A0A3Q0KQL6_SCHMA Loading...

RNA helicase

AlphaFold DB , UniProt , Accession A0A3Q0KQL6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,199 aa.

						>A0A3Q0KQL6_SCHMA|A0A3Q0KQL6
MDLFEEKVRLHESTSEVGGLIITKSKENFKQPQKSLFGLDKLAAKKRQESQDLNLQFNKRDVTNKERFYRERRVETPSNRGGVSKEYFDSQARRRERDQKERLKTGLVSTSRKIGENYSESRKSSDYSRIESTREKESLSTRHRREAEWEDETPSHSSRENRSTSGVSSNRFETPEIYNVGGRSPGHSSWDDSALGSSRSTTPRTTGSLARNSNNDRYTYTPMPTPSFKHNSWMQSNKNNTGHSDSRKQHSGRHTHDQSHPQLSSENDGDSVKPDSTEVEEDSDDIKAENERLDRNWYQMDDGYDNDNHPFSDIPEEYAAKKERQLAERKKRHKQRLTAKAVQVHKDNQAWEHNRMLRSGVVQRVDFEQDEDFDEEGEARVHLLVRNILPPFLDGRIVFTRQPEPIIPVKDPESIMAKVAQKGSAIVKYFREQKERRRAQKKEWQLAGTRIGEVMGIKAPEEQDNWTEKSHRDAQTFADKVGDMKSEAVSEFATRKTIVEQRQYLPVFSVRTSLLRMIKEHQIVVIVGETGSGKTTQLTQYLHEDGFTTYGMVGCTQPRRVAAMSVARRVAEEMNVRLGEEVGYAIRFEDCTSPSTLIKYMTDGILLRESLRESDLDPYSAIIMDEAHERSLNTDVLFGLLREVVSRRNDLRLLITSATMDAERFAQFFGDCPIFRIPGRTFPVDKEFSKTTVMDYVDASVKQAIQVHLGSPTDGDILIFMPGQEDIEVTCELIAERLSNLEEAPPLSILPIYSQLPSDLQAKIFMKAENGVRKCVVATNIAETSLTVDGIRYVIDCGYCKLKVFNPKIGMDALQIFPISQANANQRAGRAGRTGPGVCYRLYTISQYQDEMLITSVPEIQRTNLANVVLLLKSLGVQDLMRFHFMDAPPQDNILNSMYQLWIFGALDNTGSLTNLGRQMVEFPLDPALSKLLIISCDMNCSEEILTIVSMLSVPSVFYRPKGREEESDNAREKFQVPESDHLTLLNVFTQWRKSGYSSAFCAKHFLHLKAMRKIREVRQQMKEIMEQHNMNLQSIGSDWDVVRECLCATFFHQAARIKGLGEYVNLRTGMPCHLHPTSALYGMGYTPDYVIYHELIMTTKEYMQCVTSVDGNWLAKVGPMFYSVKDPNLTRLERKRQAEEQLVEMENEMRLAEEQLSRRREELSASIGSSRLRPIVTPGMRTPGTPLVSKRPGSRLGL
					

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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	38.3	Very low	36.4	Very low	220 Å²	220	172.5 Å²	172.5	100%	1.084	83%	0.825	S	S	*	*				0	111.2	0	-70.1	-160.9	-156.2	0	0	109.2
2	D	38	Very low	35.8	Very low	160 Å²	160	171.3 Å²	171.3	86%	0.856	82%	0.818	S	S	*	*				-132.3	150.3	-104.3	-70.1	-52	0	0	0	110.2
3	L	38.4	Very low	35.6	Very low	152 Å²	152	166.2 Å²	166.2	80%	0.796	81%	0.812	S	S	*	*			trans	-97.6	129.9	-161.8	-73.1	159.1	0	0	0	112.4
4	F	40.6	Very low	35.8	Very low	185 Å²	185	163.2 Å²	163.2	81%	0.811	81%	0.808	S	S	*	*			trans	69.8	141.8	139.9	-80.8	-102.3	0	0	0	122.3
5	E	35.4	Very low	35.6	Very low	159 Å²	159	159.1 Å²	159.1	74%	0.743	80%	0.802	S	S	*	*			trans	-71.7	152.8	174.6	-53.3	165.2	99.6	0	0	112.1
6	E	43.5	Very low	35.8	Very low	191 Å²	191	160.5 Å²	160.5	89%	0.893	81%	0.805	S	S	*	*				-156	146.7	128.9	-123.8	176.6	-177	0	0	113
7	K	33.5	Very low	35.9	Very low	187 Å²	187	159.8 Å²	159.8	81%	0.813	81%	0.81	S	S	*	*			trans	-110.7	127	178.6	-65.9	164.2	178	158.3	0	109.4
8	V	38.4	Very low	35.9	Very low	147 Å²	147	155.3 Å²	155.3	89%	0.891	81%	0.81	S	S	*	*			trans	-139.9	150.1	154.6	-175.6	0	0	0	0	111
9	R	30.9	Very low	35.9	Very low	219 Å²	219	150.9 Å²	150.9	83%	0.826	81%	0.807	S	S	*	*			trans	-104.9	149.8	-171.1	-98.3	176.9	174.4	165.3	-4	112.5
10	L	31.8	Very low	35.9	Very low	136 Å²	136	151.4 Å²	151.4	71%	0.712	81%	0.808	S	S	*	*			trans	80.3	146.1	135.9	-74.4	170.1	0	0	0	123.6
11	H	31.5	Very low	36	Very low	141 Å²	141	151.3 Å²	151.3	65%	0.653	81%	0.806	S	S	*	*			trans	75.6	110.6	154.9	-75.7	-72.5	0	0	0	122.9
12	E	29.9	Very low	36.3	Very low	159 Å²	159	147.3 Å²	147.3	74%	0.743	79%	0.788	S	S	*	*				81.3	122.1	127.9	-84.2	165	-142.2	0	0	124.4
13	S	33	Very low	36.2	Very low	105 Å²	105	145.7 Å²	145.7	73%	0.734	78%	0.784	S	S	*	*			trans	101	142.6	135.7	78.2	0	0	0	0	120.3
14	T	37.6	Very low	36.5	Very low	124 Å²	124	147.4 Å²	147.4	76%	0.761	79%	0.785	S	S	*	*			trans	67.5	97.3	165.3	55.1	0	0	0	0	120.5
15	S	33.8	Very low	36.4	Very low	102 Å²	102	144.1 Å²	144.1	71%	0.713	79%	0.785	S	S	*	*				47.4	135.1	120.7	61.8	0	0	0	0	123.2
16	E	39.1	Very low	36.7	Very low	181 Å²	181	146.7 Å²	146.7	85%	0.846	79%	0.794	S	S	*	*			trans	98.8	108.6	157	-58.3	-166.5	164.1	0	0	120.4
17	V	37.4	Very low	36.7	Very low	149 Å²	149	145.7 Å²	145.7	90%	0.903	79%	0.789	S	S	*	*			trans	45.6	109.4	141.1	-164.8	0	0	0	0	119.8
18	G	34.9	Very low	37.2	Very low	78 Å²	78	144.6 Å²	144.6	80%	0.804	79%	0.792	S	S	*	*			trans	-168.2	91.1	164.6	0	0	0	0	0	114.1
19	G	37.2	Very low	37.3	Very low	72 Å²	72	147.5 Å²	147.5	74%	0.742	79%	0.793	S	S	*	*			trans	-80.3	131.5	177.5	0	0	0	0	0	113.2	I21	G19-I21 PolarHBondContact O-N 2.83Å
20	L	34.4	Very low	38.2	Very low	161 Å²	161	146.4 Å²	146.4	84%	0.843	79%	0.794	S	S	*	*			trans	-77.3	99.3	179.5	-128.2	114.3	0	0	0	111.3	I22	L20-I22 HydrophobicContact CD2-CD1 4.4Å; L20-I22 HydrophobicContact CD2-CG1 4.11Å; L20-I22 PolarHBondContact O-N 2.77Å
21	I	38.7	Very low	39.2	Very low	150 Å²	150	148.6 Å²	148.6	77%	0.769	80%	0.801	S	S	*	*			trans	-91.4	100.9	173	-59.2	172.8	0	0	0	109.3	G19 T23	G19-I21 PolarHBondContact O-N 2.83Å; I21-T23 HydrophobicContact CG2-CG2 4.15Å; I21-T23 PolarHBondContact O-N 3.25Å
22	I	43.6	Very low	40.4	Very low	136 Å²	136	147.9 Å²	147.9	70%	0.697	81%	0.809	S	S	*	*			trans	-79.1	99.5	171.4	-58.5	176.6	0	0	0	109	L20 K24	L20-I22 HydrophobicContact CD2-CD1 4.4Å; L20-I22 HydrophobicContact CD2-CG1 4.11Å; L20-I22 PolarHBondContact O-N 2.77Å; I22-K24 PolarHBondContact O-N 2.7Å
23	T	37.5	Very low	41.9	Very low	125 Å²	125	149.3 Å²	149.3	77%	0.767	82%	0.815	S	S	*	*			trans	-76.9	104.3	172.9	43.1	0	0	0	0	111	I21	I21-T23 HydrophobicContact CG2-CG2 4.15Å; I21-T23 PolarHBondContact O-N 3.25Å
24	K	43.9	Very low	43.3	Very low	189 Å²	189	153.4 Å²	153.4	82%	0.822	82%	0.82	S	S	*	*			trans	-76.1	139.9	166.1	-75.8	-172.5	175.5	-179.1	0	110.7	I22	I22-K24 PolarHBondContact O-N 2.7Å
25	S	39.5	Very low	45	Very low	116 Å²	116	149.2 Å²	149.2	81%	0.811	80%	0.796	S	S	*	*			trans	-65.8	147.1	-174.4	42.5	0	0	0	0	113.5	E27	S25-E27 PolarHBondContact O-N 3.3Å
26	K	40.5	Very low	46.7	Very low	212 Å²	212	152.5 Å²	152.5	92%	0.922	81%	0.805	S	S	*	*			trans	-96	55.7	-173.9	-71	-176.8	174.1	176.7	0	113.5
27	E	43	Very low	48.2	Very low	171 Å²	171	152.5 Å²	152.5	80%	0.799	80%	0.802	S	S	*	*			trans	-133.5	144	171	-64	-172.2	172.9	0	0	110.1	S25	S25-E27 PolarHBondContact O-N 3.3Å
28	N	45.1	Very low	49.9	Very low	164 Å²	164	146.6 Å²	146.6	88%	0.877	77%	0.771	S	S	*	*			trans	82.3	53.3	-176	-52.4	-39.6	0	0	0	119
29	F	40.2	Very low	51.8	Low	208 Å²	208	148.2 Å²	148.2	91%	0.912	76%	0.761	S	S	*	*			trans	-109.4	118.4	157.1	-118.6	-90.9	0	0	0	111.4
30	K	50	Low	53.6	Low	195 Å²	195	148.5 Å²	148.5	85%	0.848	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-63	135.5	173.8	-79.9	-179.8	173.9	176.5	0	110.1
31	Q	53	Low	55.6	Low	182 Å²	182	148.8 Å²	148.8	85%	0.85	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-62.5	134	171.9	-71.8	-177.1	-7.4	0	0	110.5
32	P	55.3	Low	57.3	Low	126 Å²	126	147 Å²	147	82%	0.818	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-69.7	131.9	176.9	27.9	-33.4	0	0	0	111
33	Q	61.8	Low	58.8	Low	189 Å²	189	142.6 Å²	142.6	88%	0.883	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-69.8	146.9	172.4	-71.8	-173.1	-24.5	0	0	110.9
34	K	63.6	Low	60.7	Low	192 Å²	192	138.9 Å²	138.9	84%	0.835	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-68	130.1	173.5	-69.7	171.5	178.1	168.5	0	109.8
35	S	72.7	Confident	62.3	Low	36 Å²	36	135.9 Å²	135.9	25%	0.252	68%	0.684	S	S	.	*	P	Polyproline II helix	trans	-64.3	137.3	173.6	65.4	0	0	0	0	111.4	F37 G38 L39 D40	S35-F37 PolarHBondContact O-N 3.14Å; S35-G38 PolarHBondContact O-N 3.11Å; S35-G38 PolarHBondContact OG-N 3.27Å; S35-L39 PolarHBondContact OG-N 3.5Å; S35-L39 VanDerWaalsContact OG-N 3.12Å; S35-D40 VanDerWaalsContact CB-OD1 3.24Å; S35-D40 WeakPolarHBondContact CB-OD1 3.19Å; S35-D40 VanDerWaalsContact CB-OD2 3.31Å; S35-D40 WeakPolarHBondContact CB-OD2 3.49Å; S35-D40 PolarHBondContact N-OD2 2.93Å; S35-D40 PolarHBondContact OG-N 3.18Å; S35-D40 PolarHBondContact OG-OD1 2.88Å; S35-D40 PolarHBondContact OG-OD2 2.87Å
36	L	69.4	Low	64.1	Low	171 Å²	171	137.2 Å²	137.2	90%	0.895	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.7	-32.4	176.5	-117.4	77.8	0	0	0	112.5
37	F	69.7	Low	65.8	Low	181 Å²	181	136 Å²	136	79%	0.794	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	2.6	-176.4	-63.5	-74.9	0	0	0	114.1	S35 L39	S35-F37 PolarHBondContact O-N 3.14Å; F37-L39 HydrophobicContact CB-CD1 4.4Å; F37-L39 HydrophobicContact CB-CG 4.28Å; F37-L39 PolarHBondContact O-N 3.01Å
38	G	73	Confident	67.3	Low	24 Å²	24	133.8 Å²	133.8	25%	0.247	65%	0.654	C	S	.	*			trans	65.6	17.9	178.5	0	0	0	0	0	114.7	S35 D40 K41 L42	S35-G38 PolarHBondContact O-N 3.11Å; S35-G38 PolarHBondContact OG-N 3.27Å; G38-D40 PolarHBondContact O-N 2.9Å; G38-K41 WeakPolarHBondContact O-CA 3.49Å; G38-K41 WeakPolarHBondContact O-CB 3.44Å; G38-K41 PolarHBondContact O-N 3.07Å; G38-L42 PolarHBondContact O-N 3.48Å; G38-L42 VanDerWaalsContact O-N 3.08Å
39	L	74.8	Confident	68.6	Low	112 Å²	112	130.2 Å²	130.2	59%	0.586	63%	0.633	S	S	*	*	H	α-helix	trans	-60.3	-35	178.4	-74.1	168.2	0	0	0	111.5	S35 F37 K41 L42 A43	S35-L39 PolarHBondContact OG-N 3.5Å; S35-L39 VanDerWaalsContact OG-N 3.12Å; F37-L39 HydrophobicContact CB-CD1 4.4Å; F37-L39 HydrophobicContact CB-CG 4.28Å; F37-L39 PolarHBondContact O-N 3.01Å; L39-K41 VanDerWaalsContact C-N 3.31Å; L39-K41 PolarHBondContact O-N 3.44Å; L39-L42 PolarHBondContact O-N 2.7Å; L39-A43 WeakPolarHBondContact O-CB 3.24Å; L39-A43 PolarHBondContact O-N 3.04Å
40	D	76.2	Confident	70	Confident	79 Å²	79	123.6 Å²	123.6	42%	0.422	61%	0.612	S	S	.	*	H	α-helix	trans	-65.6	-33.4	173.9	-10.1	-66.3	0	0	0	112	S35 G38 A44	S35-D40 VanDerWaalsContact CB-OD1 3.24Å; S35-D40 WeakPolarHBondContact CB-OD1 3.19Å; S35-D40 VanDerWaalsContact CB-OD2 3.31Å; S35-D40 WeakPolarHBondContact CB-OD2 3.49Å; S35-D40 PolarHBondContact N-OD2 2.93Å; S35-D40 PolarHBondContact OG-N 3.18Å; S35-D40 PolarHBondContact OG-OD1 2.88Å; S35-D40 PolarHBondContact OG-OD2 2.87Å; G38-D40 PolarHBondContact O-N 2.9Å; D40-A44 WeakPolarHBondContact O-CB 3Å; D40-A44 PolarHBondContact O-N 3.01Å
41	K	76.2	Confident	70.8	Confident	167 Å²	167	120.3 Å²	120.3	73%	0.726	60%	0.6	S	S	*	*	H	α-helix	trans	-68.7	-38.5	173	-64.8	-178.1	177.2	178	0	111	G38 L39 K45	G38-K41 WeakPolarHBondContact O-CA 3.49Å; G38-K41 WeakPolarHBondContact O-CB 3.44Å; G38-K41 PolarHBondContact O-N 3.07Å; L39-K41 VanDerWaalsContact C-N 3.31Å; L39-K41 PolarHBondContact O-N 3.44Å; K41-K45 WeakPolarHBondContact O-CB 3.15Å; K41-K45 PolarHBondContact O-N 3.34Å
42	L	74.5	Confident	71.5	Confident	111 Å²	111	116.1 Å²	116.1	58%	0.581	58%	0.583	S	S	*	*	H	α-helix	trans	-72.2	-38.3	179	-160.9	146.3	0	0	0	111.6	G38 L39 K45 K46	G38-L42 PolarHBondContact O-N 3.48Å; G38-L42 VanDerWaalsContact O-N 3.08Å; L39-L42 PolarHBondContact O-N 2.7Å; L42-K45 PolarHBondContact O-N 3.2Å; L42-K46 PolarHBondContact O-N 2.91Å
