; D854-R857 IonicContact OD1-NH1 3.84Å; D854-R857 PolarHBondContact OD1-NH1 3.05Å; D854-R857 IonicContact OD1-NH2 3.91Å; D854-R857 PolarHBondContact OD1-NH2 2.75Å; R857-F862 VanDerWaalsContact NH1-CE2 3.31Å
858	Q	80.8	Confident	89.3	Confident	98 Å²	98	23.1 Å²	23.1	46%	0.458	11%	0.11	S	C	.	.	S	Bend	trans	-91.6	-49.8	166.1	-63.9	-173.5	17.5	0	0	111.6	Y788 H856	Y788-Q858 HydrophobicContact CD1-CB 4.36Å; Y788-Q858 HydrophobicContact CD1-CG 4.42Å; Y788-Q858 VanDerWaalsContact CE1-OE1 3.28Å; Y788-Q858 HydrophobicContact CG-CB 4.48Å; Y788-Q858 VanDerWaalsContact CZ-OE1 3.24Å; H856-Q858 PolarHBondContact O-N 2.99Å
859	K	87.6	Confident	89.3	Confident	62 Å²	62	23.1 Å²	23.1	27%	0.27	11%	0.11	S	C	.	.	S	Bend	trans	-137.1	139.8	175.8	-65.4	-175.8	-173.2	168.2	0	108.6	E779 D786	E779-K859 WeakPolarHBondContact OE1-CE 3.34Å; E779-K859 IonicContact OE1-NZ 3.02Å; E779-K859 PolarHBondContact OE1-NZ 2.82Å; D786-K859 HydrophobicContact CB-CD 4.44Å
860	D	90.9	Very high	89.3	Confident	80 Å²	80	27.1 Å²	27.1	43%	0.428	13%	0.129	S	C	.	.			trans	-78.7	149.5	177	66.9	94.3	0	0	0	112.2	F862	D860-F862 HydrophobicContact CB-CD1 4.5Å; D860-F862 HydrophobicContact CB-CD2 4.16Å; D860-F862 HydrophobicContact CB-CE2 4.37Å; D860-F862 HydrophobicContact CB-CG 4.25Å
861	C	93	Very high	89.3	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.13	C	C	.	.			trans	-114.8	25.5	174.1	64.2	0	0	0	0	112.6	M787 C851 L852 W863 L864 L865	M787-C861 HydrophobicContact CE-CB 3.41Å; M787-C861 VanDerWaalsContact CE-CB 3.41Å; C851-C861 HydrophobicContact CB-CB 3.51Å; C851-C861 WeakPolarHBondContact CB-SG 3.34Å; C851-C861 PolarHBondContact O-N 2.62Å; C851-C861 PolarHBondContact O-SG 3.47Å; C851-C861 VanDerWaalsContact O-SG 3.42Å; C851-C861 WeakPolarHBondContact SG-CB 3.27Å; C851-C861 CovalentContact SG-SG 2.03Å; C851-C861 PolarHBondContact SG-SG 3.49Å; L852-C861 WeakPolarHBondContact CD2-SG 3.45Å; C861-W863 PolarHBondContact O-N 3.41Å; C861-L864 HydrophobicContact CB-CB 4.33Å; C861-L864 WeakPolarHBondContact O-CA 3.24Å; C861-L864 WeakPolarHBondContact O-CB 3.48Å; C861-L864 PolarHBondContact O-N 2.68Å; C861-L865 PolarHBondContact O-N 3.03Å
862	F	94	Very high	89.4	Confident	19 Å²	19	27.5 Å²	27.5	8%	0.083	13%	0.13	C	C	.	.	H	α-helix	trans	-60.4	-33.7	-176.8	-65.8	-17.2	0	0	0	113.3	D665 M666 H669 L852 R857 D860 L864 L865 D866	D665-F862 HydrophobicContact CB-CE2 4.05Å; D665-F862 HydrophobicContact CB-CZ 3.81Å; M666-F862 HydrophobicContact CB-CE1 3.71Å; M666-F862 HydrophobicContact CB-CZ 4.17Å; M666-F862 HydrophobicContact CG-CE1 4.29Å; M666-F862 VanDerWaalsContact N-CZ 3.35Å; H669-F862 HydrophobicContact CB-CD2 3.94Å; H669-F862 HydrophobicContact CB-CE2 4.2Å; H669-F862 HydrophobicContact CB-CG 4.24Å; H669-F862 AromaticContact CG-CD2 3.9Å; H669-F862 AromaticContact CG-CG 3.95Å; L852-F862 HydrophobicContact CD2-CD1 4.15Å; L852-F862 HydrophobicContact CD2-CE1 4.34Å; R857-F862 VanDerWaalsContact NH1-CE2 3.31Å; D860-F862 HydrophobicContact CB-CD1 4.5Å; D860-F862 HydrophobicContact CB-CD2 4.16Å; D860-F862 HydrophobicContact CB-CE2 4.37Å; D860-F862 HydrophobicContact CB-CG 4.25Å; F862-L864 VanDerWaalsContact C-N 3.28Å; F862-L864 PolarHBondContact O-N 2.71Å; F862-L865 PolarHBondContact O-N 3.02Å; F862-D866 PolarHBondContact O-N 2.87Å
863	W	92.8	Very high	89.2	Confident	39 Å²	39	28.5 Å²	28.5	15%	0.148	14%	0.137	C	C	.	.	H	α-helix	trans	-63.1	-35.6	173.4	76.9	-93	0	0	0	112.3	L782 A783 H785 M787 C861 A867	L782-W863 HydrophobicContact CB-CH2 3.98Å; L782-W863 HydrophobicContact CB-CZ2 4.05Å; L782-W863 HydrophobicContact CD2-CH2 3.81Å; L782-W863 HydrophobicContact CD2-CZ2 4.31Å; L782-W863 HydrophobicContact CG-CH2 3.8Å; L782-W863 HydrophobicContact CG-CZ2 4.35Å; L782-W863 WeakPolarHBondContact O-CZ2 3.37Å; A783-W863 HydrophobicContact CB-CH2 3.73Å; A783-W863 HydrophobicContact CB-CZ3 3.81Å; H785-W863 HydrophobicContact CB-CD2 4.06Å; H785-W863 VanDerWaalsContact CB-CE2 3.42Å; H785-W863 HydrophobicContact CB-CG 4.37Å; H785-W863 HydrophobicContact CB-CZ2 3.68Å; H785-W863 AromaticContact CD2-CD2 3.99Å; H785-W863 AromaticContact CG-CD1 3.96Å; H785-W863 AromaticContact CG-CD2 3.82Å; H785-W863 AromaticContact CG-CE2 3.73Å; H785-W863 AromaticContact CG-CG 3.97Å; H785-W863 AromaticContact CG-NE1 3.81Å; H785-W863 AromaticContact ND1-CD1 3.84Å; H785-W863 AromaticContact ND1-CG 3.85Å; M787-W863 HydrophobicContact CG-CZ2 4.09Å; M787-W863 HydrophobicContact SD-CH2 4.33Å; M787-W863 HydrophobicContact SD-CZ2 3.33Å; M787-W863 WeakPolarHBondContact SD-CZ2 3.36Å; C861-W863 PolarHBondContact O-N 3.41Å; W863-A867 PolarHBondContact O-N 2.73Å; W863-A867 VanDerWaalsContact O-N 3.11Å
864	L	93.6	Very high	89	Confident	0 Å²	0	34 Å²	34	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-69.7	-48.4	177.5	176	61.8	0	0	0	108.3	L782 M787 L830 Y846 C861 F862 D866 A867 L868	L782-L864 HydrophobicContact CD2-CD1 4.31Å; M787-L864 HydrophobicContact CE-CB 4.4Å; M787-L864 HydrophobicContact CE-CD2 3.85Å; M787-L864 HydrophobicContact SD-CD2 4.44Å; L830-L864 HydrophobicContact CD2-CD1 4.01Å; Y846-L864 HydrophobicContact CD2-CD2 4.07Å; Y846-L864 HydrophobicContact CE1-CD2 4.39Å; Y846-L864 HydrophobicContact CE2-CD2 3.85Å; Y846-L864 HydrophobicContact CG-CD2 4.43Å; C861-L864 HydrophobicContact CB-CB 4.33Å; C861-L864 WeakPolarHBondContact O-CA 3.24Å; C861-L864 WeakPolarHBondContact O-CB 3.48Å; C861-L864 PolarHBondContact O-N 2.68Å; F862-L864 VanDerWaalsContact C-N 3.28Å; F862-L864 PolarHBondContact O-N 2.71Å; L864-D866 VanDerWaalsContact C-N 3.25Å; L864-D866 PolarHBondContact O-N 3Å; L864-A867 CarbonylContact O-C 3.6Å; L864-A867 WeakPolarHBondContact O-CA 3.46Å; L864-A867 VanDerWaalsContact O-CB 3.32Å; L864-A867 WeakPolarHBondContact O-CB 3.32Å; L864-A867 PolarHBondContact O-N 3.34Å; L864-L868 HydrophobicContact CD1-CD1 4.37Å; L864-L868 HydrophobicContact CD1-CD2 4.05Å; L864-L868 HydrophobicContact CD1-CG 4.08Å; L864-L868 HydrophobicContact CG-CD1 4.05Å; L864-L868 HydrophobicContact CG-CG 4.19Å; L864-L868 VanDerWaalsContact O-CG 3.28Å; L864-L868 WeakPolarHBondContact O-CG 3.49Å; L864-L868 PolarHBondContact O-N 3.19Å
865	L	94.8	Very high	88.8	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-52.9	-43.7	175	-178.5	60.7	0	0	0	112	M666 L670 L696 F725 L852 C861 F862 A867 L868 L869	M666-L865 HydrophobicContact CG-CD2 3.59Å; M666-L865 HydrophobicContact SD-CD2 4.02Å; L670-L865 HydrophobicContact CD1-CD2 4.3Å; L670-L865 HydrophobicContact CD2-CD2 3.81Å; L670-L865 HydrophobicContact CD2-CG 4.18Å; L670-L865 HydrophobicContact CG-CD2 4.16Å; L696-L865 HydrophobicContact CD1-CD1 4.35Å; F725-L865 HydrophobicContact CE2-CD1 3.94Å; F725-L865 HydrophobicContact CZ-CD1 4.31Å; L852-L865 HydrophobicContact CD2-CB 4.34Å; L852-L865 HydrophobicContact CD2-CD2 3.99Å; C861-L865 PolarHBondContact O-N 3.03Å; F862-L865 PolarHBondContact O-N 3.02Å; L865-A867 PolarHBondContact O-N 3.1Å; L865-L868 PolarHBondContact O-N 2.76Å; L865-L869 HydrophobicContact CD1-CD1 4.33Å; L865-L869 HydrophobicContact CD1-CG 4.29Å; L865-L869 HydrophobicContact CG-CD1 4.22Å; L865-L869 WeakPolarHBondContact O-CB 3.3Å; L865-L869 WeakPolarHBondContact O-CG 3.36Å; L865-L869 PolarHBondContact O-N 3.03Å
866	D	92.8	Very high	88.9	Confident	19 Å²	19	37.1 Å²	37.1	10%	0.102	18%	0.183	C	C	.	.	H	α-helix	trans	-60.4	-43.7	174.9	-72.6	-23.9	0	0	0	112.7	H669 F862 L864 L869 Q870	H669-D866 IonicContact CD2-OD1 2.71Å; H669-D866 IonicContact CE1-OD2 3.75Å; H669-D866 PolarHBondContact CE1-OD2 2.98Å; H669-D866 IonicContact NE2-OD1 4Å; H669-D866 PolarHBondContact NE2-OD1 3.45Å; H669-D866 IonicContact NE2-OD2 3.32Å; H669-D866 PolarHBondContact NE2-OD2 3.46Å; F862-D866 PolarHBondContact O-N 2.87Å; L864-D866 VanDerWaalsContact C-N 3.25Å; L864-D866 PolarHBondContact O-N 3Å; D866-L869 PolarHBondContact O-N 3.44Å; D866-Q870 WeakPolarHBondContact O-CB 3.42Å; D866-Q870 VanDerWaalsContact O-CG 3.28Å; D866-Q870 WeakPolarHBondContact O-CG 3.14Å; D866-Q870 PolarHBondContact O-N 3.28Å
867	A	92.3	Very high	89	Confident	8 Å²	8	38.4 Å²	38.4	7%	0.066	19%	0.194	C	C	.	.	H	α-helix	trans	-62.9	-41.6	176.9	0	0	0	0	0	111.8	W863 L864 L865 Q870 Y871 P878 L881	W863-A867 PolarHBondContact O-N 2.73Å; W863-A867 VanDerWaalsContact O-N 3.11Å; L864-A867 CarbonylContact O-C 3.6Å; L864-A867 WeakPolarHBondContact O-CA 3.46Å; L864-A867 VanDerWaalsContact O-CB 3.32Å; L864-A867 WeakPolarHBondContact O-CB 3.32Å; L864-A867 PolarHBondContact O-N 3.34Å; L865-A867 PolarHBondContact O-N 3.1Å; A867-Q870 PolarHBondContact O-N 2.61Å; A867-Y871 PolarHBondContact O-N 3.02Å; A867-P878 HydrophobicContact CB-CG 3.82Å; A867-L881 HydrophobicContact CB-CD1 4.28Å