43	A	74.3	Confident	71.7	Confident	44 Å²	44	115.3 Å²	115.3	36%	0.364	57%	0.571	S	S	.	*	H	α-helix	trans	-67.3	-40.4	171.4	0	0	0	0	0	112.3	L39 K46 R47	L39-A43 WeakPolarHBondContact O-CB 3.24Å; L39-A43 PolarHBondContact O-N 3.04Å; A43-K46 PolarHBondContact O-N 3.39Å; A43-R47 WeakPolarHBondContact O-CB 3.43Å; A43-R47 WeakPolarHBondContact O-CG 3.32Å; A43-R47 PolarHBondContact O-N 3.17Å
44	A	77.2	Confident	71.4	Confident	48 Å²	48	111 Å²	111	40%	0.397	56%	0.555	S	S	.	*	H	α-helix	trans	-63.2	-41.9	172.4	0	0	0	0	0	111.6	D40 R47 Q48	D40-A44 WeakPolarHBondContact O-CB 3Å; D40-A44 PolarHBondContact O-N 3.01Å; A44-R47 PolarHBondContact O-N 3.04Å; A44-Q48 PolarHBondContact O-N 3.36Å
45	K	77.9	Confident	70.8	Confident	126 Å²	126	106.1 Å²	106.1	55%	0.548	54%	0.537	S	S	.	.	H	α-helix	trans	-62.9	-46.3	175.2	-169.5	-177.1	178.7	-161	0	111.9	K41 L42 R47 Q48 E49	K41-K45 WeakPolarHBondContact O-CB 3.15Å; K41-K45 PolarHBondContact O-N 3.34Å; L42-K45 PolarHBondContact O-N 3.2Å; K45-R47 VanDerWaalsContact C-N 3.31Å; K45-R47 PolarHBondContact O-N 3.29Å; K45-Q48 PolarHBondContact O-N 3.07Å; K45-E49 WeakPolarHBondContact CE-OE1 3.41Å; K45-E49 IonicContact NZ-OE1 3.65Å; K45-E49 WeakPolarHBondContact O-CG 3.36Å; K45-E49 PolarHBondContact O-N 2.98Å
46	K	77.3	Confident	69.7	Low	144 Å²	144	110.5 Å²	110.5	63%	0.626	55%	0.553	S	S	*	*	H	α-helix	trans	-62.7	-34.3	173.9	-96	-164.8	171.2	-171.4	0	113.2	L42 A43 S50	L42-K46 PolarHBondContact O-N 2.91Å; A43-K46 PolarHBondContact O-N 3.39Å; K46-S50 VanDerWaalsContact O-CB 3.3Å; K46-S50 WeakPolarHBondContact O-CB 3.4Å; K46-S50 PolarHBondContact O-N 3.34Å
47	R	77.5	Confident	68.5	Low	186 Å²	186	109.1 Å²	109.1	70%	0.702	54%	0.54	S	S	*	.	H	α-helix	trans	-68.6	-38.4	172.8	-75.1	176.5	-174.8	168.8	3.3	112	A43 A44 K45 Q51	A43-R47 WeakPolarHBondContact O-CB 3.43Å; A43-R47 WeakPolarHBondContact O-CG 3.32Å; A43-R47 PolarHBondContact O-N 3.17Å; A44-R47 PolarHBondContact O-N 3.04Å; K45-R47 VanDerWaalsContact C-N 3.31Å; K45-R47 PolarHBondContact O-N 3.29Å; R47-Q51 WeakPolarHBondContact O-CB 3.22Å; R47-Q51 WeakPolarHBondContact O-CG 3.27Å; R47-Q51 PolarHBondContact O-N 3.06Å
48	Q	73.1	Confident	67.2	Low	124 Å²	124	105 Å²	105	58%	0.579	53%	0.527	S	S	*	.	H	α-helix	trans	-65.5	-46.7	171.9	-80.5	-176.3	-45.3	0	0	111.7	A44 K45 S50 Q51 D52	A44-Q48 PolarHBondContact O-N 3.36Å; K45-Q48 PolarHBondContact O-N 3.07Å; Q48-S50 VanDerWaalsContact C-N 3.3Å; Q48-S50 PolarHBondContact O-N 3.4Å; Q48-Q51 CarbonylContact O-C 3.56Å; Q48-Q51 PolarHBondContact O-N 3.04Å; Q48-Q51 VanDerWaalsContact O-N 3.14Å; Q48-D52 WeakPolarHBondContact O-CB 3.31Å; Q48-D52 PolarHBondContact O-N 2.69Å
49	E	73.4	Confident	65.6	Low	90 Å²	90	111.2 Å²	111.2	42%	0.421	55%	0.547	S	S	.	.	H	α-helix	trans	-58.5	-40.8	175.2	-74	168.8	176.3	0	0	111.7	K45 D52 L53	K45-E49 WeakPolarHBondContact CE-OE1 3.41Å; K45-E49 IonicContact NZ-OE1 3.65Å; K45-E49 WeakPolarHBondContact O-CG 3.36Å; K45-E49 PolarHBondContact O-N 2.98Å; E49-D52 PolarHBondContact O-N 3.45Å; E49-L53 WeakPolarHBondContact O-CB 3.38Å; E49-L53 WeakPolarHBondContact O-CD1 3.28Å; E49-L53 VanDerWaalsContact O-CG 3.26Å; E49-L53 WeakPolarHBondContact O-CG 3.02Å; E49-L53 PolarHBondContact O-N 2.97Å
50	S	70.1	Confident	63.8	Low	68 Å²	68	114.8 Å²	114.8	48%	0.476	55%	0.553	S	S	.	*	H	α-helix	trans	-69.6	-37.1	175.2	-171.1	0	0	0	0	113	K46 Q48 N54	K46-S50 VanDerWaalsContact O-CB 3.3Å; K46-S50 WeakPolarHBondContact O-CB 3.4Å; K46-S50 PolarHBondContact O-N 3.34Å; Q48-S50 VanDerWaalsContact C-N 3.3Å; Q48-S50 PolarHBondContact O-N 3.4Å; S50-N54 WeakPolarHBondContact O-CB 3.47Å; S50-N54 PolarHBondContact O-N 3.29Å
51	Q	66.1	Low	62.1	Low	126 Å²	126	116.5 Å²	116.5	59%	0.589	56%	0.562	S	S	*	*	H	α-helix	trans	-69	-39.2	172.7	-80.3	-176.7	-21.1	0	0	112.4	R47 Q48 N54 L55	R47-Q51 WeakPolarHBondContact O-CB 3.22Å; R47-Q51 WeakPolarHBondContact O-CG 3.27Å; R47-Q51 PolarHBondContact O-N 3.06Å; Q48-Q51 CarbonylContact O-C 3.56Å; Q48-Q51 PolarHBondContact O-N 3.04Å; Q48-Q51 VanDerWaalsContact O-N 3.14Å; Q51-N54 CarbonylContact O-C 3.55Å; Q51-N54 PolarHBondContact O-N 3.02Å; Q51-L55 VanDerWaalsContact O-CB 3.26Å; Q51-L55 WeakPolarHBondContact O-CB 3.47Å; Q51-L55 WeakPolarHBondContact O-CD1 3.37Å; Q51-L55 WeakPolarHBondContact O-CG 3.35Å; Q51-L55 PolarHBondContact O-N 3.46Å
52	D	66.9	Low	60.2	Low	94 Å²	94	113.4 Å²	113.4	50%	0.503	56%	0.557	S	S	.	*	H	α-helix	trans	-69.1	-35.9	177	-80.1	-27.9	0	0	0	111.6	Q48 E49 L55 Q56	Q48-D52 WeakPolarHBondContact O-CB 3.31Å; Q48-D52 PolarHBondContact O-N 2.69Å; E49-D52 PolarHBondContact O-N 3.45Å; D52-L55 PolarHBondContact O-N 3.34Å; D52-Q56 WeakPolarHBondContact O-CB 3.17Å; D52-Q56 VanDerWaalsContact O-CG 3.32Å; D52-Q56 WeakPolarHBondContact O-CG 3.47Å; D52-Q56 PolarHBondContact O-N 3.14Å
53	L	61	Low	58.3	Low	109 Å²	109	113.6 Å²	113.6	57%	0.571	56%	0.563	S	S	*	*	H	α-helix	trans	-63.7	-45.9	169.9	-75.9	166.3	0	0	0	111.6	E49 L55 Q56 F57	E49-L53 WeakPolarHBondContact O-CB 3.38Å; E49-L53 WeakPolarHBondContact O-CD1 3.28Å; E49-L53 VanDerWaalsContact O-CG 3.26Å; E49-L53 WeakPolarHBondContact O-CG 3.02Å; E49-L53 PolarHBondContact O-N 2.97Å; L53-L55 VanDerWaalsContact C-N 3.33Å; L53-L55 PolarHBondContact O-N 3.37Å; L53-Q56 PolarHBondContact O-N 2.61Å; L53-F57 PolarHBondContact O-N 2.89Å
54	N	54.7	Low	56.4	Low	100 Å²	100	116 Å²	116	54%	0.535	57%	0.569	S	S	.	*	H	α-helix	trans	-66	-32.4	174	-91.9	-13.3	0	0	0	113	S50 Q51 N58	S50-N54 WeakPolarHBondContact O-CB 3.47Å; S50-N54 PolarHBondContact O-N 3.29Å; Q51-N54 CarbonylContact O-C 3.55Å; Q51-N54 PolarHBondContact O-N 3.02Å; N54-N58 VanDerWaalsContact O-CB 3.28Å; N54-N58 WeakPolarHBondContact O-CB 3.39Å; N54-N58 VanDerWaalsContact O-CG 3.3Å; N54-N58 PolarHBondContact O-N 3.38Å; N54-N58 PolarHBondContact O-ND2 3.5Å
55	L	51.1	Low	54.2	Low	88 Å²	88	122.6 Å²	122.6	46%	0.461	59%	0.589	S	S	.	*	H	α-helix	trans	-74.7	-29	174.7	-76.5	162.7	0	0	0	112	Q51 D52 L53 K59	Q51-L55 VanDerWaalsContact O-CB 3.26Å; Q51-L55 WeakPolarHBondContact O-CB 3.47Å; Q51-L55 WeakPolarHBondContact O-CD1 3.37Å; Q51-L55 WeakPolarHBondContact O-CG 3.35Å; Q51-L55 PolarHBondContact O-N 3.46Å; D52-L55 PolarHBondContact O-N 3.34Å; L53-L55 VanDerWaalsContact C-N 3.33Å; L53-L55 PolarHBondContact O-N 3.37Å; L55-K59 WeakPolarHBondContact O-CB 3.15Å; L55-K59 VanDerWaalsContact O-CG 3.25Å; L55-K59 WeakPolarHBondContact O-CG 3.46Å; L55-K59 PolarHBondContact O-N 2.91Å
56	Q	48.9	Very low	52.1	Low	128 Å²	128	125 Å²	125	60%	0.598	60%	0.602	S	S	*	*	H	α-helix	trans	-74.4	-34.2	171.1	-76.9	-175.4	24.2	0	0	112.6	D52 L53	D52-Q56 WeakPolarHBondContact O-CB 3.17Å; D52-Q56 VanDerWaalsContact O-CG 3.32Å; D52-Q56 WeakPolarHBondContact O-CG 3.47Å; D52-Q56 PolarHBondContact O-N 3.14Å; L53-Q56 PolarHBondContact O-N 2.61Å
57	F	44	Very low	50	Low	142 Å²	142	127 Å²	127	62%	0.623	61%	0.606	S	S	*	*	H	α-helix	trans	-65.4	-56.1	167.7	-102.2	-93.1	0	0	0	110.8	L53 K59 R60	L53-F57 PolarHBondContact O-N 2.89Å; F57-K59 VanDerWaalsContact C-N 3.28Å; F57-K59 PolarHBondContact O-N 3.23Å; F57-R60 WeakPolarHBondContact O-CB 3.49Å; F57-R60 PolarHBondContact O-N 2.77Å
58	N	43.6	Very low	47.9	Very low	95 Å²	95	127.8 Å²	127.8	51%	0.508	62%	0.615	S	S	.	*	H	α-helix	trans	-62.9	-27.8	-178.8	-73.5	-34.1	0	0	0	113.9	N54 R60 D61 V62	N54-N58 VanDerWaalsContact O-CB 3.28Å; N54-N58 WeakPolarHBondContact O-CB 3.39Å; N54-N58 VanDerWaalsContact O-CG 3.3Å; N54-N58 PolarHBondContact O-N 3.38Å; N54-N58 PolarHBondContact O-ND2 3.5Å; N58-R60 VanDerWaalsContact C-N 3.3Å; N58-R60 PolarHBondContact O-N 3.5Å; N58-D61 PolarHBondContact O-N 3.33Å; N58-V62 VanDerWaalsContact O-CG2 3.25Å; N58-V62 WeakPolarHBondContact O-CG2 3.29Å; N58-V62 PolarHBondContact O-N 3.48Å
59	K	39.4	Very low	46	Very low	154 Å²	154	133.1 Å²	133.1	67%	0.67	63%	0.631	S	S	*	*	H	α-helix	trans	-73.3	-15.3	172.5	-82.6	179	175.4	176.3	0	114.3	L55 F57	L55-K59 WeakPolarHBondContact O-CB 3.15Å; L55-K59 VanDerWaalsContact O-CG 3.25Å; L55-K59 WeakPolarHBondContact O-CG 3.46Å; L55-K59 PolarHBondContact O-N 2.91Å; F57-K59 VanDerWaalsContact C-N 3.28Å; F57-K59 PolarHBondContact O-N 3.23Å
60	R	37	Very low	44.1	Very low	187 Å²	187	138.3 Å²	138.3	71%	0.706	65%	0.647	S	S	*	*	H	α-helix	trans	-82	-26.6	172.2	-74.5	177.8	172.1	171.3	0	112.7	F57 N58	F57-R60 WeakPolarHBondContact O-CB 3.49Å; F57-R60 PolarHBondContact O-N 2.77Å; N58-R60 VanDerWaalsContact C-N 3.3Å; N58-R60 PolarHBondContact O-N 3.5Å
61	D	39.4	Very low	42.3	Very low	115 Å²	115	143.8 Å²	143.8	62%	0.615	67%	0.665	S	S	*	*	H	α-helix	trans	-92.1	-15.9	-178	-65.9	-36.4	0	0	0	114.5	N58	N58-D61 PolarHBondContact O-N 3.33Å
62	V	37	Very low	40.9	Very low	102 Å²	102	149.6 Å²	149.6	62%	0.618	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-83.7	-14.2	-176.3	170.6	0	0	0	0	113.9	N58	N58-V62 VanDerWaalsContact O-CG2 3.25Å; N58-V62 WeakPolarHBondContact O-CG2 3.29Å; N58-V62 PolarHBondContact O-N 3.48Å
63	T	33.7	Very low	39.2	Very low	116 Å²	116	156.8 Å²	156.8	71%	0.712	70%	0.702	S	S	*	*	G	3₁₀ helix	trans	-92.6	8.3	-176.4	52.1	0	0	0	0	115.7
64	N	34.5	Very low	37.9	Very low	94 Å²	94	156.6 Å²	156.6	50%	0.503	71%	0.705	S	S	.	*	G	3₁₀ helix	trans	-111.8	10.9	178.9	-96	-54.2	0	0	0	115	E66 R67	N64-E66 PolarHBondContact O-N 2.96Å; N64-R67 PolarHBondContact OD1-NE 3.42Å; N64-R67 PolarHBondContact OD1-NH2 2.94Å
65	K	32	Very low	36.8	Very low	187 Å²	187	160.9 Å²	160.9	81%	0.813	72%	0.722	S	S	*	*			trans	-79	55.4	177.1	-74.4	-172.1	174.6	-179	0	113.6
66	E	33.1	Very low	36	Very low	176 Å²	176	161.9 Å²	161.9	82%	0.822	73%	0.731	S	S	*	*			trans	-163.3	85	165.2	-117.8	173.5	-131.7	0	0	109.8	N64	N64-E66 PolarHBondContact O-N 2.96Å
67	R	34.1	Very low	35.1	Very low	186 Å²	186	161.7 Å²	161.7	70%	0.702	74%	0.741	S	S	*	*			trans	-137.9	106.2	171.1	-68.3	-169	-174.8	-171.2	2.8	110.5	N64 Y69	N64-R67 PolarHBondContact OD1-NE 3.42Å; N64-R67 PolarHBondContact OD1-NH2 2.94Å; R67-Y69 PolarHBondContact O-N 3.26Å
68	F	32.4	Very low	34.5	Very low	203 Å²	203	160.1 Å²	160.1	89%	0.89	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-55.3	127.1	169.6	-73.8	-98.9	0	0	0	110.2
69	Y	33.7	Very low	33.9	Very low	235 Å²	235	161.3 Å²	161.3	92%	0.922	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-69.2	133.7	170.1	-77.5	-85	0	0	0	109.7	R67	R67-Y69 PolarHBondContact O-N 3.26Å
70	R	32.6	Very low	33.5	Very low	200 Å²	200	166.1 Å²	166.1	76%	0.755	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-96	140.2	174.5	-147.5	179.4	-166.8	-167.5	4.2	109
71	E	32.7	Very low	33.2	Very low	182 Å²	182	160.9 Å²	160.9	85%	0.85	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-63.6	150.8	-174	-64.3	-178.1	134.4	0	0	113.7	R73	E71-R73 PolarHBondContact O-N 2.9Å
72	R	36.7	Very low	33	Very low	249 Å²	249	159.2 Å²	159.2	94%	0.94	78%	0.782	S	S	*	*	S	Bend	trans	-69.4	95.9	173.6	-77.6	-177.3	170.1	-163.8	-1.1	110.5
73	R	32.2	Very low	33.2	Very low	245 Å²	245	158.8 Å²	158.8	93%	0.925	78%	0.78	S	S	*	*			trans	156.2	66.8	148.9	-86.6	161.8	177.9	-174.8	0.9	111.8	E71	E71-R73 PolarHBondContact O-N 2.9Å
74	V	32.7	Very low	33.8	Very low	104 Å²	104	156.3 Å²	156.3	63%	0.63	77%	0.767	S	S	*	*			trans	-141.4	118.4	164	-175.7	0	0	0	0	108.8
75	E	31.1	Very low	34.6	Very low	191 Å²	191	159.9 Å²	159.9	89%	0.893	78%	0.778	S	S	*	*			trans	-65.9	133.3	169.5	-63.3	179.5	154.4	0	0	109.2
76	T	35.3	Very low	35.7	Very low	108 Å²	108	158.3 Å²	158.3	66%	0.663	77%	0.774	S	S	*	*			trans	-120.1	129.2	176.7	35.1	0	0	0	0	111.6
77	P	30.8	Very low	36.8	Very low	124 Å²	124	155.8 Å²	155.8	81%	0.805	76%	0.758	S	S	*	*			trans	-63.9	159	179.5	-23.3	34	0	0	0	114.6	N79	P77-N79 PolarHBondContact O-N 3.39Å
78	S	29.5	Very low	37.8	Very low	109 Å²	109	152.9 Å²	152.9	76%	0.762	75%	0.75	S	S	*	*	S	Bend	trans	-55	114.6	177.7	51.8	0	0	0	0	114.6
79	N	31.5	Very low	39.4	Very low	121 Å²	121	146.8 Å²	146.8	65%	0.647	73%	0.727	S	S	*	*			trans	168.9	113.9	147.7	-91.8	-33.9	0	0	0	109.8	P77 R134	P77-N79 PolarHBondContact O-N 3.39Å; N79-R134 PolarHBondContact OD1-NH2 2.84Å
80	R	31.1	Very low	40.9	Very low	255 Å²	255	138.8 Å²	138.8	96%	0.962	71%	0.705	S	S	*	*			trans	-148.7	128.9	156.2	-73.4	-160.3	173.7	-166.5	-4	111.2
81	G	31.8	Very low	42.3	Very low	77 Å²	77	132.5 Å²	132.5	79%	0.794	68%	0.684	S	S	*	*			trans	162.1	7	179.4	0	0	0	0	0	116.3	V83	G81-V83 PolarHBondContact O-N 2.76Å
82	G	33.7	Very low	44	Very low	80 Å²	80	126.4 Å²	126.4	83%	0.825	67%	0.666	S	S	*	*			trans	-82.5	112.9	-177.4	0	0	0	0	0	113.3
83	V	41.1	Very low	45.6	Very low	92 Å²	92	122.4 Å²	122.4	56%	0.558	65%	0.65	S	S	*	*			trans	-71.9	142.7	163.7	-171.1	0	0	0	0	108.5	G81 Y87	G81-V83 PolarHBondContact O-N 2.76Å; V83-Y87 HydrophobicContact CG1-CD1 3.58Å; V83-Y87 HydrophobicContact CG1-CE1 4.36Å; V83-Y87 HydrophobicContact CG1-CG 3.75Å
84	S	46.8	Very low	47.3	Very low	65 Å²	65	119.4 Å²	119.4	46%	0.455	64%	0.639	S	S	.	*			trans	-63.9	146.7	-173.1	68.1	0	0	0	0	112.9	E86 Y87 F88	S84-E86 PolarHBondContact O-N 3.45Å; S84-Y87 WeakPolarHBondContact O-CB 3.33Å; S84-Y87 PolarHBondContact O-N 3.31Å; S84-F88 PolarHBondContact O-N 3.3Å
85	K	51.9	Low	49	Very low	169 Å²	169	121.8 Å²	121.8	74%	0.735	64%	0.637	S	S	*	*	H	α-helix	trans	-55.3	-35.1	176.6	-169.3	176.3	179.6	-178.8	0	112.2	Y87 F88 D89	K85-Y87 VanDerWaalsContact C-N 3.29Å; K85-Y87 PolarHBondContact O-N 3.5Å; K85-F88 PolarHBondContact O-N 3.46Å; K85-D89 PolarHBondContact O-N 3.3Å
86	E	54.7	Low	50.7	Low	154 Å²	154	117.2 Å²	117.2	72%	0.72	62%	0.615	S	S	*	*	H	α-helix	trans	-62.4	-31.1	175	-62.9	178.8	130.9	0	0	113.6	S84 S90	S84-E86 PolarHBondContact O-N 3.45Å; E86-S90 WeakPolarHBondContact O-CB 3.46Å; E86-S90 PolarHBondContact O-N 2.8Å
87	Y	56.5	Low	52.3	Low	122 Å²	122	120.7 Å²	120.7	48%	0.478	62%	0.616	S	S	.	*	H	α-helix	trans	-71.3	-37.9	175.3	-176.7	-91.5	0	0	0	111.6	V83 S84 K85 S90 Q91	V83-Y87 HydrophobicContact CG1-CD1 3.58Å; V83-Y87 HydrophobicContact CG1-CE1 4.36Å; V83-Y87 HydrophobicContact CG1-CG 3.75Å; S84-Y87 WeakPolarHBondContact O-CB 3.33Å; S84-Y87 PolarHBondContact O-N 3.31Å; K85-Y87 VanDerWaalsContact C-N 3.29Å; K85-Y87 PolarHBondContact O-N 3.5Å; Y87-S90 WeakPolarHBondContact O-CB 3.12Å; Y87-S90 PolarHBondContact O-N 2.79Å; Y87-Q91 HydrophobicContact CE1-CG 4.03Å; Y87-Q91 PolarHBondContact O-N 3.29Å; Y87-Q91 PolarHBondContact OH-NE2 3.19Å; Y87-Q91 VanDerWaalsContact OH-NE2 3.12Å
88	F	55.4	Low	53.9	Low	126 Å²	126	118.6 Å²	118.6	55%	0.553	60%	0.598	S	S	*	*	H	α-helix	trans	-65	-46.3	171.4	-87.6	-83.5	0	0	0	111.5	S84 K85 S90 Q91 A92	S84-F88 PolarHBondContact O-N 3.3Å; K85-F88 PolarHBondContact O-N 3.46Å; F88-S90 PolarHBondContact O-N 3.05Å; F88-Q91 PolarHBondContact O-N 2.68Å; F88-A92 WeakPolarHBondContact O-CB 3.48Å; F88-A92 PolarHBondContact O-N 2.82Å
89	D	65.9	Low	55.4	Low	75 Å²	75	119.6 Å²	119.6	40%	0.401	59%	0.591	S	S	.	*	H	α-helix	trans	-65.2	-24.3	175.4	-71.5	-22.9	0	0	0	113	K85 R93	K85-D89 PolarHBondContact O-N 3.3Å; D89-R93 WeakPolarHBondContact O-CB 3.18Å; D89-R93 WeakPolarHBondContact O-CG 3.34Å; D89-R93 PolarHBondContact O-N 3.27Å; D89-R93 PolarHBondContact O-NE 2.8Å
90	S	65.3	Low	57	Low	66 Å²	66	119.7 Å²	119.7	46%	0.462	59%	0.586	S	S	.	*	H	α-helix	trans	-75.5	-47.7	172.6	178.2	0	0	0	0	111.7	E86 Y87 F88 A92 R93 R94	E86-S90 WeakPolarHBondContact O-CB 3.46Å; E86-S90 PolarHBondContact O-N 2.8Å; Y87-S90 WeakPolarHBondContact O-CB 3.12Å; Y87-S90 PolarHBondContact O-N 2.79Å; F88-S90 PolarHBondContact O-N 3.05Å; S90-A92 VanDerWaalsContact C-N 3.34Å; S90-A92 PolarHBondContact O-N 3.21Å; S90-R93 PolarHBondContact O-N 3.12Å; S90-R94 WeakPolarHBondContact O-CB 3.32Å; S90-R94 PolarHBondContact O-N 3.34Å
91	Q	62.4	Low	58.3	Low	68 Å²	68	113.3 Å²	113.3	32%	0.318	57%	0.567	S	S	.	*	H	α-helix	trans	-63.3	-38.4	173.3	-84.2	-147.4	25.6	0	0	112.4	Y87 F88 R94 R95	Y87-Q91 HydrophobicContact CE1-CG 4.03Å; Y87-Q91 PolarHBondContact O-N 3.29Å; Y87-Q91 PolarHBondContact OH-NE2 3.19Å; Y87-Q91 VanDerWaalsContact OH-NE2 3.12Å; F88-Q91 PolarHBondContact O-N 2.68Å; Q91-R94 PolarHBondContact O-N 3.49Å; Q91-R95 WeakPolarHBondContact O-CG 3.43Å; Q91-R95 PolarHBondContact O-N 3.06Å
92	A	67.4	Low	59.2	Low	55 Å²	55	119.4 Å²	119.4	46%	0.455	57%	0.566	S	S	.	*	H	α-helix	trans	-61.2	-51.8	176.2	0	0	0	0	0	111	F88 S90 R94 R95 E96	F88-A92 WeakPolarHBondContact O-CB 3.48Å; F88-A92 PolarHBondContact O-N 2.82Å; S90-A92 VanDerWaalsContact C-N 3.34Å; S90-A92 PolarHBondContact O-N 3.21Å; A92-R94 VanDerWaalsContact C-N 3.27Å; A92-R94 PolarHBondContact O-N 3.09Å; A92-R95 PolarHBondContact O-N 3.21Å; A92-E96 WeakPolarHBondContact O-CB 3.49Å; A92-E96 PolarHBondContact O-N 2.77Å
93	R	70.5	Confident	60.1	Low	165 Å²	165	122.5 Å²	122.5	62%	0.623	56%	0.563	S	S	*	*	H	α-helix	trans	-61.3	-32.3	175.7	-79.6	-179.8	-84.3	-162.7	-6.7	113.2	D89 S90 R97	D89-R93 WeakPolarHBondContact O-CB 3.18Å; D89-R93 WeakPolarHBondContact O-CG 3.34Å; D89-R93 PolarHBondContact O-N 3.27Å; D89-R93 PolarHBondContact O-NE 2.8Å; S90-R93 PolarHBondContact O-N 3.12Å; R93-R97 WeakPolarHBondContact O-CB 3.5Å; R93-R97 PolarHBondContact O-N 2.95Å; R93-R97 VanDerWaalsContact O-N 3.14Å
94	R	68.4	Low	60.6	Low	182 Å²	182	126.8 Å²	126.8	69%	0.687	57%	0.574	S	S	*	*	H	α-helix	trans	-70.4	-47.4	175.4	-158.8	174.2	-171.3	-179.9	2.4	111.7	S90 Q91 A92 E96 R97 D98	S90-R94 WeakPolarHBondContact O-CB 3.32Å; S90-R94 PolarHBondContact O-N 3.34Å; Q91-R94 PolarHBondContact O-N 3.49Å; A92-R94 VanDerWaalsContact C-N 3.27Å; A92-R94 PolarHBondContact O-N 3.09Å; R94-E96 VanDerWaalsContact C-N 3.33Å; R94-E96 PolarHBondContact O-N 3.05Å; R94-R97 WeakPolarHBondContact O-CB 3.14Å; R94-R97 PolarHBondContact O-N 3.48Å; R94-R97 VanDerWaalsContact O-N 3.14Å; R94-D98 VanDerWaalsContact O-CG 3.24Å; R94-D98 PolarHBondContact O-N 3.42Å
95	R	67.7	Low	60.4	Low	153 Å²	153	129 Å²	129	58%	0.577	58%	0.584	S	S	*	*	H	α-helix	trans	-60.1	-41.3	174.5	-72.6	179.6	-169.8	173	8.2	112.1	Q91 A92 R97 D98 Q99	Q91-R95 WeakPolarHBondContact O-CG 3.43Å; Q91-R95 PolarHBondContact O-N 3.06Å; A92-R95 PolarHBondContact O-N 3.21Å; R95-R97 VanDerWaalsContact C-N 3.28Å; R95-R97 PolarHBondContact O-N 3.33Å; R95-D98 PolarHBondContact O-N 3.24Å; R95-Q99 WeakPolarHBondContact O-CB 3.47Å; R95-Q99 PolarHBondContact O-N 2.83Å
96	E	68.2	Low	59.5	Low	95 Å²	95	124 Å²	124	44%	0.444	58%	0.581	S	S	.	*	H	α-helix	trans	-64.5	-33.8	177.2	-156.5	-158.8	145.7	0	0	112.1	A92 R94 K100	A92-E96 WeakPolarHBondContact O-CB 3.49Å; A92-E96 PolarHBondContact O-N 2.77Å; R94-E96 VanDerWaalsContact C-N 3.33Å; R94-E96 PolarHBondContact O-N 3.05Å; E96-K100 WeakPolarHBondContact O-CB 3.1Å; E96-K100 WeakPolarHBondContact O-CG 2.91Å; E96-K100 PolarHBondContact O-N 3.18Å; E96-K100 IonicContact OE1-NZ 2.62Å; E96-K100 PolarHBondContact OE1-NZ 2.84Å
97	R	68.5	Low	58.6	Low	181 Å²	181	125.4 Å²	125.4	68%	0.683	59%	0.592	S	S	*	*	H	α-helix	trans	-69.5	-48	173.7	-157.1	-176.9	-118	-163.6	-0.4	111.4	R93 R94 R95 Q99 K100 E101	R93-R97 WeakPolarHBondContact O-CB 3.5Å; R93-R97 PolarHBondContact O-N 2.95Å; R93-R97 VanDerWaalsContact O-N 3.14Å; R94-R97 WeakPolarHBondContact O-CB 3.14Å; R94-R97 PolarHBondContact O-N 3.48Å; R94-R97 VanDerWaalsContact O-N 3.14Å; R95-R97 VanDerWaalsContact C-N 3.28Å; R95-R97 PolarHBondContact O-N 3.33Å; R97-Q99 VanDerWaalsContact C-N 3.26Å; R97-Q99 PolarHBondContact O-N 2.61Å; R97-K100 CarbonylContact O-C 3.6Å; R97-K100 PolarHBondContact O-N 2.84Å; R97-K100 VanDerWaalsContact O-N 3.15Å; R97-E101 PolarHBondContact O-N 3Å
98	D	63.5	Low	57.5	Low	80 Å²	80	125.3 Å²	125.3	43%	0.428	61%	0.605	S	S	.	*	H	α-helix	trans	-62.2	-34.3	177.6	-59.9	-15.5	0	0	0	111.5	R94 R95 E101 R102	R94-D98 VanDerWaalsContact O-CG 3.24Å; R94-D98 PolarHBondContact O-N 3.42Å; R95-D98 PolarHBondContact O-N 3.24Å; D98-E101 PolarHBondContact O-N 3.27Å; D98-R102 WeakPolarHBondContact O-CB 3.41Å; D98-R102 WeakPolarHBondContact O-CG 3.36Å; D98-R102 PolarHBondContact O-N 2.71Å
99	Q	61.2	Low	56.6	Low	131 Å²	131	125.3 Å²	125.3	61%	0.612	62%	0.62	S	S	*	*	H	α-helix	trans	-71.2	-39.4	175.2	-146.1	172	20.4	0	0	111.8	R95 R97 E101 R102 L103	R95-Q99 WeakPolarHBondContact O-CB 3.47Å; R95-Q99 PolarHBondContact O-N 2.83Å; R97-Q99 VanDerWaalsContact C-N 3.26Å; R97-Q99 PolarHBondContact O-N 2.61Å; Q99-E101 VanDerWaalsContact C-N 3.35Å; Q99-R102 PolarHBondContact O-N 3.02Å; Q99-L103 WeakPolarHBondContact O-CB 3.35Å; Q99-L103 WeakPolarHBondContact O-CG 3.44Å; Q99-L103 PolarHBondContact O-N 3.05Å
100	K	65.6	Low	55	Low	122 Å²	122	127 Å²	127	53%	0.53	63%	0.633	S	S	.	*	H	α-helix	trans	-68.8	-28.2	173	-81	169.2	173.4	164.8	0	113.3	E96 R97 K104	E96-K100 WeakPolarHBondContact O-CB 3.1Å; E96-K100 WeakPolarHBondContact O-CG 2.91Å; E96-K100 PolarHBondContact O-N 3.18Å; E96-K100 IonicContact OE1-NZ 2.62Å; E96-K100 PolarHBondContact OE1-NZ 2.84Å; R97-K100 CarbonylContact O-C 3.6Å; R97-K100 PolarHBondContact O-N 2.84Å; R97-K100 VanDerWaalsContact O-N 3.15Å; K100-K104 PolarHBondContact O-N 3.34Å
101	E	57.3	Low	53.8	Low	121 Å²	121	129.9 Å²	129.9	57%	0.565	65%	0.653	S	S	*	*	H	α-helix	trans	-76.5	-41.7	171.4	-73.8	-173.8	172.2	0	0	112	R97 D98 Q99 L103 K104 T105	R97-E101 PolarHBondContact O-N 3Å; D98-E101 PolarHBondContact O-N 3.27Å; Q99-E101 VanDerWaalsContact C-N 3.35Å; E101-L103 VanDerWaalsContact C-N 3.26Å; E101-L103 PolarHBondContact O-N 2.93Å; E101-K104 WeakPolarHBondContact O-CB 3.47Å; E101-K104 PolarHBondContact O-N 3.22Å; E101-T105 PolarHBondContact O-N 3.09Å; E101-T105 PolarHBondContact O-OG1 3.09Å