868	L	94.4	Very high	88.5	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-68.6	-39.5	177.2	-59.4	-179.1	0	0	0	111.6	V723 F725 L830 L832 V844 L864 L865 Y871 T872 L881	V723-L868 HydrophobicContact CG1-CD1 4.22Å; F725-L868 HydrophobicContact CE2-CD1 3.98Å; F725-L868 HydrophobicContact CZ-CD1 3.78Å; L830-L868 HydrophobicContact CD1-CD2 4Å; L830-L868 HydrophobicContact CD2-CD2 4.46Å; L832-L868 HydrophobicContact CD2-CD2 3.83Å; V844-L868 HydrophobicContact CG1-CB 4.47Å; V844-L868 HydrophobicContact CG1-CD1 3.74Å; V844-L868 HydrophobicContact CG1-CD2 3.7Å; V844-L868 HydrophobicContact CG1-CG 4.11Å; L864-L868 HydrophobicContact CD1-CD1 4.37Å; L864-L868 HydrophobicContact CD1-CD2 4.05Å; L864-L868 HydrophobicContact CD1-CG 4.08Å; L864-L868 HydrophobicContact CG-CD1 4.05Å; L864-L868 HydrophobicContact CG-CG 4.19Å; L864-L868 VanDerWaalsContact O-CG 3.28Å; L864-L868 WeakPolarHBondContact O-CG 3.49Å; L864-L868 PolarHBondContact O-N 3.19Å; L865-L868 PolarHBondContact O-N 2.76Å; L868-Y871 PolarHBondContact O-N 2.8Å; L868-T872 WeakPolarHBondContact O-CG2 3.25Å; L868-T872 PolarHBondContact O-N 3.23Å; L868-T872 PolarHBondContact O-OG1 3.02Å; L868-L881 HydrophobicContact CD2-CD1 4.49Å
869	L	94	Very high	88	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-67.1	-35.9	174.7	-72.6	177.3	0	0	0	112.3	V625 L670 Y675 T694 L865 D866 T872 S873	V625-L869 HydrophobicContact CG2-CD2 4.09Å; L670-L869 HydrophobicContact CD2-CD1 3.31Å; Y675-L869 HydrophobicContact CD2-CD1 4.16Å; Y675-L869 HydrophobicContact CE1-CB 4.34Å; Y675-L869 HydrophobicContact CE1-CD1 4.43Å; Y675-L869 HydrophobicContact CE2-CB 4.36Å; Y675-L869 HydrophobicContact CE2-CD1 3.91Å; T694-L869 HydrophobicContact CG2-CD2 4.03Å; L865-L869 HydrophobicContact CD1-CD1 4.33Å; L865-L869 HydrophobicContact CD1-CG 4.29Å; L865-L869 HydrophobicContact CG-CD1 4.22Å; L865-L869 WeakPolarHBondContact O-CB 3.3Å; L865-L869 WeakPolarHBondContact O-CG 3.36Å; L865-L869 PolarHBondContact O-N 3.03Å; D866-L869 PolarHBondContact O-N 3.44Å; L869-T872 WeakPolarHBondContact CA-OG1 3.27Å; L869-T872 PolarHBondContact O-OG1 3.33Å; L869-S873 WeakPolarHBondContact O-CB 3.31Å; L869-S873 PolarHBondContact O-N 2.91Å; L869-S873 PolarHBondContact O-OG 3.3Å
870	Q	91.5	Very high	87.1	Confident	83 Å²	83	34.2 Å²	34.2	39%	0.388	19%	0.192	S	C	.	.	H	α-helix	trans	-65.1	-42.7	172.9	-75.4	175.2	26.2	0	0	112	D866 A867 Y874	D866-Q870 WeakPolarHBondContact O-CB 3.42Å; D866-Q870 VanDerWaalsContact O-CG 3.28Å; D866-Q870 WeakPolarHBondContact O-CG 3.14Å; D866-Q870 PolarHBondContact O-N 3.28Å; A867-Q870 PolarHBondContact O-N 2.61Å; Q870-Y874 PolarHBondContact O-N 3.48Å
871	Y	92.5	Very high	86.3	Confident	13 Å²	13	30.6 Å²	30.6	5%	0.051	17%	0.172	C	C	.	.	H	α-helix	trans	-60.5	-53	174.9	172.3	-111.4	0	0	0	111.1	L832 Y833 Q834 R842 V844 A867 L868 S873 G875 V876 T877	L832-Y871 HydrophobicContact CB-CE1 3.93Å; L832-Y871 HydrophobicContact CD2-CD1 4.09Å; L832-Y871 HydrophobicContact CD2-CE1 4.2Å; Y833-Y871 PolarHBondContact O-OH 2.82Å; Q834-Y871 PolarHBondContact N-OH 3.01Å; R842-Y871 HydrophobicContact CB-CD1 4.3Å; R842-Y871 HydrophobicContact CB-CE1 3.76Å; R842-Y871 WeakPolarHBondContact CD-O 3.23Å; R842-Y871 HydrophobicContact CG-CE1 4.09Å; R842-Y871 PolarHBondContact NE-O 2.84Å; R842-Y871 PolarHBondContact NH1-O 3.03Å; V844-Y871 HydrophobicContact CG2-CD1 3.67Å; V844-Y871 HydrophobicContact CG2-CE1 3.9Å; A867-Y871 PolarHBondContact O-N 3.02Å; L868-Y871 PolarHBondContact O-N 2.8Å; Y871-S873 VanDerWaalsContact C-N 3.35Å; Y871-S873 PolarHBondContact O-N 3.3Å; Y871-G875 VanDerWaalsContact O-CA 3.26Å; Y871-G875 WeakPolarHBondContact O-CA 3.18Å; Y871-G875 PolarHBondContact O-N 3.18Å; Y871-V876 WeakPolarHBondContact CA-O 3.12Å; Y871-T877 HydrophobicContact CD2-CG2 3.63Å; Y871-T877 HydrophobicContact CE2-CG2 3.66Å
872	T	92.3	Very high	85	Confident	3 Å²	3	32.8 Å²	32.8	2%	0.018	19%	0.188	C	C	.	.	H	α-helix	trans	-63.6	-38.7	-179	51	0	0	0	0	112.7	T694 S721 V723 R842 V844 L868 L869	T694-T872 PolarHBondContact OG1-OG1 2.86Å; S721-T872 PolarHBondContact OG-O 3.34Å; V723-T872 HydrophobicContact CG2-CG2 3.63Å; R842-T872 HydrophobicContact CB-CG2 4.19Å; R842-T872 PolarHBondContact NH1-O 2.82Å; V844-T872 HydrophobicContact CG2-CG2 3.95Å; L868-T872 WeakPolarHBondContact O-CG2 3.25Å; L868-T872 PolarHBondContact O-N 3.23Å; L868-T872 PolarHBondContact O-OG1 3.02Å; L869-T872 WeakPolarHBondContact CA-OG1 3.27Å; L869-T872 PolarHBondContact O-OG1 3.33Å
873	S	87.9	Confident	83.4	Confident	21 Å²	21	39.3 Å²	39.3	15%	0.147	22%	0.218	C	C	.	.	H	α-helix	trans	-81.5	-38	-175.6	-59.5	0	0	0	0	114.4	S622 L869 Y871	S622-S873 PolarHBondContact O-OG 2.98Å; S622-S873 VanDerWaalsContact O-OG 3.11Å; L869-S873 WeakPolarHBondContact O-CB 3.31Å; L869-S873 PolarHBondContact O-N 2.91Å; L869-S873 PolarHBondContact O-OG 3.3Å; Y871-S873 VanDerWaalsContact C-N 3.35Å; Y871-S873 PolarHBondContact O-N 3.3Å
874	Y	85.9	Confident	81.9	Confident	117 Å²	117	38.6 Å²	38.6	46%	0.459	22%	0.219	S	C	.	.	H	α-helix	trans	-120	-7.5	-170.7	-56.4	-76.8	0	0	0	114.1	Q870 V876	Q870-Y874 PolarHBondContact O-N 3.48Å; Y874-V876 PolarHBondContact O-N 3.21Å
875	G	81.8	Confident	80.4	Confident	30 Å²	30	42.3 Å²	42.3	31%	0.309	26%	0.258	S	S	.	.			trans	70.4	12.3	-176.7	0	0	0	0	0	114.4	R842 Y871 T877	R842-G875 VanDerWaalsContact NE-CA 3.26Å; R842-G875 VanDerWaalsContact NH1-N 3.11Å; Y871-G875 VanDerWaalsContact O-CA 3.26Å; Y871-G875 WeakPolarHBondContact O-CA 3.18Å; Y871-G875 PolarHBondContact O-N 3.18Å; G875-T877 PolarHBondContact O-N 3.25Å
876	V	78.8	Confident	79.3	Confident	81 Å²	81	45.5 Å²	45.5	49%	0.491	28%	0.275	S	S	.	.			trans	-88.4	108.1	175.7	-178.5	0	0	0	0	107.1	Y871 Y874 P878	Y871-V876 WeakPolarHBondContact CA-O 3.12Å; Y874-V876 PolarHBondContact O-N 3.21Å; V876-P878 VanDerWaalsContact O-CD 3.25Å; V876-P878 WeakPolarHBondContact O-CD 3.4Å
877	T	77.2	Confident	78.7	Confident	60 Å²	60	50.9 Å²	50.9	37%	0.368	29%	0.293	S	S	.	.			trans	-66.6	118.8	163.1	22.3	0	0	0	0	108.1	L832 Y871 G875	L832-T877 HydrophobicContact CD1-CG2 4.24Å; Y871-T877 HydrophobicContact CD2-CG2 3.63Å; Y871-T877 HydrophobicContact CE2-CG2 3.66Å; G875-T877 PolarHBondContact O-N 3.25Å
878	P	70.2	Confident	78.1	Confident	8 Å²	8	54.2 Å²	54.2	5%	0.052	31%	0.308	C	S	.	.			trans	-55.7	134.1	178.3	-27.2	36.7	0	0	0	110.4	A867 V876 S880 L881 S882	A867-P878 HydrophobicContact CB-CG 3.82Å; V876-P878 VanDerWaalsContact O-CD 3.25Å; V876-P878 WeakPolarHBondContact O-CD 3.4Å; P878-S880 WeakPolarHBondContact CB-OG 3Å; P878-S880 PolarHBondContact O-N 3.2Å; P878-L881 HydrophobicContact CB-CG 4.46Å; P878-L881 HydrophobicContact CG-CD1 4.18Å; P878-L881 PolarHBondContact O-N 2.93Å; P878-S882 PolarHBondContact O-N 3.06Å
879	P	69.1	Low	77.5	Confident	86 Å²	86	65.3 Å²	65.3	56%	0.558	35%	0.35	S	S	*	.	H	α-helix	trans	-53.6	-30.2	179.6	-28.7	35	0	0	0	113.2	L881 S882 H883	P879-L881 VanDerWaalsContact C-N 3.34Å; P879-L881 PolarHBondContact O-N 3.34Å; P879-S882 VanDerWaalsContact CA-OG 3.23Å; P879-S882 WeakPolarHBondContact CA-OG 3.44Å; P879-S882 PolarHBondContact O-N 3.27Å; P879-S882 PolarHBondContact O-OG 3.02Å; P879-H883 WeakPolarHBondContact O-CB 3.27Å; P879-H883 PolarHBondContact O-CD2 3.37Å; P879-H883 PolarHBondContact O-N 3Å
880	S	68.8	Low	77.1	Confident	51 Å²	51	66.5 Å²	66.5	36%	0.357	36%	0.357	S	S	.	.	H	α-helix	trans	-65.5	-31.5	176.8	50.5	0	0	0	0	114.3	P878	P878-S880 WeakPolarHBondContact CB-OG 3Å; P878-S880 PolarHBondContact O-N 3.2Å
881	L	75.2	Confident	76.7	Confident	3 Å²	3	63.9 Å²	63.9	2%	0.016	35%	0.347	C	S	.	.	H	α-helix	trans	-89.6	-29.3	174.2	-64.3	176.8	0	0	0	111.4	L782 I805 L830 L832 A867 L868 P878 P879 S884	L782-L881 HydrophobicContact CD1-CD2 4.26Å; L782-L881 HydrophobicContact CD2-CD2 3.87Å; L782-L881 HydrophobicContact CG-CD2 4.1Å; I805-L881 HydrophobicContact CD1-CB 4.38Å; I805-L881 HydrophobicContact CD1-CD2 3.88Å; L830-L881 HydrophobicContact CD2-CD2 4.17Å; L832-L881 HydrophobicContact CD1-CD1 4.41Å; A867-L881 HydrophobicContact CB-CD1 4.28Å; L868-L881 HydrophobicContact CD2-CD1 4.49Å; P878-L881 HydrophobicContact CB-CG 4.46Å; P878-L881 HydrophobicContact CG-CD1 4.18Å; P878-L881 PolarHBondContact O-N 2.93Å; P879-L881 VanDerWaalsContact C-N 3.34Å; P879-L881 PolarHBondContact O-N 3.34Å; L881-S884 PolarHBondContact O-OG 3.33Å
882	S	65.8	Low	76	Confident	46 Å²	46	67.5 Å²	67.5	32%	0.322	38%	0.375	S	S	.	.	H	α-helix	trans	-73.5	-27.9	178.6	68.2	0	0	0	0	113.8	P878 P879	P878-S882 PolarHBondContact O-N 3.06Å; P879-S882 VanDerWaalsContact CA-OG 3.23Å; P879-S882 WeakPolarHBondContact CA-OG 3.44Å; P879-S882 PolarHBondContact O-N 3.27Å; P879-S882 PolarHBondContact O-OG 3.02Å
883	H	59.3	Low	75	Confident	157 Å²	157	68.1 Å²	68.1	73%	0.727	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	11.2	-178.7	-64.1	-56.8	0	0	0	114.3	P879 G885	P879-H883 WeakPolarHBondContact O-CB 3.27Å; P879-H883 PolarHBondContact O-CD2 3.37Å; P879-H883 PolarHBondContact O-N 3Å; H883-G885 PolarHBondContact O-N 3.06Å
884	S	62.3	Low	73.6	Confident	23 Å²	23	71.3 Å²	71.3	16%	0.161	41%	0.409	C	S	.	.			trans	-66.2	125.4	178.1	70.5	0	0	0	0	110.4	L881 N886 R887	L881-S884 PolarHBondContact O-OG 3.33Å; S884-N886 PolarHBondContact O-N 3.37Å; S884-R887 PolarHBondContact O-N 3.08Å
885	G	61.3	Low	72.4	Confident	79 Å²	79	69.8 Å²	69.8	81%	0.814	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-7.6	176.4	0	0	0	0	0	114.8	H883	H883-G885 PolarHBondContact O-N 3.06Å