102	R	52	Low	52.4	Low	206 Å²	206	136.8 Å²	136.8	78%	0.777	68%	0.677	S	S	*	*	H	α-helix	trans	-60	-33.9	171.7	-78.9	179.6	166.7	-157.8	-5.9	113.2	D98 Q99 K104 T105	D98-R102 WeakPolarHBondContact O-CB 3.41Å; D98-R102 WeakPolarHBondContact O-CG 3.36Å; D98-R102 PolarHBondContact O-N 2.71Å; Q99-R102 PolarHBondContact O-N 3.02Å; R102-K104 VanDerWaalsContact C-N 3.28Å; R102-K104 PolarHBondContact O-N 3.25Å; R102-T105 PolarHBondContact O-N 2.68Å; R102-T105 PolarHBondContact O-OG1 3.18Å
103	L	51.1	Low	51	Low	144 Å²	144	142.6 Å²	142.6	75%	0.754	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	-14.3	173.5	-78.9	161.8	0	0	0	114.1	Q99 E101	Q99-L103 WeakPolarHBondContact O-CB 3.35Å; Q99-L103 WeakPolarHBondContact O-CG 3.44Å; Q99-L103 PolarHBondContact O-N 3.05Å; E101-L103 VanDerWaalsContact C-N 3.26Å; E101-L103 PolarHBondContact O-N 2.93Å
104	K	52.2	Low	49.2	Very low	183 Å²	183	142.5 Å²	142.5	80%	0.796	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	-19.5	173.7	-82.7	-179	171.2	-177.2	0	113.6	K100 E101 R102	K100-K104 PolarHBondContact O-N 3.34Å; E101-K104 WeakPolarHBondContact O-CB 3.47Å; E101-K104 PolarHBondContact O-N 3.22Å; R102-K104 VanDerWaalsContact C-N 3.28Å; R102-K104 PolarHBondContact O-N 3.25Å
105	T	43.6	Very low	47.8	Very low	110 Å²	110	137.4 Å²	137.4	68%	0.675	71%	0.706	S	S	*	*	S	Bend	trans	-101.2	83.4	178.8	49.6	0	0	0	0	109.8	E101 R102	E101-T105 PolarHBondContact O-N 3.09Å; E101-T105 PolarHBondContact O-OG1 3.09Å; R102-T105 PolarHBondContact O-N 2.68Å; R102-T105 PolarHBondContact O-OG1 3.18Å
106	G	32.4	Very low	46.2	Very low	64 Å²	64	138.1 Å²	138.1	66%	0.66	72%	0.715	S	S	*	*			trans	-77.5	141.2	-166.2	0	0	0	0	0	115.6
107	L	36	Very low	44.5	Very low	184 Å²	184	139.6 Å²	139.6	96%	0.963	73%	0.726	S	S	*	*			trans	-149.9	131.9	144.3	-109.8	151	0	0	0	107.7
108	V	33.2	Very low	43.1	Very low	121 Å²	121	142 Å²	142	73%	0.733	74%	0.737	S	S	*	*			trans	-112.7	139.5	-164.6	172.1	0	0	0	0	109.9	T110	V108-T110 HydrophobicContact CG1-CG2 3.73Å
109	S	37.1	Very low	41.7	Very low	126 Å²	126	142.3 Å²	142.3	88%	0.881	75%	0.746	S	S	*	*			trans	-140.2	136.1	149.3	-168.4	0	0	0	0	110
110	T	32.2	Very low	40.3	Very low	109 Å²	109	144.9 Å²	144.9	67%	0.669	76%	0.758	S	S	*	*			trans	-119.6	139.8	-169.2	52	0	0	0	0	111.7	V108	V108-T110 HydrophobicContact CG1-CG2 3.73Å
111	S	38.8	Very low	38.8	Very low	127 Å²	127	143.4 Å²	143.4	89%	0.888	76%	0.763	S	S	*	*			trans	-142.2	148.4	141.7	-164.7	0	0	0	0	110.2
112	R	34.7	Very low	37.8	Very low	214 Å²	214	148.6 Å²	148.6	81%	0.808	78%	0.777	S	S	*	*			trans	-122.2	149.8	-169.7	-61.4	171	179.2	156.3	-3.5	109.8
113	K	37.3	Very low	36.9	Very low	177 Å²	177	148.1 Å²	148.1	77%	0.77	78%	0.781	S	S	*	*				158.3	117	114.1	-85	-173.8	176.1	-178.3	0	111
114	I	33.4	Very low	36	Very low	162 Å²	162	146.8 Å²	146.8	83%	0.831	78%	0.783	S	S	*	*				83.8	125.9	97.8	-67.3	170.6	0	0	0	113.5
115	G	37.3	Very low	35.3	Very low	75 Å²	75	142.6 Å²	142.6	77%	0.773	78%	0.777	S	S	*	*			trans	160.6	97.3	168.9	0	0	0	0	0	111.3
116	E	34.6	Very low	34.8	Very low	168 Å²	168	143.9 Å²	143.9	79%	0.785	78%	0.78	S	S	*	*			trans	-104.7	161.7	-173.1	-65.5	-173.7	161.7	0	0	114.3
117	N	33.5	Very low	34.7	Very low	126 Å²	126	151.3 Å²	151.3	67%	0.674	79%	0.79	S	S	*	*			trans	67.8	123.4	152.4	-55.4	-35.1	0	0	0	119.5
118	Y	37.6	Very low	34.5	Very low	232 Å²	232	148 Å²	148	91%	0.91	78%	0.782	S	S	*	*				-166.4	170	98.6	-111.3	-82.4	0	0	0	111.6
119	S	34.2	Very low	34.3	Very low	87 Å²	87	153 Å²	153	61%	0.608	79%	0.788	S	S	*	*			trans	-123.8	157.8	-150.9	55.3	0	0	0	0	116.2
120	E	32.4	Very low	34	Very low	184 Å²	184	154.3 Å²	154.3	86%	0.86	78%	0.783	S	S	*	*			trans	53.6	129.9	150.1	-67.5	-171.5	139.6	0	0	121.4
121	S	34.9	Very low	33.8	Very low	92 Å²	92	157.9 Å²	157.9	64%	0.643	79%	0.792	S	S	*	*				166.9	157.9	85.1	66.6	0	0	0	0	115.1
122	R	35.9	Very low	33.3	Very low	230 Å²	230	157.3 Å²	157.3	87%	0.868	79%	0.788	S	S	*	*			trans	73.1	154.3	158.7	-58.1	165.3	-170.2	-152.1	-0.4	119.3
123	K	33	Very low	32.9	Very low	196 Å²	196	154 Å²	154	85%	0.852	79%	0.792	S	S	*	*			cis	-180	136.8	-46.1	-118.8	-174.1	178.5	-177.3	0	108.8
124	S	32.6	Very low	32.5	Very low	115 Å²	115	155.5 Å²	155.5	80%	0.804	79%	0.793	S	S	*	*			trans	62.6	134.7	157	-145.5	0	0	0	0	117.4
125	S	36	Very low	32.3	Very low	96 Å²	96	156.7 Å²	156.7	67%	0.671	80%	0.795	S	S	*	*			cis	-169.5	137.2	42.4	50.9	0	0	0	0	113.7
126	D	33.2	Very low	31.9	Very low	136 Å²	136	163.1 Å²	163.1	73%	0.727	80%	0.801	S	S	*	*			trans	48.9	117.2	138.8	-57.6	-36.7	0	0	0	125.1
127	Y	30	Very low	31.7	Very low	221 Å²	221	163.9 Å²	163.9	87%	0.867	81%	0.805	S	S	*	*			trans	54.4	106.5	133.6	-78.2	-91.9	0	0	0	121.6
128	S	33.3	Very low	31.7	Very low	113 Å²	113	162.9 Å²	162.9	79%	0.79	81%	0.808	S	S	*	*				-167.9	143.8	108.4	48.1	0	0	0	0	115.4
129	R	28.4	Very low	31.5	Very low	228 Å²	228	159.1 Å²	159.1	86%	0.86	80%	0.803	S	S	*	*			trans	48.4	103	154.3	-76.6	178.1	173.9	161.6	-0.4	122.3
130	I	30.5	Very low	31.7	Very low	153 Å²	153	159.5 Å²	159.5	79%	0.785	81%	0.805	S	S	*	*				42.3	94.8	114.2	-52.3	164.8	0	0	0	117
131	E	27.3	Very low	32	Very low	183 Å²	183	156.3 Å²	156.3	86%	0.855	80%	0.799	S	S	*	*				-176.3	173.7	119.9	-108.3	168.1	165	0	0	109.9
132	S	28.5	Very low	32.3	Very low	116 Å²	116	159 Å²	159	81%	0.811	79%	0.794	S	S	*	*			trans	68.8	88.1	179	74	0	0	0	0	119
133	T	27.2	Very low	32.5	Very low	144 Å²	144	153.2 Å²	153.2	88%	0.883	78%	0.777	S	S	*	*			trans	-145.1	70.1	157.4	42.6	0	0	0	0	111.7
134	R	28.2	Very low	33	Very low	208 Å²	208	151.7 Å²	151.7	79%	0.785	77%	0.766	S	S	*	*			trans	-153.1	33.2	177.1	-131.8	173.4	-176.7	-159.6	-6.6	118.2	N79	N79-R134 PolarHBondContact OD1-NH2 2.84Å
135	E	29.9	Very low	33.5	Very low	187 Å²	187	155.6 Å²	155.6	87%	0.874	76%	0.763	S	S	*	*			trans	-139.4	100.8	175	-97.2	163.2	-141.7	0	0	111.6
136	K	29.7	Very low	33.8	Very low	211 Å²	211	156 Å²	156	92%	0.917	75%	0.754	S	S	*	*			trans	-175.4	26.8	160	-108.6	157.9	-170	172.5	0	116.9
137	E	29.8	Very low	34.1	Very low	184 Å²	184	152 Å²	152	86%	0.86	74%	0.741	S	S	*	*			trans	-137.5	67.4	177.4	-68.8	-164.5	152.6	0	0	114
138	S	33.3	Very low	34.7	Very low	105 Å²	105	146.9 Å²	146.9	73%	0.734	73%	0.725	S	S	*	*	S	Bend	trans	-140.2	-11.5	170.5	58.1	0	0	0	0	115.4
139	L	34.1	Very low	35	Very low	153 Å²	153	150.6 Å²	150.6	80%	0.801	72%	0.722	S	S	*	*			trans	-112.7	81.3	-169.9	-63.2	171.4	0	0	0	112.6
140	S	38.2	Very low	35.6	Very low	95 Å²	95	146.7 Å²	146.7	66%	0.664	71%	0.713	S	S	*	*	S	Bend	trans	-147.4	-11.7	174.4	66.7	0	0	0	0	118.3
141	T	38.7	Very low	36.1	Very low	117 Å²	117	146.5 Å²	146.5	72%	0.718	71%	0.713	S	S	*	*	S	Bend	trans	-99.9	-30.4	178.1	42	0	0	0	0	114.1
142	R	40.3	Very low	36.6	Very low	147 Å²	147	145.4 Å²	145.4	56%	0.555	71%	0.709	S	S	*	*	H	α-helix	trans	-70.1	-49.8	-177.9	-140.8	173.8	-167.9	177.6	0.6	112.2	R144 R145 E146 N387	R142-R144 VanDerWaalsContact C-N 3.27Å; R142-R144 PolarHBondContact O-N 3.45Å; R142-R145 PolarHBondContact O-N 2.7Å; R142-E146 PolarHBondContact O-N 2.8Å; R142-N387 PolarHBondContact NH2-O 2.77Å
143	H	41.3	Very low	36.9	Very low	110 Å²	110	145.3 Å²	145.3	51%	0.509	70%	0.703	S	S	.	*	H	α-helix	trans	-65.7	-18.9	-179.7	-89.7	-32.3	0	0	0	115.6	E146 A147	H143-E146 IonicContact CE1-OE2 3.94Å; H143-E146 IonicContact CG-OE2 2.74Å; H143-E146 IonicContact ND1-OE2 3.16Å; H143-E146 PolarHBondContact ND1-OE2 2.84Å; H143-A147 PolarHBondContact O-N 2.78Å
144	R	43.3	Very low	37.3	Very low	164 Å²	164	144.3 Å²	144.3	62%	0.619	70%	0.699	S	S	*	*	H	α-helix	trans	-74.3	-37.5	176.1	-173.9	172.7	-71.4	173.8	-3.7	112	R142 A147 E148	R142-R144 VanDerWaalsContact C-N 3.27Å; R142-R144 PolarHBondContact O-N 3.45Å; R144-A147 PolarHBondContact O-N 3.49Å; R144-E148 WeakPolarHBondContact CG-OE1 3.42Å; R144-E148 WeakPolarHBondContact O-CB 3.39Å; R144-E148 WeakPolarHBondContact O-CG 3.45Å; R144-E148 PolarHBondContact O-N 3.09Å
145	R	41.4	Very low	37.5	Very low	196 Å²	196	140.1 Å²	140.1	74%	0.74	70%	0.702	S	S	*	*	H	α-helix	trans	-70.2	-34.4	176.3	-85.8	-175.9	172.2	172.1	-2.5	113.4	R142 W149	R142-R145 PolarHBondContact O-N 2.7Å; R145-W149 PolarHBondContact O-N 3.26Å
146	E	42.3	Very low	37.5	Very low	104 Å²	104	140.2 Å²	140.2	49%	0.486	70%	0.702	S	S	.	*	H	α-helix	trans	-67.1	-40.8	175.4	-70.2	169.1	163.3	0	0	111.3	R142 H143 W149 E150	R142-E146 PolarHBondContact O-N 2.8Å; H143-E146 IonicContact CE1-OE2 3.94Å; H143-E146 IonicContact CG-OE2 2.74Å; H143-E146 IonicContact ND1-OE2 3.16Å; H143-E146 PolarHBondContact ND1-OE2 2.84Å; E146-W149 PolarHBondContact O-N 3.07Å; E146-E150 PolarHBondContact O-N 2.99Å
147	A	40.4	Very low	37.6	Very low	54 Å²	54	135.6 Å²	135.6	45%	0.446	70%	0.696	S	S	.	*	H	α-helix	trans	-67.1	-40.2	174.8	0	0	0	0	0	112.8	H143 R144 W149 E150	H143-A147 PolarHBondContact O-N 2.78Å; R144-A147 PolarHBondContact O-N 3.49Å; A147-W149 PolarHBondContact O-N 3.11Å; A147-E150 PolarHBondContact O-N 3.2Å
148	E	42.3	Very low	37.6	Very low	113 Å²	113	132 Å²	132	53%	0.528	69%	0.691	S	S	.	*	H	α-helix	trans	-68.7	-17.5	177.1	-74.1	166.9	177.2	0	0	113.3	R144	R144-E148 WeakPolarHBondContact CG-OE1 3.42Å; R144-E148 WeakPolarHBondContact O-CB 3.39Å; R144-E148 WeakPolarHBondContact O-CG 3.45Å; R144-E148 PolarHBondContact O-N 3.09Å
149	W	39.6	Very low	37.4	Very low	191 Å²	191	137.4 Å²	137.4	72%	0.723	70%	0.695	S	S	*	*	H	α-helix	trans	-91.1	-21.5	177.2	-95.5	34.2	0	0	0	114.6	R145 E146 A147	R145-W149 PolarHBondContact O-N 3.26Å; E146-W149 PolarHBondContact O-N 3.07Å; A147-W149 PolarHBondContact O-N 3.11Å
150	E	41.4	Very low	37.2	Very low	146 Å²	146	136.6 Å²	136.6	68%	0.682	69%	0.687	S	S	*	*	H	α-helix	trans	-81	-20.7	176.7	-69.2	-172.1	144.6	0	0	112.6	E146 A147	E146-E150 PolarHBondContact O-N 2.99Å; A147-E150 PolarHBondContact O-N 3.2Å
151	D	42	Very low	37	Very low	148 Å²	148	137.9 Å²	137.9	79%	0.791	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	-9.9	-179.4	-80.4	-21.3	0	0	0	114.7
152	E	36.7	Very low	36.5	Very low	161 Å²	161	143.2 Å²	143.2	75%	0.752	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	11.5	-173.2	-70.9	-158.7	155.4	0	0	116
153	T	35.8	Very low	36.2	Very low	113 Å²	113	140.7 Å²	140.7	69%	0.693	70%	0.699	S	S	*	*			trans	-107.4	111.8	176.3	54.5	0	0	0	0	113.4	S155	T153-S155 PolarHBondContact O-N 3.44Å