886	N	71.4	Confident	71.8	Confident	67 Å²	67	70.7 Å²	70.7	36%	0.358	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	19.7	-175.9	-53.6	-13.3	0	0	0	113.1	T806 Q807 S884	T806-N886 PolarHBondContact N-O 2.99Å; T806-N886 WeakPolarHBondContact O-CB 3.47Å; T806-N886 PolarHBondContact OG1-O 3.34Å; T806-N886 VanDerWaalsContact OG1-O 3.1Å; Q807-N886 PolarHBondContact NE2-ND2 2.94Å; Q807-N886 PolarHBondContact OE1-ND2 3.28Å; S884-N886 PolarHBondContact O-N 3.37Å
887	R	80.3	Confident	71.8	Confident	131 Å²	131	71.2 Å²	71.2	49%	0.494	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	126.9	174.1	-175.4	176.6	174.5	173.1	-0.5	109.3	V803 V804 S884	V803-R887 HydrophobicContact CG1-CG 4.25Å; V804-R887 WeakPolarHBondContact O-CA 3.32Å; S884-R887 PolarHBondContact O-N 3.08Å
888	Q	80.6	Confident	72.3	Confident	78 Å²	78	71 Å²	71	36%	0.364	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	170.4	177.6	-64.8	-158.5	-1.6	0	0	112	V804 T806 N826	V804-Q888 PolarHBondContact O-N 3.34Å; V804-Q888 VanDerWaalsContact O-N 3.1Å; T806-Q888 HydrophobicContact CG2-CB 3.86Å; T806-Q888 HydrophobicContact CG2-CG 3.82Å; T806-Q888 WeakPolarHBondContact OG1-CG 3.28Å; N826-Q888 PolarHBondContact OD1-NE2 3.12Å
889	R	81.3	Confident	73.2	Confident	235 Å²	235	71.2 Å²	71.2	89%	0.887	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-64.2	137.6	170.5	-73.5	-174.1	-177.5	177.5	0.6	109
890	P	84.9	Confident	74.1	Confident	25 Å²	25	74.6 Å²	74.6	16%	0.162	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-53.5	139.4	175.2	-30.2	39.2	0	0	0	112.1	F798 P799 E800 G802 V804 S892	F798-P890 HydrophobicContact CB-CB 4.14Å; F798-P890 HydrophobicContact CD1-CB 4.33Å; P799-P890 WeakPolarHBondContact O-CB 3.35Å; P799-P890 WeakPolarHBondContact O-CG 3.27Å; E800-P890 WeakPolarHBondContact O-CG 3.08Å; G802-P890 WeakPolarHBondContact O-CG 3.24Å; V804-P890 HydrophobicContact CG2-CB 4.06Å; V804-P890 HydrophobicContact CG2-CG 4.14Å; P890-S892 PolarHBondContact O-N 2.92Å
891	P	85	Confident	75.1	Confident	27 Å²	27	77.2 Å²	77.2	18%	0.175	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-70.8	130.1	177.9	29.6	-34	0	0	0	110.2	I795 A796 F798 P828 G893	I795-P891 HydrophobicContact CG2-CG 4.39Å; I795-P891 WeakPolarHBondContact O-CG 3.48Å; A796-P891 WeakPolarHBondContact O-CB 3.11Å; F798-P891 HydrophobicContact CB-CG 4.37Å; F798-P891 PolarHBondContact N-O 2.88Å; P828-P891 HydrophobicContact CG-CG 4.49Å; P891-G893 PolarHBondContact O-N 3.36Å
892	S	77.1	Confident	75.6	Confident	90 Å²	90	77.4 Å²	77.4	63%	0.629	45%	0.445	S	S	*	.	B	Isolated β-bridge	trans	-80.1	-2.2	179.1	59.7	0	0	0	0	113.7	P890 A894	P890-S892 PolarHBondContact O-N 2.92Å; S892-A894 VanDerWaalsContact C-N 3.29Å
893	G	70.1	Confident	76.4	Confident	16 Å²	16	83.3 Å²	83.3	17%	0.165	47%	0.468	C	S	.	.	S	Bend	trans	83.1	-6.6	-170.4	0	0	0	0	0	114.9	A796 P891 G895	A796-G893 VanDerWaalsContact O-CA 3.3Å; A796-G893 WeakPolarHBondContact O-CA 3.32Å; A796-G893 PolarHBondContact O-N 3.2Å; P891-G893 PolarHBondContact O-N 3.36Å; G893-G895 PolarHBondContact O-N 2.92Å; G893-G895 VanDerWaalsContact O-N 3.15Å
894	A	59.7	Low	77.2	Confident	88 Å²	88	78.2 Å²	78.2	73%	0.727	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	105.5	176.4	0	0	0	0	0	110.6	S892	S892-A894 VanDerWaalsContact C-N 3.29Å
895	G	61.1	Low	78.1	Confident	85 Å²	85	78.6 Å²	78.6	88%	0.876	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.1	-3	178	0	0	0	0	0	115.6	G893	G893-G895 PolarHBondContact O-N 2.92Å; G893-G895 VanDerWaalsContact O-N 3.15Å
896	S	69.1	Low	79.2	Confident	49 Å²	49	78.1 Å²	78.1	34%	0.343	43%	0.434	S	S	.	.			trans	-105.2	125.3	175	-52.6	0	0	0	0	109.9
897	V	79.4	Confident	79.9	Confident	92 Å²	92	75 Å²	75	56%	0.558	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-80.2	127.5	178.2	-177.4	0	0	0	0	108.7	S772 D773	S772-V897 WeakPolarHBondContact CA-O 3.42Å; D773-V897 PolarHBondContact N-O 3.19Å
898	T	85.6	Confident	80.2	Confident	55 Å²	55	70.4 Å²	70.4	34%	0.337	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-84.2	136.4	169.6	48.7	0	0	0	0	108.8	A796	A796-T898 HydrophobicContact CB-CG2 4.28Å
899	P	89.2	Confident	80.4	Confident	13 Å²	13	72.8 Å²	72.8	8%	0.084	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-67.2	140.9	-178.7	26.3	-31.6	0	0	0	110.9	Y729 I757 P758 F771 D773	Y729-P899 HydrophobicContact CD1-CB 3.69Å; Y729-P899 HydrophobicContact CD1-CG 4.49Å; Y729-P899 HydrophobicContact CE1-CB 4.32Å; I757-P899 HydrophobicContact CB-CG 3.92Å; I757-P899 HydrophobicContact CG2-CG 3.36Å; P758-P899 HydrophobicContact CG-CB 4.35Å; P758-P899 HydrophobicContact CG-CG 4.48Å; F771-P899 WeakPolarHBondContact O-CD 3.28Å; D773-P899 HydrophobicContact CB-CB 3.95Å
900	E	88.6	Confident	80.4	Confident	157 Å²	157	64.7 Å²	64.7	73%	0.734	38%	0.377	S	S	*	.			trans	-104.9	151.6	172.9	-66.4	-178.6	172.7	0	0	110.2	Y729 T731 M902	Y729-E900 WeakPolarHBondContact CE1-O 3.46Å; T731-E900 VanDerWaalsContact CG2-O 3.3Å; T731-E900 WeakPolarHBondContact CG2-O 3.34Å; E900-M902 PolarHBondContact O-N 2.96Å
901	R	89	Confident	80.5	Confident	105 Å²	105	63.6 Å²	63.6	40%	0.396	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-59.1	135.3	177.1	-67.6	-178.2	176.7	89.4	-4.3	110.1	E703 P758 E762 E903	E703-R901 IonicContact OE1-CZ 3.32Å; E703-R901 IonicContact OE1-NE 3.72Å; E703-R901 PolarHBondContact OE1-NE 3.14Å; E703-R901 IonicContact OE1-NH2 3.55Å; E703-R901 PolarHBondContact OE1-NH2 3.41Å; E703-R901 IonicContact OE2-CZ 3.93Å; E703-R901 IonicContact OE2-NE 2.7Å; E703-R901 IonicContact OE2-NH2 3.58Å; E703-R901 PolarHBondContact OE2-NH2 2.96Å; P758-R901 HydrophobicContact CB-CG 3.73Å; P758-R901 HydrophobicContact CG-CG 4.22Å; E762-R901 IonicContact OE2-CZ 2.76Å; E762-R901 IonicContact OE2-NH1 2.91Å; E762-R901 IonicContact OE2-NH2 3.46Å; E762-R901 PolarHBondContact OE2-NH2 3.05Å; R901-E903 PolarHBondContact O-N 2.85Å
902	M	86.8	Confident	80.7	Confident	8 Å²	8	64.9 Å²	64.9	4%	0.039	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-65	122.7	-179.9	-179.7	165.5	168.2	0	0	111.7	Y729 T731 M734 R735 M749 E900 G904 N905	Y729-M902 PolarHBondContact OH-N 2.93Å; T731-M902 HydrophobicContact CG2-CB 4.19Å; M734-M902 HydrophobicContact CB-SD 4.19Å; M734-M902 HydrophobicContact CE-CB 4.27Å; M734-M902 HydrophobicContact CE-SD 3.96Å; R735-M902 HydrophobicContact CG-CE 3.66Å; R735-M902 HydrophobicContact CG-SD 4.35Å; M749-M902 HydrophobicContact CB-CE 4.33Å; M749-M902 HydrophobicContact CE-CE 4.18Å; M749-M902 HydrophobicContact SD-CE 3.81Å; E900-M902 PolarHBondContact O-N 2.96Å; M902-G904 PolarHBondContact O-N 2.88Å; M902-N905 HydrophobicContact CB-CB 4.43Å; M902-N905 WeakPolarHBondContact O-CB 3.3Å; M902-N905 VanDerWaalsContact O-CG 3.26Å; M902-N905 PolarHBondContact O-N 2.92Å
903	E	82.6	Confident	81.3	Confident	170 Å²	170	60.7 Å²	60.7	79%	0.794	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	132	175.7	-167.5	-176.9	-178.1	0	0	111.5	R901 N905	R901-E903 PolarHBondContact O-N 2.85Å; E903-N905 VanDerWaalsContact C-N 3.35Å
904	G	75.8	Confident	82.3	Confident	49 Å²	49	61.1 Å²	61.1	51%	0.505	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	16.1	-178.4	0	0	0	0	0	115	M902 H906	M902-G904 PolarHBondContact O-N 2.88Å; G904-H906 PolarHBondContact O-CE1 3.01Å
905	N	81.3	Confident	83.6	Confident	31 Å²	31	60.7 Å²	60.7	17%	0.166	33%	0.325	C	S	.	.			trans	-67.1	157.3	171.8	72.9	2.8	0	0	0	112.1	M902 E903	M902-N905 HydrophobicContact CB-CB 4.43Å; M902-N905 WeakPolarHBondContact O-CB 3.3Å; M902-N905 VanDerWaalsContact O-CG 3.26Å; M902-N905 PolarHBondContact O-N 2.92Å; E903-N905 VanDerWaalsContact C-N 3.35Å
906	H	84.6	Confident	84.6	Confident	69 Å²	69	60.1 Å²	60.1	32%	0.319	31%	0.312	S	S	.	.			trans	-117.4	22.8	-177.3	-54	105.1	0	0	0	112.7	D751 G904 H908 R909	D751-H906 WeakPolarHBondContact OD1-CA 3.3Å; D751-H906 WeakPolarHBondContact OD1-CB 3.37Å; D751-H906 PolarHBondContact OD1-N 3.41Å; G904-H906 PolarHBondContact O-CE1 3.01Å; H906-H908 PolarHBondContact O-N 3.38Å; H906-R909 HydrophobicContact CB-CG 4.3Å; H906-R909 PolarHBondContact CD2-NH2 2.94Å; H906-R909 WeakPolarHBondContact O-CB 3.26Å; H906-R909 WeakPolarHBondContact O-CG 3.36Å; H906-R909 PolarHBondContact O-N 3.18Å
907	L	86.7	Confident	85.1	Confident	2 Å²	2	62.2 Å²	62.2	1%	0.01	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-52.2	-34.3	-178.3	-172.4	63	0	0	0	112.7	L633 F640 E703 D751 R909 Y910 S911	L633-L907 HydrophobicContact CD1-CD1 3.66Å; F640-L907 HydrophobicContact CE1-CD1 4.07Å; F640-L907 HydrophobicContact CZ-CD1 4.5Å; E703-L907 HydrophobicContact CG-CD2 4.23Å; D751-L907 HydrophobicContact CB-CD1 4.42Å; L907-R909 PolarHBondContact O-N 2.73Å; L907-Y910 PolarHBondContact O-N 3.41Å; L907-S911 VanDerWaalsContact O-CB 3.3Å; L907-S911 WeakPolarHBondContact O-CB 3.5Å; L907-S911 PolarHBondContact O-N 3.01Å
908	H	86.3	Confident	84.5	Confident	35 Å²	35	66.3 Å²	66.3	16%	0.162	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-56.6	-19.1	176	67.2	-93.7	0	0	0	115.3	H906 Y910 L914 P921	H906-H908 PolarHBondContact O-N 3.38Å; H908-Y910 VanDerWaalsContact C-N 3.3Å; H908-L914 HydrophobicContact CB-CB 3.88Å; H908-P921 HydrophobicContact CB-CB 3.99Å; H908-P921 HydrophobicContact CB-CG 4.15Å
909	R	83.4	Confident	83.8	Confident	128 Å²	128	66.8 Å²	66.8	48%	0.483	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-72.8	-26	175.1	-64.9	-174.7	-176.1	161.9	9	112.6	H906 L907	H906-R909 HydrophobicContact CB-CG 4.3Å; H906-R909 PolarHBondContact CD2-NH2 2.94Å; H906-R909 WeakPolarHBondContact O-CB 3.26Å; H906-R909 WeakPolarHBondContact O-CG 3.36Å; H906-R909 PolarHBondContact O-N 3.18Å; L907-R909 PolarHBondContact O-N 2.73Å
910	Y	82.8	Confident	83	Confident	64 Å²	64	73 Å²	73	25%	0.251	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118	-22.5	-171.5	-43	-51.4	0	0	0	112.2	P637 G638 F640 D751 L907 H908	P637-Y910 VanDerWaalsContact C-CE1 3.4Å; P637-Y910 HydrophobicContact CB-CD1 3.49Å; P637-Y910 VanDerWaalsContact CB-CD1 3.49Å; P637-Y910 HydrophobicContact CB-CE1 3.84Å; P637-Y910 HydrophobicContact CB-CG 4.15Å; P637-Y910 HydrophobicContact CG-CD1 3.98Å; P637-Y910 HydrophobicContact CG-CG 4.14Å; P637-Y910 WeakPolarHBondContact O-CE1 3.4Å; P637-Y910 PolarHBondContact O-OH 3.02Å; G638-Y910 VanDerWaalsContact CA-CE2 3.42Å; F640-Y910 HydrophobicContact CZ-CD2 4.06Å; D751-Y910 WeakPolarHBondContact OD2-CE2 3.36Å; L907-Y910 PolarHBondContact O-N 3.41Å; H908-Y910 VanDerWaalsContact C-N 3.3Å
911	S	87.4	Confident	82.5	Confident	3 Å²	3	67.6 Å²	67.6	2%	0.021	36%	0.361	C	S	.	.			trans	-63.7	134.5	179.5	178.7	0	0	0	0	112.3	E702 L907 V913 L914	E702-S911 WeakPolarHBondContact OE1-CA 3.5Å; E702-S911 VanDerWaalsContact OE1-CB 3.23Å; E702-S911 WeakPolarHBondContact OE1-CB 3.5Å; E702-S911 PolarHBondContact OE1-OG 2.86Å; E702-S911 VanDerWaalsContact OE2-CA 3.29Å; E702-S911 WeakPolarHBondContact OE2-CA 3.36Å; L907-S911 VanDerWaalsContact O-CB 3.3Å; L907-S911 WeakPolarHBondContact O-CB 3.5Å; L907-S911 PolarHBondContact O-N 3.01Å; S911-V913 PolarHBondContact OG-N 2.92Å; S911-L914 PolarHBondContact OG-N 2.89Å
912	K	88.5	Confident	82.3	Confident	54 Å²	54	67.1 Å²	67.1	24%	0.235	36%	0.362	C	S	.	.	S	Bend	trans	-73.5	-17.1	168.1	-69.2	160.8	-76.7	-161.8	0	112	Y630 N632 E702 R924	Y630-K912 HydrophobicContact CE2-CD 4.08Å; Y630-K912 VanDerWaalsContact O-CE 3.23Å; Y630-K912 WeakPolarHBondContact O-CE 2.8Å; Y630-K912 PolarHBondContact O-NZ 2.55Å; N632-K912 PolarHBondContact O-NZ 2.96Å; E702-K912 WeakPolarHBondContact OE2-CB 3.33Å; E702-K912 WeakPolarHBondContact OE2-CE 3.3Å; E702-K912 PolarHBondContact OE2-N 3.46Å; K912-R924 WeakPolarHBondContact O-CD 3.44Å
913	V	90.3	Very high	82.3	Confident	2 Å²	2	70.3 Å²	70.3	1%	0.012	38%	0.383	C	S	.	.	S	Bend	trans	-108	-31.8	-174.1	-179.7	0	0	0	0	112.1	E702 E703 F705 S911 P923 R924	E702-V913 HydrophobicContact CG-CG2 4.12Å; E703-V913 HydrophobicContact CB-CB 3.95Å; E703-V913 HydrophobicContact CB-CG1 3.97Å; E703-V913 HydrophobicContact CB-CG2 4.47Å; E703-V913 VanDerWaalsContact O-CG2 3.25Å; E703-V913 WeakPolarHBondContact O-CG2 3.43Å; F705-V913 HydrophobicContact CD1-CG1 3.84Å; F705-V913 HydrophobicContact CD2-CG2 4.04Å; F705-V913 HydrophobicContact CE1-CB 4.22Å; F705-V913 HydrophobicContact CE1-CG1 3.79Å; F705-V913 HydrophobicContact CE1-CG2 4.29Å; F705-V913 HydrophobicContact CE2-CB 4.44Å; F705-V913 HydrophobicContact CE2-CG2 3.65Å; F705-V913 HydrophobicContact CG-CG1 4.21Å; F705-V913 HydrophobicContact CZ-CB 4.11Å; F705-V913 HydrophobicContact CZ-CG1 4.15Å; F705-V913 HydrophobicContact CZ-CG2 3.78Å; S911-V913 PolarHBondContact OG-N 2.92Å; V913-P923 CarbonylContact O-C 3.51Å; V913-P923 VanDerWaalsContact O-CA 3.29Å; V913-P923 WeakPolarHBondContact O-CA 3.39Å; V913-R924 WeakPolarHBondContact O-CB 2.95Å; V913-R924 PolarHBondContact O-N 2.95Å
914	L	89.4	Confident	82.7	Confident	25 Å²	25	67.2 Å²	67.2	13%	0.131	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	143.4	-177.1	-60.9	179	0	0	0	113.1	E703 H908 S911 P921 K922 R924	E703-L914 HydrophobicContact CB-CG 4.42Å; E703-L914 HydrophobicContact CG-CD1 3.77Å; E703-L914 HydrophobicContact CG-CD2 4.39Å; E703-L914 HydrophobicContact CG-CG 3.93Å; H908-L914 HydrophobicContact CB-CB 3.88Å; S911-L914 PolarHBondContact OG-N 2.89Å; L914-P921 HydrophobicContact CB-CB 4.22Å; L914-P921 HydrophobicContact CD1-CB 4.15Å; L914-P921 HydrophobicContact CD2-CB 4.3Å; L914-P921 HydrophobicContact CG-CB 4.48Å; L914-K922 CarbonylContact C-O 3.44Å; L914-K922 WeakPolarHBondContact CA-O 3.01Å; L914-R924 PolarHBondContact O-NE 2.93Å; L914-R924 PolarHBondContact O-NH2 3.39Å
915	E	86.9	Confident	83.4	Confident	78 Å²	78	70 Å²	70	36%	0.364	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	155.1	168.9	59.3	171.9	-157.2	0	0	112.3	H917 P921 K922 R924	E915-H917 PolarHBondContact O-N 3.13Å; E915-P921 WeakPolarHBondContact O-CA 3.46Å; E915-K922 HydrophobicContact CG-CB 4.19Å; E915-K922 WeakPolarHBondContact CG-O 3.05Å; E915-K922 PolarHBondContact N-O 3.05Å; E915-K922 PolarHBondContact O-N 3.26Å; E915-R924 HydrophobicContact CB-CG 3.81Å; E915-R924 HydrophobicContact CG-CG 4.21Å
916	A	83.8	Confident	83.8	Confident	73 Å²	73	71.5 Å²	71.5	60%	0.603	38%	0.381	S	S	*	.			trans	-69.3	129.4	177.4	0	0	0	0	0	110.8
917	H	79.1	Confident	84.1	Confident	94 Å²	94	70.6 Å²	70.6	44%	0.435	38%	0.382	S	S	.	.			trans	-137.9	159.5	175.8	-160.9	50.9	0	0	0	111.5	E915 G919 K922	E915-H917 PolarHBondContact O-N 3.13Å; H917-G919 PolarHBondContact O-N 3.32Å; H917-K922 HydrophobicContact CB-CD 4.42Å; H917-K922 HydrophobicContact CB-CG 4.23Å; H917-K922 WeakPolarHBondContact CD2-CE 3.33Å; H917-K922 PolarHBondContact CD2-NZ 3.03Å; H917-K922 WeakPolarHBondContact NE2-CE 3.11Å; H917-K922 PolarHBondContact NE2-NZ 2.93Å
918	L	67.1	Low	84.2	Confident	177 Å²	177	75.2 Å²	75.2	93%	0.927	42%	0.42	S	S	*	.	S	Bend	trans	-71.1	95.5	172.6	-88.1	144.7	0	0	0	108.6
919	G	70.9	Confident	84.4	Confident	66 Å²	66	76.3 Å²	76.3	68%	0.68	43%	0.431	S	S	*	.	S	Bend	trans	118.3	-139	-172.2	0	0	0	0	0	110.8	H917	H917-G919 PolarHBondContact O-N 3.32Å
920	D	71.3	Confident	84.4	Confident	142 Å²	142	74.6 Å²	74.6	76%	0.759	44%	0.437	S	S	*	.	S	Bend	trans	-71	142.5	176.2	-63.8	-38.2	0	0	0	111.4
921	P	79	Confident	84.2	Confident	45 Å²	45	79.7 Å²	79.7	29%	0.292	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-54.3	142.2	174.1	-23.9	33.4	0	0	0	111.8	H908 L914 E915	H908-P921 HydrophobicContact CB-CB 3.99Å; H908-P921 HydrophobicContact CB-CG 4.15Å; L914-P921 HydrophobicContact CB-CB 4.22Å; L914-P921 HydrophobicContact CD1-CB 4.15Å; L914-P921 HydrophobicContact CD2-CB 4.3Å; L914-P921 HydrophobicContact CG-CB 4.48Å; E915-P921 WeakPolarHBondContact O-CA 3.46Å
922	K	83.9	Confident	84.1	Confident	94 Å²	94	82 Å²	82	41%	0.409	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	150.3	176.7	-77.9	-176.6	170.8	168.5	0	111.1	L914 E915 H917 R924	L914-K922 CarbonylContact C-O 3.44Å; L914-K922 WeakPolarHBondContact CA-O 3.01Å; E915-K922 HydrophobicContact CG-CB 4.19Å; E915-K922 WeakPolarHBondContact CG-O 3.05Å; E915-K922 PolarHBondContact N-O 3.05Å; E915-K922 PolarHBondContact O-N 3.26Å; H917-K922 HydrophobicContact CB-CD 4.42Å; H917-K922 HydrophobicContact CB-CG 4.23Å; H917-K922 WeakPolarHBondContact CD2-CE 3.33Å; H917-K922 PolarHBondContact CD2-NZ 3.03Å; H917-K922 WeakPolarHBondContact NE2-CE 3.11Å; H917-K922 PolarHBondContact NE2-NZ 2.93Å; K922-R924 PolarHBondContact O-N 2.66Å
923	P	86.5	Confident	84.1	Confident	75 Å²	75	83.2 Å²	83.2	49%	0.487	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	132.5	170.4	27.4	-31.9	0	0	0	110	V913	V913-P923 CarbonylContact O-C 3.51Å; V913-P923 VanDerWaalsContact O-CA 3.29Å; V913-P923 WeakPolarHBondContact O-CA 3.39Å
924	R	91	Very high	84.2	Confident	105 Å²	105	88 Å²	88	40%	0.396	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-61.2	159.1	167.2	-70.7	178.4	-171.5	-119.2	3.2	109.7	F705 K912 V913 L914 E915 K922 L926	F705-R924 HydrophobicContact CE1-CB 4.41Å; F705-R924 VanDerWaalsContact CE1-O 3.27Å; F705-R924 WeakPolarHBondContact CE1-O 3.47Å; K912-R924 WeakPolarHBondContact O-CD 3.44Å; V913-R924 WeakPolarHBondContact O-CB 2.95Å; V913-R924 PolarHBondContact O-N 2.95Å; L914-R924 PolarHBondContact O-NE 2.93Å; L914-R924 PolarHBondContact O-NH2 3.39Å; E915-R924 HydrophobicContact CB-CG 3.81Å; E915-R924 HydrophobicContact CG-CG 4.21Å; K922-R924 PolarHBondContact O-N 2.66Å; R924-L926 PolarHBondContact O-N 3.35Å
925	P	90.9	Very high	84.3	Confident	109 Å²	109	87.9 Å²	87.9	71%	0.708	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-62.7	137.3	168.3	26.7	-33.7	0	0	0	110.3