154	P	34.8	Very low	35.8	Very low	123 Å²	123	141.2 Å²	141.2	80%	0.799	71%	0.71	S	S	*	*			trans	-74.2	121.3	-177.8	-16.4	30.8	0	0	0	113.4	H156	P154-H156 PolarHBondContact O-N 3.03Å
155	S	31.9	Very low	35.4	Very low	120 Å²	120	139.3 Å²	139.3	84%	0.839	72%	0.722	S	S	*	*			trans	-87.5	100.2	171.1	48.6	0	0	0	0	111.3	T153 S157	T153-S155 PolarHBondContact O-N 3.44Å; S155-S157 PolarHBondContact O-N 2.95Å
156	H	30.6	Very low	35.1	Very low	190 Å²	190	133.1 Å²	133.1	88%	0.88	72%	0.719	S	S	*	*			trans	-76.6	116.9	175.7	-113.2	-71	0	0	0	111.2	P154	P154-H156 PolarHBondContact O-N 3.03Å
157	S	32.4	Very low	34.7	Very low	113 Å²	113	135.6 Å²	135.6	79%	0.79	74%	0.741	S	S	*	*			trans	-115.8	155.4	165.7	61.6	0	0	0	0	111.5	S155	S155-S157 PolarHBondContact O-N 2.95Å
158	S	28.9	Very low	34.4	Very low	109 Å²	109	137.7 Å²	137.7	76%	0.762	75%	0.752	S	S	*	*			trans	-77.1	149.1	-159.3	55.5	0	0	0	0	116.2
159	R	29.7	Very low	34	Very low	218 Å²	218	137.1 Å²	137.1	82%	0.823	76%	0.76	S	S	*	*			trans	-165	135.1	132	-115.2	175.5	155.5	119.9	0.2	115.6
160	E	30.2	Very low	33.7	Very low	136 Å²	136	134.1 Å²	134.1	64%	0.636	76%	0.759	S	S	*	*			trans	83.9	115.7	140.2	-84.1	168.3	-133.8	0	0	124.4
161	N	32.9	Very low	33.3	Very low	123 Å²	123	135.5 Å²	135.5	66%	0.658	76%	0.758	S	S	*	*				111.1	112.1	128.6	-74	-36.2	0	0	0	121.3
162	R	29	Very low	33	Very low	229 Å²	229	136.5 Å²	136.5	86%	0.864	76%	0.755	S	S	*	*			trans	56.4	139.7	134	-69.8	178.6	170.3	-177.5	-3.6	119.5
163	S	33.8	Very low	32.8	Very low	93 Å²	93	136.8 Å²	136.8	65%	0.65	76%	0.756	S	S	*	*			cis	-173.5	163.5	0.4	43.4	0	0	0	0	113.2
164	T	32.4	Very low	32.7	Very low	122 Å²	122	138 Å²	138	75%	0.748	76%	0.764	S	S	*	*			trans	75	122.5	146.2	38	0	0	0	0	123.8
165	S	35.7	Very low	32.8	Very low	124 Å²	124	137.5 Å²	137.5	87%	0.867	76%	0.761	S	S	*	*			trans	63.6	134.9	143.6	58.3	0	0	0	0	121.5
166	G	34.1	Very low	32.8	Very low	66 Å²	66	140.6 Å²	140.6	68%	0.68	76%	0.762	S	S	*	*			cis	159.9	168.4	-8.7	0	0	0	0	0	114
167	V	34.1	Very low	33.1	Very low	155 Å²	155	138.9 Å²	138.9	94%	0.939	76%	0.758	S	S	*	*			trans	69.3	141	158.2	-175.2	0	0	0	0	116.9
168	S	33.1	Very low	33.4	Very low	98 Å²	98	144.1 Å²	144.1	69%	0.685	76%	0.762	S	S	*	*			cis	-174.8	177.5	-19.8	-178.6	0	0	0	0	109.5
169	S	35.6	Very low	33.5	Very low	101 Å²	101	146.3 Å²	146.3	71%	0.706	77%	0.765	S	S	*	*			trans	80.6	117.2	167.2	71.7	0	0	0	0	117.8
170	N	32.6	Very low	33.8	Very low	128 Å²	128	143 Å²	143	68%	0.684	77%	0.768	S	S	*	*				79.6	137.6	64.9	-80.8	-32.8	0	0	0	112.5
171	R	33.2	Very low	34	Very low	176 Å²	176	140 Å²	140	66%	0.664	77%	0.774	S	S	*	*			cis	-165	-171.4	5.7	-157	171.7	-78.6	-179.5	-3.8	110.5
172	F	34.6	Very low	34	Very low	168 Å²	168	137.8 Å²	137.8	74%	0.737	78%	0.781	S	S	*	*			trans	87.3	117.2	166.6	-52.6	-72.1	0	0	0	115.1
173	E	33.9	Very low	34.2	Very low	167 Å²	167	138.9 Å²	138.9	78%	0.78	79%	0.785	S	S	*	*			cis	107.2	132.1	35.1	-80.5	-178.7	144.2	0	0	112.6
174	T	32.7	Very low	34.1	Very low	139 Å²	139	139.8 Å²	139.8	85%	0.853	79%	0.791	S	S	*	*			trans	-100.6	-178.6	-176.9	58	0	0	0	0	110.4
175	P	38.1	Very low	34.4	Very low	113 Å²	113	140.1 Å²	140.1	73%	0.734	80%	0.796	S	S	*	*				-156.7	168.2	70.7	38.6	-14.6	0	0	0	119.9
176	E	31.4	Very low	34.4	Very low	184 Å²	184	137.8 Å²	137.8	86%	0.86	79%	0.791	S	S	*	*			trans	11.8	143.6	148.6	-55	-176.2	170	0	0	125.8
177	I	36.5	Very low	34.5	Very low	155 Å²	155	143 Å²	143	80%	0.795	80%	0.797	S	S	*	*			trans	-149.2	113	137.9	-74.5	-159.4	0	0	0	112.8
178	Y	38.5	Very low	34.5	Very low	223 Å²	223	140 Å²	140	88%	0.875	78%	0.783	S	S	*	*			trans	61.6	141.4	140.7	-73	-96.7	0	0	0	128
179	N	31.5	Very low	34.3	Very low	155 Å²	155	140.1 Å²	140.1	83%	0.829	78%	0.784	S	S	*	*			trans	-89.2	152.3	179.6	-80.4	-49	0	0	0	116.5
180	V	36.9	Very low	34.3	Very low	147 Å²	147	147.1 Å²	147.1	89%	0.891	80%	0.795	S	S	*	*				-158.8	144.3	128.5	-172.5	0	0	0	0	107.6
181	G	33.7	Very low	34.3	Very low	73 Å²	73	148.4 Å²	148.4	75%	0.753	80%	0.802	S	S	*	*			cis	138.2	86.8	-9.8	0	0	0	0	0	114.8
182	G	33.5	Very low	34.3	Very low	78 Å²	78	146.8 Å²	146.8	80%	0.804	81%	0.807	S	S	*	*			trans	-165.9	66.9	-170.7	0	0	0	0	0	121.1
183	R	33.3	Very low	34.3	Very low	251 Å²	251	143.4 Å²	143.4	95%	0.947	80%	0.804	S	S	*	*			trans	50.7	112.5	148.5	-62.9	-175.6	176.6	-168.4	-2.1	123
184	S	30	Very low	34	Very low	112 Å²	112	140 Å²	140	78%	0.783	80%	0.804	S	S	*	*			trans	-77.5	-159.1	151.9	-34.9	0	0	0	0	111.4
185	P	40.2	Very low	34.1	Very low	130 Å²	130	141.8 Å²	141.8	84%	0.844	81%	0.808	S	S	*	*			cis	-143.6	179	-4.3	39.2	-18.3	0	0	0	118.4
186	G	35	Very low	33.7	Very low	74 Å²	74	139.8 Å²	139.8	76%	0.763	81%	0.808	S	S	*	*			trans	118.3	145.9	150.2	0	0	0	0	0	116.4
187	H	35.4	Very low	33.7	Very low	175 Å²	175	136.4 Å²	136.4	81%	0.81	80%	0.804	S	S	*	*			cis	-166.7	157.6	-6.3	-175.9	-86.7	0	0	0	110.6
188	S	34.7	Very low	33.4	Very low	93 Å²	93	133.9 Å²	133.9	65%	0.65	80%	0.8	S	S	*	*			trans	68.5	128.6	164	35.1	0	0	0	0	121.7
189	S	29.4	Very low	33	Very low	101 Å²	101	134.2 Å²	134.2	71%	0.706	80%	0.8	S	S	*	*			trans	-65.8	174.4	156.3	52.9	0	0	0	0	112.9
190	W	35.3	Very low	32.9	Very low	247 Å²	247	131.9 Å²	131.9	94%	0.936	80%	0.796	S	S	*	*				-175.8	151.9	119.4	-96.2	93.7	0	0	0	108
191	D	32.6	Very low	32.8	Very low	156 Å²	156	131.9 Å²	131.9	83%	0.834	80%	0.796	S	S	*	*			trans	-92.2	174.5	-162.4	-147.4	-16.9	0	0	0	114.4
192	D	34.1	Very low	32.7	Very low	141 Å²	141	134.6 Å²	134.6	75%	0.754	80%	0.799	S	S	*	*			trans	94.6	133.1	146.7	-139.6	-7.2	0	0	0	122.7
193	S	34.1	Very low	32.8	Very low	97 Å²	97	137.1 Å²	137.1	68%	0.678	80%	0.801	S	S	*	*			trans	73.3	91.6	149.4	70	0	0	0	0	123
194	A	27.8	Very low	32.6	Very low	96 Å²	96	135.5 Å²	135.5	79%	0.793	80%	0.795	S	S	*	*				36.2	150.9	119.3	0	0	0	0	0	124.5
195	L	34.3	Very low	32.9	Very low	176 Å²	176	137.3 Å²	137.3	92%	0.921	80%	0.801	S	S	*	*			trans	94.2	108.4	158.5	-57	170.9	0	0	0	120
196	G	29.9	Very low	32.6	Very low	71 Å²	71	137 Å²	137	73%	0.732	80%	0.797	S	S	*	*				91.8	88.1	105	0	0	0	0	0	120.8
197	S	30.2	Very low	32.5	Very low	113 Å²	113	137.2 Å²	137.2	79%	0.79	80%	0.799	S	S	*	*			trans	57.4	127	136.8	-164.8	0	0	0	0	122
198	S	30.8	Very low	32.5	Very low	102 Å²	102	133.8 Å²	133.8	71%	0.713	80%	0.795	S	S	*	*			trans	131.2	126.6	133.9	-60.8	0	0	0	0	116.7
199	R	30.6	Very low	32.5	Very low	231 Å²	231	137.5 Å²	137.5	87%	0.872	81%	0.807	S	S	*	*			trans	72	95	146	-73.1	179.4	165.8	-176.1	-4.5	120.9
200	S	29.8	Very low	32.7	Very low	105 Å²	105	137.3 Å²	137.3	73%	0.734	81%	0.811	S	S	*	*				44.9	115.3	116.7	65.7	0	0	0	0	120
201	T	34.6	Very low	32.4	Very low	147 Å²	147	137.2 Å²	137.2	90%	0.902	81%	0.811	S	S	*	*			trans	-139.5	138.9	151.6	17.6	0	0	0	0	110.6
202	T	30.7	Very low	32.4	Very low	131 Å²	131	137.6 Å²	137.6	80%	0.804	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-100.4	155.3	178.9	47.2	0	0	0	0	111.4
203	P	35.6	Very low	32.1	Very low	131 Å²	131	135.5 Å²	135.5	85%	0.851	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-97.6	141	157.9	4.4	15.5	0	0	0	111.6
204	R	29.9	Very low	32	Very low	216 Å²	216	137.6 Å²	137.6	82%	0.815	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-90.4	138.1	173.8	-64.1	158	65.5	-168	3.9	110.3
205	T	36.7	Very low	32.1	Very low	150 Å²	150	140.5 Å²	140.5	92%	0.92	82%	0.815	S	S	*	*			trans	-141.3	147.4	143.5	42.3	0	0	0	0	109.6
206	T	33.1	Very low	32	Very low	123 Å²	123	139.8 Å²	139.8	76%	0.755	81%	0.812	S	S	*	*			trans	-127.8	147	-152.1	48.5	0	0	0	0	115.1
207	G	34	Very low	32	Very low	79 Å²	79	146.3 Å²	146.3	81%	0.814	82%	0.815	S	S	*	*			trans	122.8	144	160.8	0	0	0	0	0	113.5
208	S	33.9	Very low	32	Very low	104 Å²	104	152.5 Å²	152.5	73%	0.727	82%	0.823	S	S	*	*			cis	-166.9	153	-9	-161.5	0	0	0	0	109.6
209	L	35.4	Very low	32.1	Very low	170 Å²	170	152.7 Å²	152.7	89%	0.89	82%	0.819	S	S	*	*			trans	64.3	135.2	167.7	-55.4	157.1	0	0	0	115.6
210	A	33.7	Very low	32.1	Very low	97 Å²	97	152 Å²	152	80%	0.802	82%	0.818	S	S	*	*			cis	-159.9	156.9	20.9	0	0	0	0	0	109.9
211	R	28.8	Very low	32.1	Very low	245 Å²	245	152 Å²	152	93%	0.925	81%	0.814	S	S	*	*			trans	-76.1	137.1	178.2	-70.5	167.6	164.3	164.9	-7.5	111.6
212	N	32.3	Very low	32.1	Very low	165 Å²	165	150.2 Å²	150.2	88%	0.882	81%	0.805	S	S	*	*				-152.2	141.3	127.3	-125.8	-5.7	0	0	0	111.9
213	S	29	Very low	32.1	Very low	96 Å²	96	152 Å²	152	67%	0.671	81%	0.806	S	S	*	*			trans	-88.9	133.4	-179.6	52.4	0	0	0	0	111.3
214	N	32.2	Very low	31.7	Very low	141 Å²	141	151.6 Å²	151.6	75%	0.754	80%	0.804	S	S	*	*			trans	-169.1	104.1	137.7	-94.7	-26.8	0	0	0	111.7	D216	N214-D216 PolarHBondContact O-N 2.98Å; N214-D216 VanDerWaalsContact O-N 3.14Å
215	N	29	Very low	31.7	Very low	157 Å²	157	147 Å²	147	84%	0.84	80%	0.8	S	S	*	*				33.1	69	121	-162.4	31.3	0	0	0	117.9
216	D	32.1	Very low	31.3	Very low	162 Å²	162	144.9 Å²	144.9	87%	0.866	79%	0.789	S	S	*	*			trans	-110	134.9	170	-98.8	-41.7	0	0	0	113.7	N214	N214-D216 PolarHBondContact O-N 2.98Å; N214-D216 VanDerWaalsContact O-N 3.14Å
217	R	29.5	Very low	31	Very low	208 Å²	208	142.6 Å²	142.6	79%	0.785	78%	0.778	S	S	*	*			trans	-100	126.9	-168.8	-175.8	-178	-68.3	170.4	-4.1	107.9	T219	R217-T219 PolarHBondContact O-N 3.35Å; R217-T219 PolarHBondContact O-OG1 3.18Å
218	Y	31.4	Very low	30.9	Very low	243 Å²	243	147.1 Å²	147.1	95%	0.953	78%	0.775	S	S	*	*			trans	-52.7	105.1	179.3	-86.5	-88.6	0	0	0	110.7
219	T	32	Very low	30.8	Very low	105 Å²	105	151 Å²	151	64%	0.644	78%	0.779	S	S	*	*			trans	-109.4	118.6	179.8	-51.1	0	0	0	0	106.7	R217 T221	R217-T219 PolarHBondContact O-N 3.35Å; R217-T219 PolarHBondContact O-OG1 3.18Å; T219-T221 PolarHBondContact O-N 3.12Å; T219-T221 PolarHBondContact O-OG1 3.4Å
220	Y	30.9	Very low	30.8	Very low	216 Å²	216	149.3 Å²	149.3	85%	0.847	77%	0.766	S	S	*	*			trans	-68.7	99.3	178.2	-177.8	-92.8	0	0	0	108.8
221	T	28.8	Very low	30.7	Very low	107 Å²	107	150.7 Å²	150.7	66%	0.656	76%	0.76	S	S	*	*			trans	-120.7	127.2	171.8	37	0	0	0	0	108.7	T219 M223	T219-T221 PolarHBondContact O-N 3.12Å; T219-T221 PolarHBondContact O-OG1 3.4Å; T221-M223 PolarHBondContact O-N 3.42Å
222	P	36.3	Very low	30.8	Very low	109 Å²	109	143.4 Å²	143.4	71%	0.708	75%	0.747	S	S	*	*			trans	-60.9	132.9	164.2	27.3	-31.6	0	0	0	107.8
223	M	31	Very low	31.1	Very low	167 Å²	167	140.3 Å²	140.3	82%	0.823	72%	0.723	S	S	*	*			trans	-60	132.4	176.8	-75.2	-90.4	-76.7	0	0	108.9	T221 T225	T221-M223 PolarHBondContact O-N 3.42Å; M223-T225 PolarHBondContact O-N 2.85Å
224	P	26.8	Very low	31.3	Very low	124 Å²	124	141.5 Å²	141.5	81%	0.805	72%	0.719	S	S	*	*			trans	-72.8	89.5	-179.5	29.6	-34.3	0	0	0	110.2
225	T	30	Very low	31.4	Very low	119 Å²	119	138.9 Å²	138.9	73%	0.73	70%	0.703	S	S	*	*			trans	-67.6	129.6	160.5	36.1	0	0	0	0	108.3	M223 S227	M223-T225 PolarHBondContact O-N 2.85Å; T225-S227 PolarHBondContact O-N 3.21Å
226	P	28.3	Very low	31.7	Very low	105 Å²	105	135.5 Å²	135.5	68%	0.682	69%	0.691	S	S	*	*			trans	-72.3	102.2	-169.7	27.2	-34.4	0	0	0	111.8
227	S	27	Very low	32	Very low	75 Å²	75	134.5 Å²	134.5	52%	0.524	69%	0.686	S	S	.	*	S	Bend	trans	-61.3	145.3	145.4	56.4	0	0	0	0	108.3	T225	T225-S227 PolarHBondContact O-N 3.21Å
228	F	30.7	Very low	32.2	Very low	175 Å²	175	132.5 Å²	132.5	77%	0.768	68%	0.683	S	S	*	*	S	Bend	trans	64.8	64.4	-173.4	-53.2	-86.3	0	0	0	116.9
229	K	31.9	Very low	32.2	Very low	186 Å²	186	127.6 Å²	127.6	81%	0.809	67%	0.673	S	S	*	*	S	Bend	trans	-159.6	125.7	144.4	-107.9	153.9	-168.8	177.5	0	111.6
230	H	35.1	Very low	32.2	Very low	134 Å²	134	130.1 Å²	130.1	62%	0.62	68%	0.682	S	S	*	*			trans	0.6	119.5	176.1	-77.6	-56.9	0	0	0	119.3	S232 Q235	H230-S232 PolarHBondContact O-N 3.41Å; H230-Q235 PolarHBondContact CD2-OE1 3.3Å; H230-Q235 VanDerWaalsContact CE1-CD 3.48Å; H230-Q235 PolarHBondContact CE1-NE2 2.92Å; H230-Q235 PolarHBondContact NE2-NE2 3.06Å; H230-Q235 VanDerWaalsContact NE2-NE2 3.19Å
231	N	32.6	Very low	32.2	Very low	126 Å²	126	126.4 Å²	126.4	67%	0.674	68%	0.683	S	S	*	*			trans	-61	100	144.2	-82.8	-8.3	0	0	0	108.4	W233 M234	N231-W233 PolarHBondContact O-N 3.25Å; N231-M234 PolarHBondContact O-N 3.03Å
232	S	31	Very low	32.2	Very low	92 Å²	92	124.5 Å²	124.5	64%	0.643	68%	0.684	S	S	*	*	H	α-helix	trans	-60.5	-27.5	-179.5	52	0	0	0	0	113	H230 M234 Q235 S236	H230-S232 PolarHBondContact O-N 3.41Å; S232-M234 PolarHBondContact O-N 3.08Å; S232-Q235 PolarHBondContact O-N 3.17Å; S232-S236 PolarHBondContact O-N 3.2Å
233	W	38	Very low	31.8	Very low	99 Å²	99	128.3 Å²	128.3	38%	0.375	69%	0.692	S	S	.	*	H	α-helix	trans	-52.4	-49.7	168.9	-178.9	-15.4	0	0	0	111.5	N231 Q235 S236 Q1020 Q1021	N231-W233 PolarHBondContact O-N 3.25Å; W233-Q235 PolarHBondContact O-N 3.48Å; W233-Q235 VanDerWaalsContact O-N 3.12Å; W233-S236 PolarHBondContact O-N 3.42Å; W233-S236 PolarHBondContact O-OG 3.44Å; W233-Q1020 HydrophobicContact CE3-CG 4.49Å; W233-Q1020 HydrophobicContact CH2-CB 4.44Å; W233-Q1020 HydrophobicContact CH2-CG 4.15Å; W233-Q1020 HydrophobicContact CZ3-CG 3.96Å; W233-Q1021 HydrophobicContact CH2-CG 3.99Å; W233-Q1021 HydrophobicContact CZ3-CG 3.73Å
234	M	33.7	Very low	31.7	Very low	122 Å²	122	126.2 Å²	126.2	60%	0.601	69%	0.694	S	S	*	*	H	α-helix	trans	-65.1	-20	-177.3	-89.4	-167.9	172.4	0	0	114.1	N231 S232	N231-M234 PolarHBondContact O-N 3.03Å; S232-M234 PolarHBondContact O-N 3.08Å
235	Q	33.1	Very low	31.9	Very low	86 Å²	86	128 Å²	128	40%	0.402	70%	0.696	S	S	.	*	H	α-helix	trans	-86.9	-27.2	176.5	-69.7	-170.6	-57.4	0	0	113.4	H230 S232 W233 N237 K238	H230-Q235 PolarHBondContact CD2-OE1 3.3Å; H230-Q235 VanDerWaalsContact CE1-CD 3.48Å; H230-Q235 PolarHBondContact CE1-NE2 2.92Å; H230-Q235 PolarHBondContact NE2-NE2 3.06Å; H230-Q235 VanDerWaalsContact NE2-NE2 3.19Å; S232-Q235 PolarHBondContact O-N 3.17Å; W233-Q235 PolarHBondContact O-N 3.48Å; W233-Q235 VanDerWaalsContact O-N 3.12Å; Q235-N237 VanDerWaalsContact C-N 3.3Å; Q235-N237 PolarHBondContact O-N 3.18Å; Q235-K238 PolarHBondContact O-N 3.05Å
236	S	35.6	Very low	32	Very low	85 Å²	85	126.9 Å²	126.9	59%	0.594	69%	0.693	S	S	*	*	H	α-helix	trans	-71.2	-21.9	-175.6	63.9	0	0	0	0	114.1	S232 W233	S232-S236 PolarHBondContact O-N 3.2Å; W233-S236 PolarHBondContact O-N 3.42Å; W233-S236 PolarHBondContact O-OG 3.44Å
237	N	37.7	Very low	32.1	Very low	141 Å²	141	133.2 Å²	133.2	75%	0.754	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.9	3.7	179	-90	-7.1	0	0	0	115.4	Q235	Q235-N237 VanDerWaalsContact C-N 3.3Å; Q235-N237 PolarHBondContact O-N 3.18Å
238	K	35	Very low	32.2	Very low	167 Å²	167	139.8 Å²	139.8	73%	0.726	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.9	-3.6	177	-83.4	-174.8	173.3	178.9	0	115.3	Q235	Q235-K238 PolarHBondContact O-N 3.05Å
239	N	31.7	Very low	32.4	Very low	140 Å²	140	139.7 Å²	139.7	75%	0.749	73%	0.725	S	S	*	*	S	Bend	trans	-101	27.8	-174.8	-77.9	-2.9	0	0	0	114.8
240	N	31.2	Very low	32.5	Very low	157 Å²	157	138.8 Å²	138.8	84%	0.84	72%	0.723	S	S	*	*	S	Bend	trans	-133.7	25	176.8	-148	19.7	0	0	0	115.1
241	T	30.5	Very low	32.6	Very low	139 Å²	139	138.6 Å²	138.6	85%	0.853	74%	0.737	S	S	*	*			trans	-139.2	64.5	171.7	42.7	0	0	0	0	110.2
242	G	28.3	Very low	32.6	Very low	66 Å²	66	136 Å²	136	68%	0.68	74%	0.739	S	S	*	*			trans	-124.5	133.2	179.3	0	0	0	0	0	112.5
243	H	29.3	Very low	32.7	Very low	190 Å²	190	142 Å²	142	88%	0.88	75%	0.748	S	S	*	*			trans	70.9	97.5	172.6	-65	26.5	0	0	0	116.8
244	S	28.7	Very low	32.7	Very low	123 Å²	123	144 Å²	144	86%	0.86	76%	0.762	S	S	*	*				-174.1	124.5	87.9	38.3	0	0	0	0	110.9
245	D	29.8	Very low	33	Very low	161 Å²	161	143.1 Å²	143.1	86%	0.861	76%	0.763	S	S	*	*			trans	-148.1	156.6	165.5	-153.8	-9.6	0	0	0	110.5
246	S	32.5	Very low	33.2	Very low	95 Å²	95	146.7 Å²	146.7	66%	0.664	78%	0.779	S	S	*	*			trans	79	121.3	179.2	81.8	0	0	0	0	118.8
247	R	30.9	Very low	33.4	Very low	238 Å²	238	148 Å²	148	90%	0.898	78%	0.779	S	S	*	*			trans	71	100.9	146.5	-66.5	175.7	174.5	171.7	-0.8	119.8
248	K	29.4	Very low	33.5	Very low	214 Å²	214	148.3 Å²	148.3	93%	0.93	78%	0.776	S	S	*	*			trans	-129.4	122.3	131.8	-81	-173.7	176.2	175.2	0	111.2
249	Q	34.8	Very low	33.6	Very low	173 Å²	173	144.6 Å²	144.6	81%	0.808	77%	0.772	S	S	*	*			trans	-129.6	127.1	159.1	-102.3	-170.8	-3.9	0	0	108.7
250	H	33.7	Very low	34	Very low	167 Å²	167	146.6 Å²	146.6	77%	0.773	78%	0.776	S	S	*	*			trans	64.7	137.8	159.5	-65.1	-69.8	0	0	0	122.9
251	S	36.1	Very low	34.5	Very low	129 Å²	129	144 Å²	144	90%	0.902	77%	0.768	S	S	*	*			trans	67.5	137.6	169.7	74.3	0	0	0	0	117.2
252	G	33.6	Very low	34.8	Very low	71 Å²	71	145.6 Å²	145.6	73%	0.732	77%	0.766	S	S	*	*			cis	169.6	146.1	-12.6	0	0	0	0	0	112.9
253	R	33.5	Very low	35.1	Very low	219 Å²	219	149.9 Å²	149.9	83%	0.826	77%	0.772	S	S	*	*			trans	72	123.7	164	-77.4	-175.6	129.5	149.2	0.5	121.6
254	H	38.1	Very low	35.4	Very low	142 Å²	142	145.2 Å²	145.2	66%	0.657	76%	0.761	S	S	*	*			trans	66.6	143.6	137.6	-58.8	-46.5	0	0	0	119.2
255	T	38.8	Very low	35.8	Very low	102 Å²	102	145.2 Å²	145.2	63%	0.626	76%	0.761	S	S	*	*			cis	-171.2	148.6	-2.3	16.9	0	0	0	0	110.3
256	H	38.5	Very low	35.9	Very low	161 Å²	161	146.2 Å²	146.2	75%	0.745	76%	0.76	S	S	*	*			trans	57.9	152.2	154	-70.8	-64.3	0	0	0	118.1
257	D	38.6	Very low	36	Very low	112 Å²	112	149.7 Å²	149.7	60%	0.599	77%	0.772	S	S	*	*			cis	-172.3	177.7	-7.7	-109.8	10.4	0	0	0	108.4
258	Q	39.6	Very low	36.2	Very low	148 Å²	148	146.6 Å²	146.6	69%	0.692	77%	0.773	S	S	*	*			cis	-160.1	150.9	-2.2	-135.6	172.6	80.5	0	0	110.1
259	S	38.1	Very low	36.5	Very low	90 Å²	90	140 Å²	140	63%	0.629	77%	0.766	S	S	*	*			trans	60.9	151.7	140.5	76.9	0	0	0	0	122
260	H	40.2	Very low	36.4	Very low	181 Å²	181	140.1 Å²	140.1	84%	0.838	77%	0.772	S	S	*	*			cis	-167.5	179.4	-18.9	-108.9	-38.8	0	0	0	111.2
261	P	41.9	Very low	36.5	Very low	102 Å²	102	137.1 Å²	137.1	66%	0.662	77%	0.77	S	S	*	*			trans	-137.3	-136.1	-142.5	45.3	-22.3	0	0	0	115.2
262	Q	36	Very low	36.4	Very low	174 Å²	174	137.4 Å²	137.4	81%	0.813	77%	0.766	S	S	*	*			trans	89.5	146	175.5	-54	-176.7	-43.7	0	0	114.7
263	L	36	Very low	36.1	Very low	155 Å²	155	143.2 Å²	143.2	81%	0.812	77%	0.771	S	S	*	*			cis	-144.1	177.4	18.9	-84.8	92.8	0	0	0	109.1
264	S	35.5	Very low	36.1	Very low	93 Å²	93	138.8 Å²	138.8	65%	0.65	77%	0.77	S	S	*	*			cis	170	136.3	-31.9	64.5	0	0	0	0	107.8
265	S	35.8	Very low	35.8	Very low	123 Å²	123	139.4 Å²	139.4	86%	0.86	78%	0.778	S	S	*	*			trans	163.3	137.4	137.2	50.6	0	0	0	0	112.5
266	E	31.7	Very low	35.3	Very low	182 Å²	182	138.9 Å²	138.9	85%	0.85	78%	0.779	S	S	*	*			trans	-103.3	160.8	-173.9	-60.4	145.5	133.7	0	0	111.7
267	N	35.3	Very low	35	Very low	168 Å²	168	137.4 Å²	137.4	90%	0.898	78%	0.781	S	S	*	*			trans	-167.5	123.5	135	-110.4	-11.1	0	0	0	111.5
268	D	34.5	Very low	34.7	Very low	173 Å²	173	141 Å²	141	93%	0.925	80%	0.795	S	S	*	*			trans	-84.3	157.9	172.4	-80.9	-50.7	0	0	0	112.3
269	G	35.6	Very low	34.4	Very low	76 Å²	76	140 Å²	140	78%	0.784	80%	0.798	S	S	*	*			trans	-168.2	95.3	174.5	0	0	0	0	0	112.7
270	D	32.9	Very low	34.3	Very low	174 Å²	174	143.9 Å²	143.9	93%	0.93	81%	0.806	S	S	*	*			trans	-64.3	131.2	178.6	-110	-36.9	0	0	0	113.5
271	S	35.6	Very low	34.1	Very low	104 Å²	104	142.7 Å²	142.7	73%	0.727	80%	0.801	S	S	*	*			trans	-166.6	112.7	146.1	62.6	0	0	0	0	114.6
272	V	34	Very low	34.3	Very low	135 Å²	135	141.6 Å²	141.6	82%	0.818	79%	0.79	S	S	*	*			trans	59.7	117.7	142.8	-169.8	0	0	0	0	119.4
273	K	28.7	Very low	34.5	Very low	193 Å²	193	137.5 Å²	137.5	84%	0.839	78%	0.781	S	S	*	*			trans	-78.8	137.5	159.8	-66.7	-179.6	176.3	-177.2	0	111.3
274	P	32.2	Very low	34.8	Very low	126 Å²	126	134.8 Å²	134.8	82%	0.818	77%	0.767	S	S	*	*			trans	-78.9	143.6	148.8	-2.3	21.4	0	0	0	110.1
275	D	32.5	Very low	35.3	Very low	155 Å²	155	135.6 Å²	135.6	83%	0.829	76%	0.764	S	S	*	*			trans	-97.7	179	173.5	-161.9	-1.2	0	0	0	109.9
276	S	29.2	Very low	35.8	Very low	91 Å²	91	133.6 Å²	133.6	64%	0.636	74%	0.743	S	S	*	*			trans	64.3	102.1	163.5	51.5	0	0	0	0	118.9
277	T	31.2	Very low	36.8	Very low	130 Å²	130	130.2 Å²	130.2	80%	0.798	73%	0.725	S	S	*	*				29.6	105	124.1	55.7	0	0	0	0	119.2
278	E	31.5	Very low	37.7	Very low	188 Å²	188	124.7 Å²	124.7	88%	0.879	70%	0.703	S	S	*	*			trans	-170.8	12.5	149.3	-112.1	160.7	-144.7	0	0	115.1
279	V	35.1	Very low	38.8	Very low	126 Å²	126	119.5 Å²	119.5	76%	0.764	67%	0.673	S	S	*	*			trans	-124.9	34.1	-166.5	-155.7	0	0	0	0	114.1
280	E	35.1	Very low	39.9	Very low	172 Å²	172	118.5 Å²	118.5	80%	0.804	65%	0.65	S	S	*	*	S	Bend	trans	-100.9	-14.6	173.4	-69.7	-169	155.1	0	0	113.6
281	E	35.1	Very low	41.2	Very low	157 Å²	157	114.7 Å²	114.7	73%	0.734	63%	0.626	S	S	*	*	H	α-helix	trans	-71	-42.6	-169.1	-58.9	-166.7	151.7	0	0	113.5	S283 D284 D285	E281-S283 PolarHBondContact O-N 2.98Å; E281-D284 PolarHBondContact O-N 2.98Å; E281-D285 PolarHBondContact O-N 3.12Å
282	D	46.7	Very low	42.5	Very low	79 Å²	79	117.2 Å²	117.2	42%	0.422	62%	0.62	S	S	.	*	H	α-helix	trans	-69.3	-27.9	-173.1	-66.8	-77.5	0	0	0	115.2	D285 I286	D282-D285 PolarHBondContact O-N 2.97Å; D282-I286 WeakPolarHBondContact O-CG1 3.36Å; D282-I286 PolarHBondContact O-N 3.17Å
283	S	40	Very low	43.6	Very low	88 Å²	88	111.4 Å²	111.4	62%	0.615	58%	0.584	S	S	*	*	H	α-helix	trans	-67	-40.2	174.8	173.4	0	0	0	0	111.3	E281 K287	E281-S283 PolarHBondContact O-N 2.98Å; S283-K287 VanDerWaalsContact O-CB 3.25Å; S283-K287 WeakPolarHBondContact O-CB 3.17Å; S283-K287 PolarHBondContact O-N 2.73Å