926	L	90.9	Very high	84.6	Confident	61 Å²	61	93 Å²	93	32%	0.319	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-51.4	123.2	174.4	-179.3	74.9	0	0	0	109.6	P683 T685 F705 E707 R924	P683-L926 HydrophobicContact CB-CD1 4.25Å; P683-L926 HydrophobicContact CG-CD1 4.46Å; T685-L926 HydrophobicContact CG2-CD1 4.43Å; T685-L926 HydrophobicContact CG2-CD2 4.11Å; F705-L926 HydrophobicContact CB-CD1 3.97Å; F705-L926 HydrophobicContact CD1-CD1 4.37Å; F705-L926 HydrophobicContact CD2-CD1 3.5Å; F705-L926 VanDerWaalsContact CD2-CD1 3.5Å; F705-L926 HydrophobicContact CE2-CD1 4.04Å; F705-L926 HydrophobicContact CG-CD1 3.69Å; E707-L926 HydrophobicContact CB-CD2 4.2Å; E707-L926 HydrophobicContact CG-CD2 4.34Å; R924-L926 PolarHBondContact O-N 3.35Å
927	P	90.7	Very high	84.9	Confident	51 Å²	51	93.5 Å²	93.5	33%	0.331	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-68.2	147.6	179.1	27.1	-33.1	0	0	0	110.6	P683 F705	P683-P927 HydrophobicContact CG-CG 3.8Å; F705-P927 HydrophobicContact CE2-CG 4.35Å
928	A	89.1	Confident	85.6	Confident	98 Å²	98	93 Å²	93	81%	0.81	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-62.9	140.2	172.9	0	0	0	0	0	110.3
929	C	89.5	Confident	86.7	Confident	59 Å²	59	88.3 Å²	88.3	40%	0.399	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-60	141.7	177	-64.9	0	0	0	0	111.4	C686 H931	C686-C929 WeakPolarHBondContact CA-SG 3.41Å; C686-C929 HydrophobicContact CB-CB 3.66Å; C686-C929 WeakPolarHBondContact CB-SG 3.28Å; C686-C929 WeakPolarHBondContact SG-CA 3.41Å; C686-C929 WeakPolarHBondContact SG-CB 3.44Å; C686-C929 CovalentContact SG-SG 2.04Å; C686-C929 PolarHBondContact SG-SG 3.37Å; C929-H931 PolarHBondContact O-N 3.27Å
930	P	83.9	Confident	87.6	Confident	92 Å²	92	87.1 Å²	87.1	60%	0.597	48%	0.484	S	S	*	.			trans	-61.8	105.6	-178.9	24.8	-33	0	0	0	109.6	A682 L932	A682-P930 HydrophobicContact CB-CG 3.96Å; P930-L932 PolarHBondContact O-N 2.97Å
931	H	78.8	Confident	88.4	Confident	170 Å²	170	86.9 Å²	86.9	79%	0.787	48%	0.483	S	S	*	.			trans	-89.1	102.5	177.9	-174.9	-75	0	0	0	109.5	C929 S933	C929-H931 PolarHBondContact O-N 3.27Å; H931-S933 PolarHBondContact O-N 3.36Å
932	L	84.6	Confident	88.7	Confident	53 Å²	53	90.9 Å²	90.9	28%	0.277	50%	0.497	S	S	.	.			trans	-71.3	114.2	174.3	-66.2	179.3	0	0	0	110	P513 A550 P930 W934	P513-L932 HydrophobicContact CB-CD1 3.96Å; P513-L932 HydrophobicContact CG-CD1 3.57Å; A550-L932 HydrophobicContact CB-CB 3.85Å; A550-L932 HydrophobicContact CB-CD2 4.19Å; A550-L932 HydrophobicContact CB-CG 4.41Å; P930-L932 PolarHBondContact O-N 2.97Å; L932-W934 HydrophobicContact CB-CZ2 4.25Å; L932-W934 HydrophobicContact CD1-CH2 3.84Å; L932-W934 HydrophobicContact CD1-CZ2 4.11Å; L932-W934 PolarHBondContact O-N 3.34Å
933	S	88.5	Confident	88.6	Confident	79 Å²	79	91.5 Å²	91.5	55%	0.552	51%	0.509	S	S	*	.			trans	-79.5	101	169.1	58.5	0	0	0	0	109.4	H931	H931-S933 PolarHBondContact O-N 3.36Å
934	W	91.9	Very high	88.1	Confident	101 Å²	101	88.7 Å²	88.7	38%	0.383	49%	0.492	S	S	.	.	B	Isolated β-bridge	trans	-62.7	133.6	178.3	-59.1	110.5	0	0	0	111.4	P513 E548 A550 L932	P513-W934 HydrophobicContact CG-CH2 4.24Å; E548-W934 HydrophobicContact CB-CD2 4.45Å; E548-W934 HydrophobicContact CB-CE3 3.97Å; E548-W934 HydrophobicContact CB-CZ3 4.44Å; E548-W934 HydrophobicContact CG-CD2 4.13Å; E548-W934 HydrophobicContact CG-CE3 3.72Å; E548-W934 HydrophobicContact CG-CH2 4.29Å; E548-W934 HydrophobicContact CG-CZ3 3.82Å; A550-W934 HydrophobicContact CB-CD2 4.39Å; A550-W934 HydrophobicContact CB-CE3 3.76Å; A550-W934 HydrophobicContact CB-CZ3 3.96Å; L932-W934 HydrophobicContact CB-CZ2 4.25Å; L932-W934 HydrophobicContact CD1-CH2 3.84Å; L932-W934 HydrophobicContact CD1-CZ2 4.11Å; L932-W934 PolarHBondContact O-N 3.34Å
935	A	92.7	Very high	87.3	Confident	23 Å²	23	86.7 Å²	86.7	19%	0.19	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-68.3	139.6	178.1	0	0	0	0	0	110.8	W536 V549 F551 P937	W536-A935 HydrophobicContact CB-CB 3.81Å; V549-A935 VanDerWaalsContact O-CB 3.31Å; V549-A935 WeakPolarHBondContact O-CB 3.42Å; V549-A935 PolarHBondContact O-N 2.88Å; F551-A935 HydrophobicContact CD2-CB 4.1Å; F551-A935 HydrophobicContact CE2-CB 3.47Å; F551-A935 VanDerWaalsContact CE2-CB 3.47Å; F551-A935 HydrophobicContact CZ-CB 4.26Å; A935-P937 WeakPolarHBondContact O-CD 3.39Å
936	K	92.1	Very high	86	Confident	186 Å²	186	86.9 Å²	86.9	81%	0.809	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-69.9	119.4	172.7	-67.8	-176.6	-178.9	179.7	0	108.5
937	P	91.3	Very high	84.6	Confident	83 Å²	83	88.7 Å²	88.7	54%	0.539	51%	0.507	S	S	.	.	B	Isolated β-bridge	trans	-69.2	134.3	-177.2	27.2	-33.4	0	0	0	110.9	P538 A935 P939	P538-P937 HydrophobicContact CG-CB 3.94Å; A935-P937 WeakPolarHBondContact O-CD 3.39Å; P937-P939 VanDerWaalsContact O-CD 3.3Å; P937-P939 WeakPolarHBondContact O-CD 3.27Å
938	Q	93.1	Very high	83.1	Confident	85 Å²	85	87.2 Å²	87.2	40%	0.397	50%	0.496	S	S	.	.			trans	-108.2	84.3	170	-67.5	178.8	9.9	0	0	108.7	D535 W536 Q537	D535-Q938 PolarHBondContact OD1-NE2 3.07Å; W536-Q938 PolarHBondContact O-N 3.37Å; Q537-Q938 WeakPolarHBondContact CA-O 3.42Å; Q537-Q938 HydrophobicContact CG-CB 4Å
939	P	89.8	Confident	81.2	Confident	77 Å²	77	86.9 Å²	86.9	50%	0.5	47%	0.474	S	S	.	.			trans	-67.5	138.3	-169.4	27.8	-35	0	0	0	112.3	P538 L540 P937	P538-P939 HydrophobicContact CG-CB 4.31Å; L540-P939 HydrophobicContact CD1-CB 4.08Å; L540-P939 HydrophobicContact CD2-CB 3.74Å; L540-P939 HydrophobicContact CG-CB 3.91Å; P937-P939 VanDerWaalsContact O-CD 3.3Å; P937-P939 WeakPolarHBondContact O-CD 3.27Å
940	L	90.1	Very high	79.1	Confident	41 Å²	41	89.5 Å²	89.5	22%	0.215	48%	0.478	C	S	.	.	B	Isolated β-bridge	trans	-109.4	132.3	176	-63.1	179.7	0	0	0	110.6	Q537 P538 Y539 L540 E942	Q537-L940 HydrophobicContact CB-CD1 4.01Å; Q537-L940 HydrophobicContact CB-CG 4.27Å; P538-L940 PolarHBondContact O-N 3.5Å; Y539-L940 HydrophobicContact CD1-CB 4.39Å; Y539-L940 HydrophobicContact CE1-CD1 4.21Å; L540-L940 PolarHBondContact N-O 3.41Å; L940-E942 PolarHBondContact O-N 3.38Å
941	N	87.9	Confident	77.2	Confident	138 Å²	138	87 Å²	87	74%	0.738	46%	0.458	S	S	*	.			trans	-90.1	43.6	172.9	-159.5	16	0	0	0	111.4	L540	L540-N941 HydrophobicContact CD1-CB 4.47Å
942	E	86.1	Confident	75.5	Confident	129 Å²	129	82.7 Å²	82.7	60%	0.603	44%	0.439	S	S	*	.	S	Bend	trans	-121.6	150.8	-179.6	-65.6	-176	179.9	0	0	109.5	Y539 P541 L940	Y539-E942 WeakPolarHBondContact CD1-O 3.34Å; P541-E942 WeakPolarHBondContact CD-O 3.28Å; L940-E942 PolarHBondContact O-N 3.38Å
943	T	80.6	Confident	73.4	Confident	107 Å²	107	86.3 Å²	86.3	66%	0.656	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-77.9	132.9	177.5	54.3	0	0	0	0	111.1	P541	P541-T943 HydrophobicContact CB-CG2 4.41Å
944	A	76.4	Confident	71.1	Confident	15 Å²	15	84 Å²	84	12%	0.124	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-57.2	145.3	174.2	0	0	0	0	0	112.1	Y539 Q542 Q582	Y539-A944 HydrophobicContact CD2-CB 3.53Å; Y539-A944 HydrophobicContact CE2-CB 3.92Å; Y539-A944 HydrophobicContact CG-CB 3.88Å; Q542-A944 HydrophobicContact CB-CB 4.44Å; Q542-A944 HydrophobicContact CG-CB 3.95Å; Q582-A944 HydrophobicContact CB-CB 4.2Å
945	P	74.5	Confident	68.4	Low	63 Å²	63	87 Å²	87	41%	0.409	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-63.6	135.9	178	22.5	-30.1	0	0	0	111.8	N947 L948	P945-N947 PolarHBondContact O-N 3.43Å; P945-L948 HydrophobicContact CG-CD2 4.03Å
946	S	64.5	Low	65.8	Low	114 Å²	114	88.6 Å²	88.6	80%	0.797	47%	0.466	S	S	*	.	S	Bend	trans	-73.2	-19.7	-173.6	54.2	0	0	0	0	115.2
947	N	60.4	Low	63.4	Low	99 Å²	99	81 Å²	81	53%	0.529	43%	0.434	S	S	.	.			trans	-128.4	91.5	-178.2	-72.8	-44.6	0	0	0	111.1	P945 W949 K950	P945-N947 PolarHBondContact O-N 3.43Å; N947-W949 VanDerWaalsContact C-N 3.26Å; N947-W949 PolarHBondContact O-N 3.41Å; N947-K950 HydrophobicContact CB-CG 4.5Å
948	L	59.5	Low	61	Low	19 Å²	19	79.9 Å²	79.9	10%	0.099	42%	0.423	C	S	.	.	S	Bend	trans	-70.7	-23.7	174.7	-57.3	-178.1	0	0	0	112.8	Y490 P610 K612 P945	Y490-L948 VanDerWaalsContact CD1-O 3.29Å; Y490-L948 WeakPolarHBondContact CD1-O 3.31Å; Y490-L948 HydrophobicContact CD2-CB 4.12Å; Y490-L948 HydrophobicContact CG-CB 4.25Å; P610-L948 HydrophobicContact CB-CD1 4.45Å; P610-L948 HydrophobicContact CB-CD2 3.51Å; P610-L948 HydrophobicContact CB-CG 4.49Å; P610-L948 HydrophobicContact CG-CD2 4.07Å; K612-L948 HydrophobicContact CB-CD1 3.66Å; K612-L948 HydrophobicContact CD-CD1 3.92Å; K612-L948 HydrophobicContact CG-CD1 4.46Å; P945-L948 HydrophobicContact CG-CD2 4.03Å
949	W	48.2	Very low	58.7	Low	92 Å²	92	78.1 Å²	78.1	35%	0.348	42%	0.416	S	S	.	.	S	Bend	trans	-76.5	-28.5	-175.5	-88.2	59.6	0	0	0	115.5	Y490 E495 Y498 N947 H951	Y490-W949 AromaticContact CE2-NE1 3.51Å; Y490-W949 AromaticContact CZ-CD1 3.96Å; Y490-W949 AromaticContact CZ-CE2 3.65Å; Y490-W949 AromaticContact CZ-CZ2 3.97Å; Y490-W949 AromaticContact CZ-NE1 3.43Å; Y490-W949 WeakPolarHBondContact OH-CZ2 3.25Å; Y490-W949 PolarHBondContact OH-NE1 2.8Å; Y490-W949 VanDerWaalsContact OH-NE1 3.1Å; E495-W949 HydrophobicContact CG-CZ2 4.05Å; E495-W949 VanDerWaalsContact OE1-CH2 3.27Å; E495-W949 WeakPolarHBondContact OE1-CH2 3.38Å; E495-W949 WeakPolarHBondContact OE1-CZ2 3.45Å; E495-W949 PolarHBondContact OE1-NE1 3.39Å; E495-W949 WeakPolarHBondContact OE2-CZ2 3.34Å; E495-W949 PolarHBondContact OE2-NE1 3.14Å; Y498-W949 AromaticContact CD1-CH2 3.56Å; Y498-W949 HydrophobicContact CD1-CH2 3.56Å; Y498-W949 AromaticContact CD1-CZ2 3.39Å; Y498-W949 HydrophobicContact CD1-CZ2 3.39Å; Y498-W949 AromaticContact CD2-CH2 3.92Å; Y498-W949 HydrophobicContact CD2-CH2 3.92Å; Y498-W949 HydrophobicContact CE1-CH2 4.21Å; Y498-W949 HydrophobicContact CE1-CZ2 4.09Å; Y498-W949 AromaticContact CG-CH2 3.38Å; Y498-W949 HydrophobicContact CG-CH2 3.38Å; Y498-W949 AromaticContact CG-CZ2 3.66Å; Y498-W949 HydrophobicContact CG-CZ2 3.66Å; N947-W949 VanDerWaalsContact C-N 3.26Å; N947-W949 PolarHBondContact O-N 3.41Å; W949-H951 PolarHBondContact O-N 2.97Å; W949-H951 VanDerWaalsContact O-N 3.11Å
950	K	46.3	Very low	56.4	Low	114 Å²	114	80 Å²	80	50%	0.496	42%	0.422	S	S	.	.	S	Bend	trans	-68.7	113.6	165.9	-74.6	-169.9	175.2	-170.3	0	103.7	N947 Q952 D960	N947-K950 HydrophobicContact CB-CG 4.5Å; K950-Q952 PolarHBondContact O-N 2.92Å; K950-D960 IonicContact NZ-OD1 2.95Å; K950-D960 IonicContact NZ-OD2 2.68Å; K950-D960 PolarHBondContact NZ-OD2 2.75Å
951	H	44.7	Very low	54.1	Low	38 Å²	38	85.8 Å²	85.8	18%	0.176	45%	0.446	C	S	.	.			trans	-33.5	129.7	170	-80.3	-68	0	0	0	107.6	A450 S489 W949 K953	A450-H951 PolarHBondContact O-CD2 2.87Å; A450-H951 VanDerWaalsContact O-CD2 3.23Å; A450-H951 PolarHBondContact O-NE2 2.83Å; S489-H951 PolarHBondContact OG-ND1 2.84Å; W949-H951 PolarHBondContact O-N 2.97Å; W949-H951 VanDerWaalsContact O-N 3.11Å; H951-K953 VanDerWaalsContact C-N 3.34Å; H951-K953 PolarHBondContact O-N 2.7Å
952	Q	41.8	Very low	51.9	Low	80 Å²	80	82.1 Å²	82.1	37%	0.374	43%	0.428	S	S	.	.			trans	-44.6	116.1	164.1	-85.6	-170.4	1.4	0	0	105.1	K608 K950 L954	K608-Q952 PolarHBondContact O-NE2 2.86Å; K608-Q952 PolarHBondContact O-OE1 3.29Å; K950-Q952 PolarHBondContact O-N 2.92Å; Q952-L954 PolarHBondContact O-N 3.27Å
953	K	41.4	Very low	49.7	Very low	130 Å²	130	82.2 Å²	82.2	57%	0.565	44%	0.437	S	S	*	.			trans	-44.5	116.9	-176.3	-66.6	177.6	176.3	-173.9	0	104	H951 L955 D958	H951-K953 VanDerWaalsContact C-N 3.34Å; H951-K953 PolarHBondContact O-N 2.7Å; K953-L955 VanDerWaalsContact C-N 3.33Å; K953-L955 WeakPolarHBondContact O-CA 3.45Å; K953-L955 PolarHBondContact O-N 2.96Å; K953-D958 IonicContact NZ-OD1 3.4Å
954	L	39.3	Very low	48	Very low	30 Å²	30	81.6 Å²	81.6	16%	0.157	43%	0.429	C	S	.	.			trans	-44.3	119.2	153.7	-70.5	165.5	0	0	0	101.8	A450 I476 Q483 Q952 S956 I957	A450-L954 HydrophobicContact CB-CD1 4.27Å; I476-L954 HydrophobicContact CD1-CD1 4.34Å; I476-L954 HydrophobicContact CG1-CD1 4.31Å; I476-L954 HydrophobicContact CG2-CD1 3.47Å; I476-L954 VanDerWaalsContact CG2-CD1 3.47Å; Q483-L954 HydrophobicContact CG-CD2 4.5Å; Q483-L954 VanDerWaalsContact NE2-CD2 3.29Å; Q952-L954 PolarHBondContact O-N 3.27Å; L954-S956 CarbonylContact O-C 2.91Å; L954-S956 PolarHBondContact O-N 3.37Å; L954-I957 HydrophobicContact CD1-CD1 4.46Å; L954-I957 PolarHBondContact O-N 3.14Å
955	L	36.8	Very low	46.2	Very low	165 Å²	165	84.4 Å²	84.4	86%	0.864	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-4.9	-160.5	-80.5	155.2	0	0	0	113.3	K953	K953-L955 VanDerWaalsContact C-N 3.33Å; K953-L955 WeakPolarHBondContact O-CA 3.45Å; K953-L955 PolarHBondContact O-N 2.96Å
956	S	37.3	Very low	44.4	Very low	55 Å²	55	89 Å²	89	39%	0.385	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-11	173.5	51.3	0	0	0	0	118.9	S479 L954	S479-S956 PolarHBondContact O-OG 3.46Å; L954-S956 CarbonylContact O-C 2.91Å; L954-S956 PolarHBondContact O-N 3.37Å
957	I	40.7	Very low	43.3	Very low	27 Å²	27	89.2 Å²	89.2	14%	0.138	45%	0.454	C	S	.	.			trans	-133.8	118	-166.6	-47.4	172.5	0	0	0	115.2	I476 S479 L954 L959	I476-I957 HydrophobicContact CB-CD1 4.21Å; I476-I957 HydrophobicContact CG1-CD1 3.81Å; I476-I957 HydrophobicContact CG2-CD1 4.48Å; S479-I957 WeakPolarHBondContact OG-CD1 3.38Å; S479-I957 WeakPolarHBondContact OG-CG1 3.42Å; L954-I957 HydrophobicContact CD1-CD1 4.46Å; L954-I957 PolarHBondContact O-N 3.14Å; I957-L959 HydrophobicContact CG2-CD2 4.2Å; I957-L959 HydrophobicContact CG2-CG 4.23Å
958	D	40.8	Very low	42	Very low	60 Å²	60	95.4 Å²	95.4	32%	0.321	47%	0.47	S	S	.	.			trans	-90.7	93.8	165.5	-162.3	12.7	0	0	0	109.6	K953 D960 K961	K953-D958 IonicContact NZ-OD1 3.4Å; D958-D960 PolarHBondContact O-N 3.13Å; D958-D960 VanDerWaalsContact O-N 3.09Å; D958-K961 HydrophobicContact CB-CB 4.48Å; D958-K961 HydrophobicContact CB-CD 4.35Å; D958-K961 HydrophobicContact CB-CG 4.45Å; D958-K961 PolarHBondContact O-N 3.41Å; D958-K961 WeakPolarHBondContact OD2-CD 3.4Å; D958-K961 VanDerWaalsContact OD2-CE 3.26Å; D958-K961 WeakPolarHBondContact OD2-CE 3.37Å; D958-K961 IonicContact OD2-NZ 2.79Å
959	L	44.6	Very low	40.9	Very low	48 Å²	48	98.5 Å²	98.5	25%	0.251	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-60.5	-18.9	-174.2	-73.5	154.9	0	0	0	114.2	R472 I957 K961 V962	R472-L959 HydrophobicContact CG-CD2 4.31Å; R472-L959 VanDerWaalsContact NH2-CD2 3.33Å; I957-L959 HydrophobicContact CG2-CD2 4.2Å; I957-L959 HydrophobicContact CG2-CG 4.23Å; L959-K961 VanDerWaalsContact C-N 3.33Å; L959-V962 VanDerWaalsContact O-CG2 3.25Å; L959-V962 WeakPolarHBondContact O-CG2 3.04Å
960	D	43.5	Very low	40.2	Very low	117 Å²	117	102 Å²	102	63%	0.626	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-83.5	-6.8	177.3	-63.6	-32.4	0	0	0	112.6	K950 D958	K950-D960 IonicContact NZ-OD1 2.95Å; K950-D960 IonicContact NZ-OD2 2.68Å; K950-D960 PolarHBondContact NZ-OD2 2.75Å; D958-D960 PolarHBondContact O-N 3.13Å; D958-D960 VanDerWaalsContact O-N 3.09Å
961	K	39.9	Very low	39.4	Very low	161 Å²	161	106.3 Å²	106.3	70%	0.7	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-107.3	23	177.7	-68.9	-175.4	-177.5	172.7	0	113.8	D958 L959 V963	D958-K961 HydrophobicContact CB-CB 4.48Å; D958-K961 HydrophobicContact CB-CD 4.35Å; D958-K961 HydrophobicContact CB-CG 4.45Å; D958-K961 PolarHBondContact O-N 3.41Å; D958-K961 WeakPolarHBondContact OD2-CD 3.4Å; D958-K961 VanDerWaalsContact OD2-CE 3.26Å; D958-K961 WeakPolarHBondContact OD2-CE 3.37Å; D958-K961 IonicContact OD2-NZ 2.79Å; L959-K961 VanDerWaalsContact C-N 3.33Å; K961-V963 PolarHBondContact O-N 2.85Å
962	V	42.2	Very low	38.6	Very low	61 Å²	61	110.1 Å²	110.1	37%	0.37	56%	0.56	S	S	.	*			trans	-74.8	99.5	-178.6	175.6	0	0	0	0	110.1	Q475 L959	Q475-V962 VanDerWaalsContact OE1-CG1 3.23Å; L959-V962 VanDerWaalsContact O-CG2 3.25Å; L959-V962 WeakPolarHBondContact O-CG2 3.04Å
963	V	40.5	Very low	37.9	Very low	132 Å²	132	114.7 Å²	114.7	80%	0.8	58%	0.582	S	S	*	*			trans	-90.2	104.3	168.6	-177.6	0	0	0	0	107.9	K961	K961-V963 PolarHBondContact O-N 2.85Å
964	L	44.4	Very low	37.5	Very low	93 Å²	93	115 Å²	115	49%	0.487	59%	0.594	S	S	.	*			trans	-62.7	140.8	166	-71.1	167.3	0	0	0	108.7	N966	L964-N966 PolarHBondContact O-N 3.49Å; L964-N966 VanDerWaalsContact O-N 3.11Å
965	P	39.9	Very low	36.8	Very low	75 Å²	75	123.5 Å²	123.5	49%	0.487	62%	0.624	S	S	.	*			trans	-56.9	123.6	169.3	-15.5	27.1	0	0	0	108.1	M207 F967	M207-P965 HydrophobicContact CE-CG 4.3Å; P965-F967 HydrophobicContact CB-CD2 3.95Å; P965-F967 HydrophobicContact CB-CE2 3.61Å; P965-F967 HydrophobicContact CB-CZ 4.25Å; P965-F967 HydrophobicContact CG-CE2 4.06Å; P965-F967 WeakPolarHBondContact O-CD2 3.24Å; P965-F967 PolarHBondContact O-N 3.22Å
966	N	35	Very low	36.5	Very low	158 Å²	158	121.5 Å²	121.5	85%	0.845	62%	0.621	S	S	*	*			trans	-74.5	78.4	-178.4	-135.8	-1	0	0	0	108	L964 R968	L964-N966 PolarHBondContact O-N 3.49Å; L964-N966 VanDerWaalsContact O-N 3.11Å; N966-R968 VanDerWaalsContact C-N 3.31Å; N966-R968 PolarHBondContact O-N 2.91Å
967	F	41.6	Very low	36	Very low	119 Å²	119	127 Å²	127	52%	0.522	65%	0.646	S	S	.	*			trans	-69.9	94.3	172.5	-74.4	-75.9	0	0	0	107.8	M207 P965 S969	M207-F967 HydrophobicContact CE-CE2 3.83Å; M207-F967 HydrophobicContact CG-CE2 4.17Å; M207-F967 HydrophobicContact CG-CZ 4.25Å; P965-F967 HydrophobicContact CB-CD2 3.95Å; P965-F967 HydrophobicContact CB-CE2 3.61Å; P965-F967 HydrophobicContact CB-CZ 4.25Å; P965-F967 HydrophobicContact CG-CE2 4.06Å; P965-F967 WeakPolarHBondContact O-CD2 3.24Å; P965-F967 PolarHBondContact O-N 3.22Å; F967-S969 VanDerWaalsContact C-N 3.34Å; F967-S969 PolarHBondContact O-N 2.82Å
968	R	33.8	Very low	35.5	Very low	230 Å²	230	130.7 Å²	130.7	87%	0.868	67%	0.674	S	S	*	*			trans	-59	102.6	162.5	-78.2	-176.8	176.9	179.4	-0.3	106.6	N966 N970	N966-R968 VanDerWaalsContact C-N 3.31Å; N966-R968 PolarHBondContact O-N 2.91Å; R968-N970 PolarHBondContact O-N 2.71Å
969	S	36	Very low	35.2	Very low	83 Å²	83	134.4 Å²	134.4	58%	0.58	70%	0.701	S	S	*	*			trans	-59.8	113.8	164.1	72.2	0	0	0	0	106.6	F967 R971	F967-S969 VanDerWaalsContact C-N 3.34Å; F967-S969 PolarHBondContact O-N 2.82Å; S969-R971 PolarHBondContact O-N 2.92Å
970	N	33	Very low	34.8	Very low	166 Å²	166	135.4 Å²	135.4	89%	0.888	72%	0.722	S	S	*	*			trans	-66.3	72.3	154.8	-87	-11.1	0	0	0	107.1	R968	R968-N970 PolarHBondContact O-N 2.71Å
971	R	30.7	Very low	34.1	Very low	204 Å²	204	139.6 Å²	139.6	77%	0.77	74%	0.738	S	S	*	*			trans	-71	127.1	155.2	-82.4	178.9	177.2	-176.9	1	105.1	S969 Q973	S969-R971 PolarHBondContact O-N 2.92Å; R971-Q973 PolarHBondContact O-N 2.61Å