284	D	42.1	Very low	45.1	Very low	97 Å²	97	104.1 Å²	104.1	52%	0.519	55%	0.554	S	S	.	*	H	α-helix	trans	-76.1	-29.6	176.7	-88	-16.7	0	0	0	111.5	E281 K287 A288	E281-D284 PolarHBondContact O-N 2.98Å; D284-K287 PolarHBondContact O-N 3.36Å; D284-K287 IonicContact OD1-NZ 3.01Å; D284-A288 WeakPolarHBondContact O-CB 3.42Å; D284-A288 PolarHBondContact O-N 3Å
285	D	46	Very low	46.3	Very low	111 Å²	111	102.8 Å²	102.8	59%	0.594	53%	0.533	S	S	*	.	H	α-helix	trans	-67.9	-44.9	173.1	-107.7	12.8	0	0	0	112.9	E281 D282 K287 A288 E289	E281-D285 PolarHBondContact O-N 3.12Å; D282-D285 PolarHBondContact O-N 2.97Å; D285-K287 VanDerWaalsContact C-N 3.25Å; D285-K287 PolarHBondContact O-N 3.39Å; D285-A288 PolarHBondContact O-N 3.42Å; D285-E289 WeakPolarHBondContact O-CB 3.48Å; D285-E289 PolarHBondContact O-N 3.24Å
286	I	46.7	Very low	47.5	Very low	80 Å²	80	97.7 Å²	97.7	41%	0.41	51%	0.506	S	S	.	.	H	α-helix	trans	-62.4	-36.1	173.5	-69.2	170.4	0	0	0	110.9	D282 N290	D282-I286 WeakPolarHBondContact O-CG1 3.36Å; D282-I286 PolarHBondContact O-N 3.17Å; I286-N290 WeakPolarHBondContact O-CB 3.3Å; I286-N290 PolarHBondContact O-N 3.25Å; I286-N290 PolarHBondContact O-ND2 2.94Å
287	K	53.7	Low	48.6	Very low	112 Å²	112	94.2 Å²	94.2	49%	0.487	48%	0.479	S	S	.	.	H	α-helix	trans	-73.1	-42.5	178.8	-173.9	-179.8	170.6	-163.7	0	111.6	S283 D284 D285 N290 E291	S283-K287 VanDerWaalsContact O-CB 3.25Å; S283-K287 WeakPolarHBondContact O-CB 3.17Å; S283-K287 PolarHBondContact O-N 2.73Å; D284-K287 PolarHBondContact O-N 3.36Å; D284-K287 IonicContact OD1-NZ 3.01Å; D285-K287 VanDerWaalsContact C-N 3.25Å; D285-K287 PolarHBondContact O-N 3.39Å; K287-N290 PolarHBondContact O-N 3.32Å; K287-E291 WeakPolarHBondContact O-CG 3.37Å; K287-E291 PolarHBondContact O-N 2.7Å
288	A	53.9	Low	49.7	Very low	51 Å²	51	90.7 Å²	90.7	42%	0.421	45%	0.451	S	S	.	.	H	α-helix	trans	-66.3	-37.5	173.8	0	0	0	0	0	112	D284 D285 E291 R292	D284-A288 WeakPolarHBondContact O-CB 3.42Å; D284-A288 PolarHBondContact O-N 3Å; D285-A288 PolarHBondContact O-N 3.42Å; A288-E291 PolarHBondContact O-N 2.9Å; A288-R292 VanDerWaalsContact O-CB 3.23Å; A288-R292 WeakPolarHBondContact O-CB 3.11Å; A288-R292 PolarHBondContact O-N 3.36Å
289	E	56.4	Low	50.5	Low	65 Å²	65	83 Å²	83	30%	0.304	42%	0.415	S	S	.	.	H	α-helix	trans	-64.1	-47.4	170.7	-175.4	161.1	-146.9	0	0	110.1	D285 E291 R292 L293 R964	D285-E289 WeakPolarHBondContact O-CB 3.48Å; D285-E289 PolarHBondContact O-N 3.24Å; E289-E291 PolarHBondContact O-N 3.32Å; E289-R292 CarbonylContact O-C 3.56Å; E289-R292 WeakPolarHBondContact O-CB 3.48Å; E289-R292 PolarHBondContact O-N 2.85Å; E289-R292 VanDerWaalsContact O-N 3.12Å; E289-L293 HydrophobicContact CG-CD1 3.9Å; E289-L293 HydrophobicContact CG-CG 4.15Å; E289-L293 WeakPolarHBondContact O-CB 3.47Å; E289-L293 WeakPolarHBondContact O-CG 3.3Å; E289-L293 PolarHBondContact O-N 3.47Å; E289-R964 IonicContact OE1-NH1 2.72Å; E289-R964 IonicContact OE2-NH1 3.17Å
290	N	60.3	Low	51.1	Low	55 Å²	55	78.3 Å²	78.3	29%	0.294	39%	0.385	S	S	.	.	H	α-helix	trans	-59.2	-43	174	-81.8	-60.8	0	0	0	112.8	I286 K287 R292 L293 D294	I286-N290 WeakPolarHBondContact O-CB 3.3Å; I286-N290 PolarHBondContact O-N 3.25Å; I286-N290 PolarHBondContact O-ND2 2.94Å; K287-N290 PolarHBondContact O-N 3.32Å; N290-R292 VanDerWaalsContact C-N 3.3Å; N290-R292 PolarHBondContact O-N 3.37Å; N290-L293 PolarHBondContact O-N 2.8Å; N290-D294 VanDerWaalsContact O-CB 3.26Å; N290-D294 WeakPolarHBondContact O-CB 3.35Å; N290-D294 PolarHBondContact O-N 2.93Å
291	E	59.9	Low	51.5	Low	94 Å²	94	74.1 Å²	74.1	44%	0.439	37%	0.368	S	S	.	.	H	α-helix	trans	-64	-34.3	175	-76.5	-174.2	-163.9	0	0	112.5	K287 A288 E289 R295	K287-E291 WeakPolarHBondContact O-CG 3.37Å; K287-E291 PolarHBondContact O-N 2.7Å; A288-E291 PolarHBondContact O-N 2.9Å; E289-E291 PolarHBondContact O-N 3.32Å; E291-R295 VanDerWaalsContact O-CG 3.3Å; E291-R295 WeakPolarHBondContact O-CG 3.3Å; E291-R295 PolarHBondContact O-N 3.05Å
292	R	62.2	Low	51.7	Low	156 Å²	156	70.5 Å²	70.5	59%	0.589	35%	0.354	S	S	*	.	H	α-helix	trans	-73	-38.6	174.5	-174.7	-178.6	-177.9	-170	1.4	112.1	A288 E289 N290 D294 R295 N296	A288-R292 VanDerWaalsContact O-CB 3.23Å; A288-R292 WeakPolarHBondContact O-CB 3.11Å; A288-R292 PolarHBondContact O-N 3.36Å; E289-R292 CarbonylContact O-C 3.56Å; E289-R292 WeakPolarHBondContact O-CB 3.48Å; E289-R292 PolarHBondContact O-N 2.85Å; E289-R292 VanDerWaalsContact O-N 3.12Å; N290-R292 VanDerWaalsContact C-N 3.3Å; N290-R292 PolarHBondContact O-N 3.37Å; R292-D294 VanDerWaalsContact C-N 3.32Å; R292-R295 WeakPolarHBondContact O-CB 3.49Å; R292-R295 PolarHBondContact O-N 3.01Å; R292-N296 PolarHBondContact O-N 3.08Å; R292-N296 PolarHBondContact O-ND2 3.39Å; R292-N296 PolarHBondContact O-OD1 2.95Å
293	L	57.4	Low	51.4	Low	14 Å²	14	68.5 Å²	68.5	7%	0.073	35%	0.352	C	S	.	.	H	α-helix	trans	-69.2	-33.8	173.9	-67.1	174.7	0	0	0	111.6	E289 N290 N296 W297 Y959 H1008	E289-L293 HydrophobicContact CG-CD1 3.9Å; E289-L293 HydrophobicContact CG-CG 4.15Å; E289-L293 WeakPolarHBondContact O-CB 3.47Å; E289-L293 WeakPolarHBondContact O-CG 3.3Å; E289-L293 PolarHBondContact O-N 3.47Å; N290-L293 PolarHBondContact O-N 2.8Å; L293-N296 PolarHBondContact O-N 3.17Å; L293-W297 WeakPolarHBondContact O-CB 3.39Å; L293-W297 PolarHBondContact O-N 2.75Å; L293-Y959 HydrophobicContact CD1-CE1 3.72Å; L293-Y959 HydrophobicContact CD1-CE2 3.89Å; L293-Y959 VanDerWaalsContact CD1-OH 3.31Å; L293-Y959 WeakPolarHBondContact CD1-OH 3.38Å; L293-Y959 HydrophobicContact CD2-CD1 3.98Å; L293-Y959 HydrophobicContact CD2-CD2 3.29Å; L293-Y959 HydrophobicContact CD2-CE1 3.91Å; L293-Y959 HydrophobicContact CD2-CE2 3.22Å; L293-Y959 HydrophobicContact CD2-CG 3.69Å; L293-Y959 HydrophobicContact CG-CE1 4.39Å; L293-Y959 HydrophobicContact CG-CE2 4.18Å; L293-H1008 PolarHBondContact O-CE1 2.95Å; L293-H1008 PolarHBondContact O-ND1 2.87Å
294	D	60.1	Low	51.4	Low	40 Å²	40	67 Å²	67	21%	0.214	33%	0.333	C	S	.	.	H	α-helix	trans	-63.5	-46.5	171	-81	-10.8	0	0	0	110.9	N290 R292 N296 W297 Y298 K1010	N290-D294 VanDerWaalsContact O-CB 3.26Å; N290-D294 WeakPolarHBondContact O-CB 3.35Å; N290-D294 PolarHBondContact O-N 2.93Å; R292-D294 VanDerWaalsContact C-N 3.32Å; D294-N296 PolarHBondContact O-N 3.43Å; D294-W297 PolarHBondContact O-N 3.07Å; D294-Y298 WeakPolarHBondContact O-CD2 3.33Å; D294-Y298 PolarHBondContact O-N 3.19Å; D294-K1010 HydrophobicContact CB-CD 4.34Å; D294-K1010 WeakPolarHBondContact OD1-CD 3.34Å; D294-K1010 WeakPolarHBondContact OD1-CE 3.31Å; D294-K1010 WeakPolarHBondContact OD1-CG 3.26Å; D294-K1010 IonicContact OD1-NZ 3.55Å; D294-K1010 PolarHBondContact OD1-NZ 2.99Å; D294-K1010 WeakPolarHBondContact OD2-CE 3.49Å; D294-K1010 IonicContact OD2-NZ 3.02Å; D294-K1010 PolarHBondContact OD2-NZ 3.16Å
295	R	57.2	Low	51.6	Low	97 Å²	97	63.7 Å²	63.7	37%	0.366	32%	0.315	S	S	.	.	H	α-helix	trans	-54.2	-51.2	170.8	-71.1	165.5	-159.7	-146.9	7.3	111.4	E291 R292 W297 Y298 Q299 P757 L760	E291-R295 VanDerWaalsContact O-CG 3.3Å; E291-R295 WeakPolarHBondContact O-CG 3.3Å; E291-R295 PolarHBondContact O-N 3.05Å; R292-R295 WeakPolarHBondContact O-CB 3.49Å; R292-R295 PolarHBondContact O-N 3.01Å; R295-W297 VanDerWaalsContact C-N 3.28Å; R295-W297 PolarHBondContact O-N 2.74Å; R295-Y298 PolarHBondContact O-N 3.31Å; R295-Q299 WeakPolarHBondContact O-CG 3.4Å; R295-Q299 PolarHBondContact O-N 2.94Å; R295-P757 HydrophobicContact CB-CG 4.1Å; R295-P757 HydrophobicContact CG-CG 3.51Å; R295-L760 HydrophobicContact CG-CD1 4.03Å
296	N	57.4	Low	51.4	Low	48 Å²	48	60.4 Å²	60.4	26%	0.257	30%	0.298	S	S	.	.	H	α-helix	trans	-65.3	-27.5	179.2	-62.9	-10.2	0	0	0	113.3	R292 L293 D294 Q299 M300	R292-N296 PolarHBondContact O-N 3.08Å; R292-N296 PolarHBondContact O-ND2 3.39Å; R292-N296 PolarHBondContact O-OD1 2.95Å; L293-N296 PolarHBondContact O-N 3.17Å; D294-N296 PolarHBondContact O-N 3.43Å; N296-Q299 WeakPolarHBondContact O-CB 3.23Å; N296-Q299 PolarHBondContact O-N 3.09Å; N296-M300 WeakPolarHBondContact O-CE 3.38Å; N296-M300 WeakPolarHBondContact O-CG 3.38Å
297	W	53.3	Low	51.4	Low	19 Å²	19	58.7 Å²	58.7	7%	0.072	29%	0.289	C	S	.	.	H	α-helix	trans	-72.8	-42.5	-179.2	177.7	66	0	0	0	112	L293 D294 R295 Q299 M300 H1008 K1010 A1011 K1014	L293-W297 WeakPolarHBondContact O-CB 3.39Å; L293-W297 PolarHBondContact O-N 2.75Å; D294-W297 PolarHBondContact O-N 3.07Å; R295-W297 VanDerWaalsContact C-N 3.28Å; R295-W297 PolarHBondContact O-N 2.74Å; W297-Q299 PolarHBondContact O-N 2.99Å; W297-M300 WeakPolarHBondContact O-CB 3.47Å; W297-M300 PolarHBondContact O-N 3.04Å; W297-H1008 AromaticContact CD1-CD2 3.92Å; W297-H1008 AromaticContact CD1-CG 3.81Å; W297-H1008 HydrophobicContact CG-CB 4.39Å; W297-K1010 HydrophobicContact CD2-CB 3.56Å; W297-K1010 HydrophobicContact CD2-CD 4.43Å; W297-K1010 HydrophobicContact CE3-CB 3.54Å; W297-K1010 HydrophobicContact CE3-CD 3.64Å; W297-K1010 HydrophobicContact CE3-CG 4.23Å; W297-K1010 HydrophobicContact CG-CB 4.1Å; W297-K1010 HydrophobicContact CH2-CB 4.03Å; W297-K1010 HydrophobicContact CZ2-CB 4.1Å; W297-K1010 HydrophobicContact CZ3-CB 3.78Å; W297-K1010 HydrophobicContact CZ3-CD 3.87Å; W297-K1010 HydrophobicContact CZ3-CG 4.39Å; W297-A1011 VanDerWaalsContact NE1-CA 3.34Å; W297-A1011 VanDerWaalsContact NE1-CB 3.29Å; W297-K1014 HydrophobicContact CH2-CB 4.3Å; W297-K1014 HydrophobicContact CH2-CD 3.73Å; W297-K1014 HydrophobicContact CZ2-CB 4.02Å; W297-K1014 HydrophobicContact CZ2-CD 3.54Å; W297-K1014 HydrophobicContact CZ2-CG 4.43Å
298	Y	52.4	Low	51	Low	56 Å²	56	54.1 Å²	54.1	22%	0.22	27%	0.27	C	S	.	.	H	α-helix	trans	-65.2	-25.5	174.1	-65.4	-75.1	0	0	0	111.6	D294 R295 M300 D301 Q755 P757 K1010	D294-Y298 WeakPolarHBondContact O-CD2 3.33Å; D294-Y298 PolarHBondContact O-N 3.19Å; R295-Y298 PolarHBondContact O-N 3.31Å; Y298-M300 PolarHBondContact O-N 2.76Å; Y298-D301 PolarHBondContact O-N 2.98Å; Y298-Q755 CarbonylContact C-O 3.53Å; Y298-Q755 WeakPolarHBondContact CB-O 3.46Å; Y298-Q755 WeakPolarHBondContact O-CA 3.35Å; Y298-Q755 WeakPolarHBondContact O-CB 3.49Å; Y298-Q755 VanDerWaalsContact O-CG 3.27Å; Y298-Q755 WeakPolarHBondContact O-CG 3.4Å; Y298-P757 HydrophobicContact CD2-CB 3.98Å; Y298-P757 HydrophobicContact CD2-CG 3.79Å; Y298-P757 HydrophobicContact CE2-CB 3.92Å; Y298-P757 HydrophobicContact CE2-CG 4.15Å; Y298-K1010 HydrophobicContact CE2-CD 4.23Å; Y298-K1010 PolarHBondContact OH-NZ 3.32Å