972	P	27.5	Very low	33.7	Very low	119 Å²	119	137.7 Å²	137.7	77%	0.773	75%	0.746	S	S	*	*			trans	-54.9	116.7	163	22.9	-29.4	0	0	0	106.5	V974	P972-V974 PolarHBondContact O-N 3.08Å
973	Q	27	Very low	33.1	Very low	176 Å²	176	138.5 Å²	138.5	82%	0.822	77%	0.766	S	S	*	*			trans	-64.2	100.6	178.1	-78	-163.5	-7.1	0	0	108.1	R971 R975	R971-Q973 PolarHBondContact O-N 2.61Å; Q973-R975 VanDerWaalsContact C-N 3.33Å; Q973-R975 PolarHBondContact O-N 3.27Å; Q973-R975 VanDerWaalsContact O-N 3.07Å
974	V	32.2	Very low	32.5	Very low	137 Å²	137	136.6 Å²	136.6	83%	0.83	76%	0.764	S	S	*	*			trans	-67.5	102.5	154	-179.3	0	0	0	0	105.4	P972	P972-V974 PolarHBondContact O-N 3.08Å
975	R	25.7	Very low	31.6	Very low	208 Å²	208	143 Å²	143	79%	0.785	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-54	132.5	172.2	-77.4	-179.3	176.1	178.5	-1.3	108.7	Q973 L977	Q973-R975 VanDerWaalsContact C-N 3.33Å; Q973-R975 PolarHBondContact O-N 3.27Å; Q973-R975 VanDerWaalsContact O-N 3.07Å; R975-L977 PolarHBondContact O-N 3.47Å
976	P	29.5	Very low	31	Very low	123 Å²	123	145.8 Å²	145.8	80%	0.799	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-66.6	119.6	163.1	-2.4	17.3	0	0	0	107.5	S978	P976-S978 PolarHBondContact O-N 2.66Å
977	L	27.7	Very low	30.6	Very low	171 Å²	171	146 Å²	146	90%	0.895	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-62.8	118.7	166.1	-78.5	156.2	0	0	0	108.1	R975	R975-L977 PolarHBondContact O-N 3.47Å
978	S	30.6	Very low	30.2	Very low	104 Å²	104	146.2 Å²	146.2	73%	0.727	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-65.2	145.3	160.3	-61.2	0	0	0	0	108.8	P976 G980	P976-S978 PolarHBondContact O-N 2.66Å; S978-G980 PolarHBondContact O-N 3.48Å
979	P	33.3	Very low	29.8	Very low	138 Å²	138	139 Å²	139	90%	0.896	80%	0.803	S	S	*	*	S	Bend	trans	-76.7	119.1	-175	0.6	16.1	0	0	0	110.1
980	G	37.6	Very low	29.3	Very low	68 Å²	68	138.4 Å²	138.4	70%	0.701	81%	0.81	S	S	*	*			trans	110.9	88.1	169.6	0	0	0	0	0	113	S978	S978-G980 PolarHBondContact O-N 3.48Å
981	E	28.9	Very low	28.9	Very low	205 Å²	205	138.9 Å²	138.9	96%	0.958	81%	0.81	S	S	*	*			trans	174.8	136.2	130.1	-96.3	171.9	-178.1	0	0	110.2
982	S	31.5	Very low	28.6	Very low	122 Å²	122	137.2 Å²	137.2	85%	0.853	81%	0.813	S	S	*	*			trans	-98.1	125.1	-176.5	47.8	0	0	0	0	111.4
983	G	28.1	Very low	29.4	Very low	78 Å²	78	137.5 Å²	137.5	80%	0.804	82%	0.815	S	S	*	*			trans	89.8	136.2	143.3	0	0	0	0	0	120
984	A	27.8	Very low	29.3	Very low	91 Å²	91	132.8 Å²	132.8	75%	0.752	81%	0.814	S	S	*	*			trans	98.3	106	148.3	0	0	0	0	0	121.2
985	W	26.2	Very low	29.1	Very low	228 Å²	228	137.9 Å²	137.9	86%	0.864	82%	0.818	S	S	*	*			trans	54.8	112.9	133.7	-58.1	103.6	0	0	0	123.8
986	D	26.6	Very low	29	Very low	134 Å²	134	139 Å²	139	72%	0.717	82%	0.824	S	S	*	*				63.9	137.1	124	-75.4	-1.1	0	0	0	126.6
987	I	27.4	Very low	28.9	Very low	162 Å²	162	139.5 Å²	139.5	83%	0.831	82%	0.82	S	S	*	*			trans	99.8	135.4	152.4	-45.5	-156.7	0	0	0	119
988	P	32.5	Very low	29.1	Very low	123 Å²	123	139.5 Å²	139.5	80%	0.799	82%	0.816	S	S	*	*			trans	-112.6	162.9	-152.5	40.7	-28.2	0	0	0	115.6
989	G	25.9	Very low	28.9	Very low	80 Å²	80	144 Å²	144	83%	0.825	83%	0.825	S	S	*	*			trans	165.8	112.6	160.8	0	0	0	0	0	115.9
990	G	25	Very low	29.1	Very low	70 Å²	70	144.7 Å²	144.7	72%	0.722	83%	0.826	S	S	*	*			trans	84.5	130.1	131.1	0	0	0	0	0	121.7
991	I	25.2	Very low	28.8	Very low	175 Å²	175	144.4 Å²	144.4	90%	0.897	82%	0.824	S	S	*	*			trans	93.9	106.9	137.7	-53.6	166.6	0	0	0	117.6
992	M	24.8	Very low	29.2	Very low	169 Å²	169	143.6 Å²	143.6	83%	0.833	82%	0.82	S	S	*	*			trans	-71.1	170.1	150.8	-74.5	-84.6	-117	0	0	110
993	P	43.7	Very low	29.8	Very low	125 Å²	125	143.7 Å²	143.7	81%	0.812	82%	0.815	S	S	*	*			cis	-142.6	-175.2	11.9	29.5	-4.1	0	0	0	114.5
994	G	24.5	Very low	30.8	Very low	77 Å²	77	147 Å²	147	79%	0.794	81%	0.813	S	S	*	*			trans	165	115.2	156.6	0	0	0	0	0	117.9
995	R	27.7	Very low	31.6	Very low	245 Å²	245	147.4 Å²	147.4	93%	0.925	81%	0.808	S	S	*	*			trans	-66.7	147.1	163.5	-77.8	171.8	164.7	172.1	-5.2	111.1
996	Y	25	Very low	32.7	Very low	231 Å²	231	141 Å²	141	91%	0.906	79%	0.794	S	S	*	*				-172.1	153.7	125.8	-124.8	-100.1	0	0	0	113.1
997	N	27.3	Very low	33.8	Very low	133 Å²	133	142.5 Å²	142.5	71%	0.711	80%	0.795	S	S	*	*			trans	-78.6	163.6	-177.6	-87.3	-21.8	0	0	0	114.4
998	Q	30.5	Very low	35	Very low	172 Å²	172	138.2 Å²	138.2	80%	0.804	78%	0.783	S	S	*	*			trans	58.1	116.9	146.8	-89	165.6	-47.3	0	0	119.1
999	E	28.4	Very low	35.9	Very low	198 Å²	198	139.5 Å²	139.5	93%	0.925	78%	0.777	S	S	*	*				-175.5	155.2	105.3	-99.3	-179	-171.6	0	0	113.3
1000	V	37.1	Very low	37.3	Very low	152 Å²	152	140.9 Å²	140.9	92%	0.921	76%	0.764	S	S	*	*			trans	-90.9	141.7	-171.5	172.5	0	0	0	0	109.6
1001	G	30.2	Very low	39.2	Very low	63 Å²	63	139.4 Å²	139.4	65%	0.649	75%	0.749	S	S	*	*			trans	161.8	127.1	155.5	0	0	0	0	0	116.8
1002	Q	38.4	Very low	41.2	Very low	187 Å²	187	133.5 Å²	133.5	87%	0.874	73%	0.727	S	S	*	*			trans	84.2	87.8	157.1	-51.8	-164.9	-6	0	0	118.4
1003	T	43.6	Very low	43	Very low	124 Å²	124	130.6 Å²	130.6	76%	0.761	71%	0.713	S	S	*	*			trans	-171.6	45	135.6	34.5	0	0	0	0	111.1	P1005	T1003-P1005 VanDerWaalsContact C-CD 3.46Å
1004	I	48.2	Very low	44.3	Very low	148 Å²	148	129.6 Å²	129.6	76%	0.759	70%	0.704	S	S	*	*			trans	-90.6	-9.6	179.7	-66.2	177.6	0	0	0	115.9	V1006	I1004-V1006 PolarHBondContact O-N 3.2Å
1005	P	45.8	Very low	46.4	Very low	99 Å²	99	130 Å²	130	64%	0.643	69%	0.69	S	S	*	*	H	α-helix	trans	-87.5	-4.6	-173.5	33.9	-32.1	0	0	0	115.9	T1003	T1003-P1005 VanDerWaalsContact C-CD 3.46Å
1006	V	49	Very low	48.4	Very low	94 Å²	94	123.1 Å²	123.1	57%	0.57	67%	0.672	S	S	*	*	H	α-helix	trans	-95	-35.4	-174.6	-176.2	0	0	0	0	113.2	I1004 L1010	I1004-V1006 PolarHBondContact O-N 3.2Å; V1006-L1010 HydrophobicContact CG1-CD1 4.47Å; V1006-L1010 PolarHBondContact O-N 2.83Å
1007	F	49.8	Very low	50.5	Low	166 Å²	166	114.8 Å²	114.8	73%	0.728	65%	0.651	S	S	*	*	H	α-helix	trans	-78.9	-29.3	-178.4	-71.3	-75.5	0	0	0	113.6	F1009 G1011	F1007-F1009 VanDerWaalsContact C-N 3.33Å; F1007-G1011 PolarHBondContact O-N 3.37Å; F1007-G1011 VanDerWaalsContact O-N 3.12Å
1008	A	51.8	Low	52.7	Low	72 Å²	72	114.9 Å²	114.9	60%	0.595	65%	0.645	S	S	*	*	H	α-helix	trans	-67.5	-34.9	173.9	0	0	0	0	0	111.9	A1012	A1008-A1012 PolarHBondContact O-N 3.24Å
1009	F	52.6	Low	54.5	Low	150 Å²	150	112.7 Å²	112.7	66%	0.658	63%	0.633	S	S	*	*	H	α-helix	trans	-71.8	-39.4	178.9	-127.2	-87.1	0	0	0	112.5	F1007 A1012 M1013	F1007-F1009 VanDerWaalsContact C-N 3.33Å; F1009-A1012 PolarHBondContact O-N 2.62Å; F1009-M1013 PolarHBondContact O-N 3.09Å
1010	L	55.3	Low	56.6	Low	108 Å²	108	106.9 Å²	106.9	57%	0.565	61%	0.611	S	S	*	*	H	α-helix	trans	-67.2	-38	174.8	-88.6	157.4	0	0	0	112.3	V1006 M1013 V1014	V1006-L1010 HydrophobicContact CG1-CD1 4.47Å; V1006-L1010 PolarHBondContact O-N 2.83Å; L1010-M1013 PolarHBondContact O-N 3.26Å; L1010-V1014 WeakPolarHBondContact O-CG2 3.44Å; L1010-V1014 PolarHBondContact O-N 3.26Å
1011	G	63.8	Low	58.3	Low	39 Å²	39	103.9 Å²	103.9	40%	0.402	59%	0.592	S	S	.	*	H	α-helix	trans	-62.9	-42.7	175	0	0	0	0	0	113	F1007 M1013 V1014 V1015	F1007-G1011 PolarHBondContact O-N 3.37Å; F1007-G1011 VanDerWaalsContact O-N 3.12Å; G1011-M1013 PolarHBondContact O-N 3.39Å; G1011-V1014 PolarHBondContact O-N 2.61Å; G1011-V1015 WeakPolarHBondContact O-CG2 2.96Å; G1011-V1015 PolarHBondContact O-N 3.07Å
1012	A	67.4	Low	59.9	Low	52 Å²	52	105.9 Å²	105.9	43%	0.43	59%	0.585	S	S	.	*	H	α-helix	trans	-65	-37.6	179.1	0	0	0	0	0	112.8	A1008 F1009 V1015 L1016	A1008-A1012 PolarHBondContact O-N 3.24Å; F1009-A1012 PolarHBondContact O-N 2.62Å; A1012-V1015 PolarHBondContact O-N 2.89Å; A1012-L1016 PolarHBondContact O-N 3.32Å; A1012-L1016 VanDerWaalsContact O-N 3.08Å
1013	M	62.9	Low	61.2	Low	108 Å²	108	101.5 Å²	101.5	53%	0.532	57%	0.567	S	S	.	*	H	α-helix	trans	-67.3	-35.8	178.9	-76.1	-68.3	133.6	0	0	113.2	F1009 L1010 G1011 L1016 A1017	F1009-M1013 PolarHBondContact O-N 3.09Å; L1010-M1013 PolarHBondContact O-N 3.26Å; G1011-M1013 PolarHBondContact O-N 3.39Å; M1013-L1016 HydrophobicContact CE-CD1 4.43Å; M1013-L1016 PolarHBondContact O-N 3.42Å; M1013-A1017 WeakPolarHBondContact O-CB 3.5Å; M1013-A1017 PolarHBondContact O-N 3.31Å
1014	V	70.1	Confident	61.7	Low	103 Å²	103	100.7 Å²	100.7	62%	0.624	56%	0.557	S	S	*	*	H	α-helix	trans	-69.1	-37.7	177.7	174.4	0	0	0	0	111.3	L1010 G1011 A1017 F1018	L1010-V1014 WeakPolarHBondContact O-CG2 3.44Å; L1010-V1014 PolarHBondContact O-N 3.26Å; G1011-V1014 PolarHBondContact O-N 2.61Å; V1014-A1017 PolarHBondContact O-N 3.05Å; V1014-F1018 PolarHBondContact O-N 3.3Å; V1014-F1018 VanDerWaalsContact O-N 3.11Å
1015	V	70.5	Confident	61.9	Low	85 Å²	85	101.3 Å²	101.3	52%	0.515	56%	0.555	S	S	.	*	H	α-helix	trans	-68.3	-40.5	176.6	176.7	0	0	0	0	111	G1011 A1012 F1018 F1019	G1011-V1015 WeakPolarHBondContact O-CG2 2.96Å; G1011-V1015 PolarHBondContact O-N 3.07Å; A1012-V1015 PolarHBondContact O-N 2.89Å; V1015-F1018 PolarHBondContact O-N 3.19Å; V1015-F1019 HydrophobicContact CG1-CD2 4.09Å; V1015-F1019 HydrophobicContact CG1-CE2 4.16Å; V1015-F1019 WeakPolarHBondContact O-CD2 3.27Å; V1015-F1019 PolarHBondContact O-N 2.68Å; V1015-F1019 VanDerWaalsContact O-N 3.15Å
1016	L	68.6	Low	62.1	Low	102 Å²	102	100.6 Å²	100.6	53%	0.534	56%	0.557	S	S	.	*	H	α-helix	trans	-62.8	-42.8	175.3	-113.8	151.3	0	0	0	112.2	A1012 M1013 F1018 F1019 V1020	A1012-L1016 PolarHBondContact O-N 3.32Å; A1012-L1016 VanDerWaalsContact O-N 3.08Å; M1013-L1016 HydrophobicContact CE-CD1 4.43Å; M1013-L1016 PolarHBondContact O-N 3.42Å; L1016-F1018 VanDerWaalsContact C-N 3.3Å; L1016-F1018 PolarHBondContact O-N 2.02Å; L1016-F1019 PolarHBondContact O-N 3.48Å; L1016-V1020 WeakPolarHBondContact O-CG2 3.48Å; L1016-V1020 PolarHBondContact O-N 2.96Å
1017	A	69.2	Low	61.9	Low	56 Å²	56	104.4 Å²	104.4	46%	0.463	57%	0.566	S	S	.	*	H	α-helix	trans	-62	-37.9	175.7	0	0	0	0	0	112.3	M1013 V1014 V1020 V1021	M1013-A1017 WeakPolarHBondContact O-CB 3.5Å; M1013-A1017 PolarHBondContact O-N 3.31Å; V1014-A1017 PolarHBondContact O-N 3.05Å; A1017-V1020 PolarHBondContact O-N 3.12Å; A1017-V1021 WeakPolarHBondContact O-CG2 3.49Å; A1017-V1021 PolarHBondContact O-N 2.73Å
1018	F	72.9	Confident	61.8	Low	135 Å²	135	100.8 Å²	100.8	59%	0.592	56%	0.561	S	S	*	*	H	α-helix	trans	-65.1	-40.8	177.1	-173.2	-97.6	0	0	0	112.5	V1014 V1015 L1016 V1021 Q1022	V1014-F1018 PolarHBondContact O-N 3.3Å; V1014-F1018 VanDerWaalsContact O-N 3.11Å; V1015-F1018 PolarHBondContact O-N 3.19Å; L1016-F1018 VanDerWaalsContact C-N 3.3Å; L1016-F1018 PolarHBondContact O-N 2.02Å; F1018-V1021 PolarHBondContact O-N 3.13Å; F1018-Q1022 HydrophobicContact CE1-CG 4.29Å; F1018-Q1022 PolarHBondContact O-N 2.97Å
1019	F	68.2	Low	61.3	Low	126 Å²	126	108.6 Å²	108.6	55%	0.553	58%	0.575	S	S	*	*	H	α-helix	trans	-70.6	-37.4	177.6	-89.5	-79.3	0	0	0	113	V1015 L1016 V1021 Q1022 I1023	V1015-F1019 HydrophobicContact CG1-CD2 4.09Å; V1015-F1019 HydrophobicContact CG1-CE2 4.16Å; V1015-F1019 WeakPolarHBondContact O-CD2 3.27Å; V1015-F1019 PolarHBondContact O-N 2.68Å; V1015-F1019 VanDerWaalsContact O-N 3.15Å; L1016-F1019 PolarHBondContact O-N 3.48Å; F1019-V1021 VanDerWaalsContact C-N 3.32Å; F1019-V1021 PolarHBondContact O-N 3.23Å; F1019-Q1022 PolarHBondContact O-N 2.78Å; F1019-I1023 VanDerWaalsContact O-CG1 3.29Å; F1019-I1023 WeakPolarHBondContact O-CG1 3.29Å; F1019-I1023 PolarHBondContact O-N 3.46Å
1020	V	74	Confident	60.8	Low	75 Å²	75	107.8 Å²	107.8	46%	0.455	59%	0.585	S	S	.	*	H	α-helix	trans	-63.7	-37.7	176.1	172.4	0	0	0	0	111.5	L1016 A1017 I1023 N1024	L1016-V1020 WeakPolarHBondContact O-CG2 3.48Å; L1016-V1020 PolarHBondContact O-N 2.96Å; A1017-V1020 PolarHBondContact O-N 3.12Å; V1020-I1023 PolarHBondContact O-N 3.44Å; V1020-N1024 PolarHBondContact O-N 3.45Å
1021	V	72.6	Confident	60.1	Low	89 Å²	89	112.8 Å²	112.8	54%	0.539	60%	0.602	S	S	.	*	H	α-helix	trans	-68.4	-37.8	176.7	171.7	0	0	0	0	112.1	A1017 F1018 F1019 K1025	A1017-V1021 WeakPolarHBondContact O-CG2 3.49Å; A1017-V1021 PolarHBondContact O-N 2.73Å; F1018-V1021 PolarHBondContact O-N 3.13Å; F1019-V1021 VanDerWaalsContact C-N 3.32Å; F1019-V1021 PolarHBondContact O-N 3.23Å; V1021-K1025 PolarHBondContact O-N 3.22Å
1022	Q	62.2	Low	58.8	Low	106 Å²	106	123.1 Å²	123.1	50%	0.495	63%	0.629	S	S	.	*	H	α-helix	trans	-66.8	-41.4	175.3	-80.1	-75.6	-3	0	0	112.1	F1018 F1019 K1025 A1026	F1018-Q1022 HydrophobicContact CE1-CG 4.29Å; F1018-Q1022 PolarHBondContact O-N 2.97Å; F1019-Q1022 PolarHBondContact O-N 2.78Å; Q1022-K1025 PolarHBondContact O-N 3.49Å; Q1022-A1026 PolarHBondContact O-N 3.33Å
1023	I	66.3	Low	57.2	Low	95 Å²	95	132.4 Å²	132.4	49%	0.487	65%	0.653	S	S	.	*	H	α-helix	trans	-69.4	-35.6	-180	-67.3	167.8	0	0	0	111.4	F1019 V1020 A1026	F1019-I1023 VanDerWaalsContact O-CG1 3.29Å; F1019-I1023 WeakPolarHBondContact O-CG1 3.29Å; F1019-I1023 PolarHBondContact O-N 3.46Å; V1020-I1023 PolarHBondContact O-N 3.44Å; I1023-A1026 PolarHBondContact O-N 3.46Å
1024	N	55.3	Low	56	Low	106 Å²	106	137.1 Å²	137.1	57%	0.567	67%	0.67	S	S	*	*	H	α-helix	trans	-71.5	-30.4	175.2	-83.8	-19.2	0	0	0	113.3	V1020 A1026	V1020-N1024 PolarHBondContact O-N 3.45Å; N1024-A1026 VanDerWaalsContact C-N 3.28Å; N1024-A1026 PolarHBondContact O-N 3.22Å
1025	K	50.9	Low	54.4	Low	162 Å²	162	138.1 Å²	138.1	70%	0.704	68%	0.679	S	S	*	*	H	α-helix	trans	-69.5	-24.2	172	-94.5	-178.4	174.3	175.4	0	113.5	V1021 Q1022	V1021-K1025 PolarHBondContact O-N 3.22Å; Q1022-K1025 PolarHBondContact O-N 3.49Å
1026	A	49.9	Very low	52.5	Low	83 Å²	83	146 Å²	146	69%	0.686	70%	0.7	S	S	*	*	H	α-helix	trans	-80.2	-18.6	179.9	0	0	0	0	0	114	Q1022 I1023 N1024	Q1022-A1026 PolarHBondContact O-N 3.33Å; I1023-A1026 PolarHBondContact O-N 3.46Å; N1024-A1026 VanDerWaalsContact C-N 3.28Å; N1024-A1026 PolarHBondContact O-N 3.22Å
1027	K	45.3	Very low	51	Low	174 Å²	174	147.7 Å²	147.7	76%	0.757	71%	0.714	S	S	*	*	S	Bend	trans	-92.8	-6.4	-176	-76.1	-175.5	176.6	179.2	0	115.5
1028	S	48.4	Very low	49.1	Very low	90 Å²	90	154.9 Å²	154.9	63%	0.629	73%	0.734	S	S	*	*			trans	-118.9	69.7	-176.9	69.2	0	0	0	0	113.6
1029	R	41.7	Very low	47.3	Very low	236 Å²	236	157.8 Å²	157.8	89%	0.891	74%	0.742	S	S	*	*			trans	-140.7	119.8	157.1	-76.1	-166.7	172.9	-174.9	-2.3	111.4
1030	P	41.1	Very low	45.7	Very low	133 Å²	133	158.1 Å²	158.1	86%	0.864	76%	0.756	S	S	*	*			trans	-79.8	150.8	175.4	30.7	-31.1	0	0	0	112.9
1031	K	40.4	Very low	43.9	Very low	214 Å²	214	161.3 Å²	161.3	93%	0.93	77%	0.766	S	S	*	*			trans	-61.1	144.5	-176.5	-70.6	171.1	173.5	172.5	0	113.9
1032	R	36.8	Very low	42	Very low	255 Å²	255	164.9 Å²	164.9	96%	0.962	78%	0.781	S	S	*	*			trans	-137.5	139.5	152.6	-124.5	178	-179.1	-175.7	-0.1	112
1033	R	33.8	Very low	40.7	Very low	248 Å²	248	168 Å²	168	94%	0.936	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-73.1	152.7	-163.6	-76.1	172.5	165.4	173	-5.2	114.6
1034	K	37.3	Very low	39	Very low	206 Å²	206	171.2 Å²	171.2	90%	0.896	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-74.4	149.1	175.9	-64.3	177.9	175	-178.8	0	113.2
1035	P	36.7	Very low	37.8	Very low	124 Å²	124	173.8 Å²	173.8	81%	0.805	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-96.9	155.7	145.9	17.9	0.3	0	0	0	111.9
1036	R	30.8	Very low	36.8	Very low	252 Å²	252	171.3 Å²	171.3	95%	0.951	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-67.2	146.8	-168.3	-80.7	169.2	161	162.5	-6	114.8
1037	V	36.3	Very low	35.8	Very low	136 Å²	136	175.8 Å²	175.8	82%	0.824	82%	0.824	S	S	*	*			trans	-110.1	137.8	163.8	174.2	0	0	0	0	108.4
1038	K	30.4	Very low	35.7	Very low	207 Å²	207	172.8 Å²	172.8	90%	0.9	82%	0.822	S	S	*	*			trans	-128.1	99.2	155.2	-83	-172	173.3	-175	0	106.3
1039	R	34	Very low	36.2	Very low	197 Å²	197	173.9 Å²	173.9	74%	0.743	83%	0.827	S	S	*	*				67.3	124	105.5	-103.6	-167.6	-172.1	-176.1	4.1	114.6
1040	P	36	Very low	35.6	Very low	132 Å²	132	172.7 Å²	172.7	86%	0.857	83%	0.829	S	S	*	*			trans	-106.2	138.6	143.4	17.4	1.1	0	0	0	110.3
1041	Q	35.3	Very low	35.4	Very low	143 Å²	143	172.7 Å²	172.7	67%	0.668	83%	0.826	S	S	*	*			trans	-124.2	132.1	165.4	-102.5	-177.1	-36.6	0	0	109
1042	L	33.1	Very low	36	Very low	163 Å²	163	167.9 Å²	167.9	85%	0.853	82%	0.817	S	S	*	*			trans	48.9	140.2	150	-96.7	90	0	0	0	123.1
1043	M	35.4	Very low	35.7	Very low	173 Å²	173	160.8 Å²	160.8	85%	0.852	81%	0.806	S	S	*	*			trans	-46.9	145.3	162.5	-62.9	172.3	67.2	0	0	113.6
1044	Q	29.9	Very low	35.7	Very low	162 Å²	162	159.3 Å²	159.3	76%	0.757	83%	0.825	S	S	*	*				177.1	131	106	-131.7	165.4	-15.1	0	0	112.9
1045	Q	30.4	Very low	35.6	Very low	160 Å²	160	157 Å²	157	75%	0.748	82%	0.821	S	S	*	*			trans	57.6	122.5	140.1	-79.1	-178.4	-25	0	0	124.7
1046	V	30.1	Very low	35.5	Very low	109 Å²	109	158.7 Å²	158.7	66%	0.661	82%	0.822	S	S	*	*				87.2	118.9	117.5	177.4	0	0	0	0	121.7
1047	H	29.3	Very low	35.8	Very low	178 Å²	178	153.6 Å²	153.6	82%	0.824	82%	0.815	S	S	*	*			trans	81.9	151	144.4	-78.3	-17.2	0	0	0	124.1
1048	P	42.2	Very low	35.8	Very low	110 Å²	110	154.6 Å²	154.6	71%	0.714	81%	0.814	S	S	*	*			trans	-115.9	-158.4	-147.2	45.4	-30	0	0	0	112.3
1049	P	58.3	Low	36.1	Very low	114 Å²	114	151.3 Å²	151.3	74%	0.74	81%	0.809	S	S	*	*				-84.1	168.4	-119.7	39.5	-24.5	0	0	0	114
1050	K	30.8	Very low	36.2	Very low	210 Å²	210	148.3 Å²	148.3	91%	0.913	81%	0.813	S	S	*	*			trans	-164	112.7	145.4	-105.8	166.6	-168.3	-173.7	0	109.3
1051	T	37.2	Very low	36.2	Very low	133 Å²	133	149.4 Å²	149.4	82%	0.816	81%	0.81	S	S	*	*			trans	-78.7	158.8	155.3	44.4	0	0	0	0	108.7
1052	P	51.4	Low	36.3	Very low	114 Å²	114	149.9 Å²	149.9	74%	0.74	82%	0.821	S	S	*	*				-146.1	161.9	96.8	35.9	-18.7	0	0	0	116.4
1053	S	31.1	Very low	36.6	Very low	105 Å²	105	148.8 Å²	148.8	73%	0.734	82%	0.818	S	S	*	*			trans	59.3	116.5	148.7	60.9	0	0	0	0	118.9
1054	V	33	Very low	36.7	Very low	218 Å²	218	146.6 Å²	146.6	100%	1.321	82%	0.815	S	S	*	*				-139.2	0	64.6	172.1	0	0	0	0	109.2

Retrieved 1,054 of 1,054 residues in 315.9 ms (Link to these results)

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