299	Q	49.2	Very low	50.8	Low	27 Å²	27	52.4 Å²	52.4	13%	0.126	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-6.5	171	-67.5	171.2	-3.9	0	0	115.3	R295 N296 W297 N308 Q724 Y753 Q755	R295-Q299 WeakPolarHBondContact O-CG 3.4Å; R295-Q299 PolarHBondContact O-N 2.94Å; N296-Q299 WeakPolarHBondContact O-CB 3.23Å; N296-Q299 PolarHBondContact O-N 3.09Å; W297-Q299 PolarHBondContact O-N 2.99Å; Q299-N308 VanDerWaalsContact O-CB 3.29Å; Q299-N308 WeakPolarHBondContact O-CB 3.42Å; Q299-N308 PolarHBondContact O-ND2 3.02Å; Q299-Q724 VanDerWaalsContact CD-NE2 3.25Å; Q299-Y753 HydrophobicContact CG-CE2 4.43Å; Q299-Y753 PolarHBondContact NE2-OH 2.8Å; Q299-Y753 VanDerWaalsContact NE2-OH 3.1Å; Q299-Q755 HydrophobicContact CG-CB 4.34Å; Q299-Q755 VanDerWaalsContact O-CD 3.27Å; Q299-Q755 PolarHBondContact O-NE2 3.23Å; Q299-Q755 PolarHBondContact O-OE1 3.35Å
300	M	48.3	Very low	50.4	Low	27 Å²	27	50.4 Å²	50.4	13%	0.133	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-10.5	-176.5	-52.5	-78.7	153.5	0	0	114.3	N296 W297 Y298 N308 P310 P955	N296-M300 WeakPolarHBondContact O-CE 3.38Å; N296-M300 WeakPolarHBondContact O-CG 3.38Å; W297-M300 WeakPolarHBondContact O-CB 3.47Å; W297-M300 PolarHBondContact O-N 3.04Å; Y298-M300 PolarHBondContact O-N 2.76Å; M300-N308 WeakPolarHBondContact CE-O 3.43Å; M300-P310 HydrophobicContact CE-CG 3.68Å; M300-P310 HydrophobicContact SD-CG 4.08Å; M300-P955 HydrophobicContact CB-CB 3.23Å; M300-P955 HydrophobicContact CB-CG 4Å; M300-P955 HydrophobicContact CG-CB 4.37Å; M300-P955 WeakPolarHBondContact O-CB 3.42Å; M300-P955 WeakPolarHBondContact O-CG 3.49Å
301	D	43.4	Very low	49.9	Very low	83 Å²	83	47.9 Å²	47.9	44%	0.444	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-7.7	-164.8	-129.9	21.9	0	0	0	115.1	Y298 P955 K1014	Y298-D301 PolarHBondContact O-N 2.98Å; D301-P955 HydrophobicContact CB-CG 4.19Å; D301-P955 VanDerWaalsContact OD1-CD 3.29Å; D301-P955 WeakPolarHBondContact OD1-CD 3.23Å; D301-P955 WeakPolarHBondContact OD1-CG 3.39Å; D301-K1014 VanDerWaalsContact CG-NZ 3.3Å; D301-K1014 IonicContact OD1-NZ 3.42Å; D301-K1014 PolarHBondContact OD1-NZ 2.98Å; D301-K1014 IonicContact OD2-NZ 3.16Å; D301-K1014 PolarHBondContact OD2-NZ 3.34Å
302	D	38.5	Very low	49.3	Very low	82 Å²	82	44.5 Å²	44.5	44%	0.439	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	35.4	-179.4	-69.6	-54.7	0	0	0	114.2	S754 Q755 L814	D302-S754 WeakPolarHBondContact OD2-CB 3.42Å; D302-S754 PolarHBondContact OD2-OG 2.87Å; D302-Q755 HydrophobicContact CB-CG 4.39Å; D302-Q755 WeakPolarHBondContact OD2-CG 3.41Å; D302-L814 WeakPolarHBondContact O-CD1 3.24Å
303	G	40.6	Very low	48.7	Very low	36 Å²	36	38.8 Å²	38.8	37%	0.371	20%	0.2	S	C	.	.			trans	81.5	169.2	177.5	0	0	0	0	0	114.3	D305	G303-D305 VanDerWaalsContact C-N 3.27Å; G303-D305 PolarHBondContact O-N 3.41Å
304	Y	41.4	Very low	48.5	Very low	58 Å²	58	39.2 Å²	39.2	23%	0.227	20%	0.203	C	C	.	.			trans	-81.6	67.2	-169.3	-67.1	-82.3	0	0	0	113.4	H309 E1095 I1097 Q1105	Y304-H309 AromaticContact CD1-ND1 3.79Å; Y304-H309 AromaticContact CE1-CE1 3.97Å; Y304-H309 AromaticContact CE1-ND1 3.83Å; Y304-E1095 WeakPolarHBondContact CD2-OE2 3.4Å; Y304-E1095 WeakPolarHBondContact CE2-OE2 3.3Å; Y304-I1097 VanDerWaalsContact CB-CD1 3.49Å; Y304-I1097 HydrophobicContact CD1-CD1 3.85Å; Y304-I1097 HydrophobicContact CD2-CD1 3.71Å; Y304-I1097 HydrophobicContact CD2-CG1 4.16Å; Y304-I1097 HydrophobicContact CE2-CD1 4.39Å; Y304-I1097 HydrophobicContact CG-CD1 3.4Å; Y304-I1097 HydrophobicContact CG-CG1 4.06Å; Y304-I1097 WeakPolarHBondContact O-CG2 3.35Å; Y304-Q1105 VanDerWaalsContact CD1-OE1 3.32Å; Y304-Q1105 PolarHBondContact OH-NE2 2.82Å
305	D	46.2	Very low	48	Very low	27 Å²	27	39.7 Å²	39.7	14%	0.144	21%	0.208	C	C	.	.			trans	-68	142.5	166.4	-95.1	7.1	0	0	0	111.1	G303 D307 N308 H309 K801 L814	G303-D305 VanDerWaalsContact C-N 3.27Å; G303-D305 PolarHBondContact O-N 3.41Å; D305-D307 PolarHBondContact O-N 3.22Å; D305-N308 PolarHBondContact O-N 3.43Å; D305-H309 PolarHBondContact O-N 2.8Å; D305-K801 IonicContact OD2-NZ 3.47Å; D305-K801 PolarHBondContact OD2-NZ 2.75Å; D305-L814 VanDerWaalsContact OD1-CB 3.24Å; D305-L814 WeakPolarHBondContact OD1-CB 2.69Å; D305-L814 WeakPolarHBondContact OD1-CD1 3.49Å
306	N	41.5	Very low	48	Very low	41 Å²	41	43.5 Å²	43.5	22%	0.219	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-11.9	177.9	-166.3	66.1	0	0	0	113.6	S312 T1099	N306-S312 WeakPolarHBondContact O-CB 3.17Å; N306-S312 PolarHBondContact O-OG 2.93Å; N306-T1099 HydrophobicContact CB-CG2 3.79Å; N306-T1099 WeakPolarHBondContact OD1-CB 3.46Å; N306-T1099 WeakPolarHBondContact OD1-CG2 3.25Å
307	D	45.7	Very low	47.8	Very low	44 Å²	44	48.3 Å²	48.3	24%	0.235	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-21.5	-178.4	-46	-37.7	0	0	0	111.9	D305 R431 K801	D305-D307 PolarHBondContact O-N 3.22Å; D307-R431 IonicContact OD1-CZ 3.82Å; D307-R431 IonicContact OD1-NH1 3.47Å; D307-R431 IonicContact OD1-NH2 2.72Å; D307-R431 PolarHBondContact OD1-NH2 2.92Å; D307-K801 IonicContact OD2-NZ 3.29Å; D307-K801 PolarHBondContact OD2-NZ 3.38Å; D307-K801 VanDerWaalsContact OD2-NZ 3.15Å
308	N	46.5	Very low	48.2	Very low	17 Å²	17	49.7 Å²	49.7	9%	0.091	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-18.9	-165.3	-85.1	-22.8	0	0	0	115.3	Q299 M300 D305 Q724 Q755	Q299-N308 VanDerWaalsContact O-CB 3.29Å; Q299-N308 WeakPolarHBondContact O-CB 3.42Å; Q299-N308 PolarHBondContact O-ND2 3.02Å; M300-N308 WeakPolarHBondContact CE-O 3.43Å; D305-N308 PolarHBondContact O-N 3.43Å; N308-Q724 PolarHBondContact ND2-OE1 3.25Å; N308-Q724 PolarHBondContact OD1-OE1 2.91Å; N308-Q755 PolarHBondContact ND2-NE2 2.7Å; N308-Q755 PolarHBondContact ND2-OE1 2.99Å
309	H	48.8	Very low	48.5	Very low	14 Å²	14	48.1 Å²	48.1	7%	0.065	26%	0.255	C	S	.	.	S	Bend	trans	-68.2	133.9	173.3	-159.4	53.9	0	0	0	109.3	Y304 D305 F311 S312 H1076	Y304-H309 AromaticContact CD1-ND1 3.79Å; Y304-H309 AromaticContact CE1-CE1 3.97Å; Y304-H309 AromaticContact CE1-ND1 3.83Å; D305-H309 PolarHBondContact O-N 2.8Å; H309-F311 PolarHBondContact O-N 2.82Å; H309-S312 PolarHBondContact O-N 3.29Å; H309-S312 PolarHBondContact O-OG 2.79Å; H309-H1076 AromaticContact CD2-CE1 3.24Å; H309-H1076 PolarHBondContact CD2-CE1 3.41Å; H309-H1076 AromaticContact CD2-NE2 3.61Å; H309-H1076 AromaticContact NE2-CE1 3.3Å; H309-H1076 PolarHBondContact NE2-CE1 3.02Å; H309-H1076 VanDerWaalsContact NE2-CE1 3.3Å; H309-H1076 AromaticContact NE2-ND1 3.72Å
310	P	48.4	Very low	49.2	Very low	23 Å²	23	48.5 Å²	48.5	15%	0.149	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-3	179.7	-11.6	22	0	0	0	113.8	M300 R960	M300-P310 HydrophobicContact CE-CG 3.68Å; M300-P310 HydrophobicContact SD-CG 4.08Å; P310-R960 HydrophobicContact CB-CB 3.93Å
311	F	50.1	Low	49.9	Very low	3 Å²	3	52.1 Å²	52.1	1%	0.013	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-138.8	5.9	-167.9	-51.7	-84.4	0	0	0	113	H309 I314 F958 R960 R972 T1078	H309-F311 PolarHBondContact O-N 2.82Å; F311-I314 HydrophobicContact CB-CD1 3.97Å; F311-I314 HydrophobicContact CB-CG1 4.37Å; F311-I314 VanDerWaalsContact O-CD1 3.22Å; F311-I314 WeakPolarHBondContact O-CD1 3.4Å; F311-I314 WeakPolarHBondContact O-CG1 3.44Å; F311-F958 HydrophobicContact CE2-CB 4.12Å; F311-F958 HydrophobicContact CZ-CB 4.05Å; F311-R960 HydrophobicContact CD1-CB 4.46Å; F311-R960 HydrophobicContact CE1-CB 3.95Å; F311-R960 HydrophobicContact CE1-CG 4.03Å; F311-R960 HydrophobicContact CZ-CB 4.15Å; F311-R972 VanDerWaalsContact CE1-CZ 3.49Å; F311-T1078 HydrophobicContact CB-CG2 3.14Å; F311-T1078 HydrophobicContact CD1-CG2 3.69Å; F311-T1078 HydrophobicContact CD2-CG2 3.28Å; F311-T1078 HydrophobicContact CE1-CG2 4.35Å; F311-T1078 HydrophobicContact CE2-CG2 4Å; F311-T1078 HydrophobicContact CG-CG2 3.11Å; F311-T1078 HydrophobicContact CZ-CG2 4.49Å
312	S	46.9	Very low	50.9	Low	23 Å²	23	50 Å²	50	16%	0.161	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-37.3	164	49.7	0	0	0	0	110.3	N306 H309 I314	N306-S312 WeakPolarHBondContact O-CB 3.17Å; N306-S312 PolarHBondContact O-OG 2.93Å; H309-S312 PolarHBondContact O-N 3.29Å; H309-S312 PolarHBondContact O-OG 2.79Å; S312-I314 PolarHBondContact O-N 2.8Å
313	D	50.5	Low	52	Low	35 Å²	35	51.9 Å²	51.9	19%	0.187	27%	0.27	C	S	.	.	S	Bend	trans	-65.5	29.4	167.3	-93.5	-4.2	0	0	0	113.5	P315 R438 K962	D313-P315 VanDerWaalsContact O-CD 3.24Å; D313-P315 WeakPolarHBondContact O-CD 3.44Å; D313-R438 VanDerWaalsContact CG-NH1 3.27Å; D313-R438 IonicContact OD1-NH1 2.69Å; D313-R438 IonicContact OD2-CZ 3.08Å; D313-R438 IonicContact OD2-NH1 2.63Å; D313-R438 PolarHBondContact OD2-NH1 2.96Å; D313-R438 IonicContact OD2-NH2 3.2Å; D313-R438 PolarHBondContact OD2-NH2 3.38Å; D313-K962 VanDerWaalsContact OD2-CE 3.24Å; D313-K962 WeakPolarHBondContact OD2-CE 3.47Å; D313-K962 IonicContact OD2-NZ 3.32Å; D313-K962 PolarHBondContact OD2-NZ 3.04Å
314	I	52.1	Low	53.1	Low	24 Å²	24	58.8 Å²	58.8	12%	0.123	29%	0.285	C	S	.	.			trans	-76.6	114.6	170.1	-76.3	173.5	0	0	0	107.5	F311 S312 E316 Y318 A319 P1077	F311-I314 HydrophobicContact CB-CD1 3.97Å; F311-I314 HydrophobicContact CB-CG1 4.37Å; F311-I314 VanDerWaalsContact O-CD1 3.22Å; F311-I314 WeakPolarHBondContact O-CD1 3.4Å; F311-I314 WeakPolarHBondContact O-CG1 3.44Å; S312-I314 PolarHBondContact O-N 2.8Å; I314-E316 PolarHBondContact O-N 2.85Å; I314-Y318 HydrophobicContact CG2-CD1 3.67Å; I314-Y318 HydrophobicContact CG2-CG 4.28Å; I314-A319 HydrophobicContact CG2-CB 4.29Å; I314-P1077 HydrophobicContact CD1-CB 3.65Å; I314-P1077 HydrophobicContact CD1-CG 4.24Å
315	P	50.8	Low	54.1	Low	50 Å²	50	60.6 Å²	60.6	33%	0.325	30%	0.296	S	S	.	.			trans	-56.3	140	179.1	-23.2	33.3	0	0	0	109.6	D313 E317 Y318 A319	D313-P315 VanDerWaalsContact O-CD 3.24Å; D313-P315 WeakPolarHBondContact O-CD 3.44Å; P315-E317 HydrophobicContact CB-CB 4.43Å; P315-E317 PolarHBondContact O-N 3Å; P315-E317 VanDerWaalsContact O-N 3.07Å; P315-Y318 WeakPolarHBondContact O-CA 3.29Å; P315-Y318 WeakPolarHBondContact O-CB 3.43Å; P315-Y318 PolarHBondContact O-N 3.28Å; P315-A319 PolarHBondContact O-N 3.21Å
316	E	55.4	Low	54.4	Low	177 Å²	177	61.1 Å²	61.1	83%	0.827	30%	0.298	S	S	*	.	H	α-helix	trans	-56.3	-28.5	173.5	-165.1	170.8	-142.4	0	0	110.4	I314 A319 A320	I314-E316 PolarHBondContact O-N 2.85Å; E316-A319 PolarHBondContact O-N 3.37Å; E316-A320 WeakPolarHBondContact O-CB 3.39Å; E316-A320 PolarHBondContact O-N 3.39Å
317	E	54.1	Low	55.3	Low	148 Å²	148	61.4 Å²	61.4	69%	0.692	31%	0.307	S	S	*	.	H	α-helix	trans	-67.8	-34.4	168.7	-170.9	174.5	-146.7	0	0	114.7	P315 K321	P315-E317 HydrophobicContact CB-CB 4.43Å; P315-E317 PolarHBondContact O-N 3Å; P315-E317 VanDerWaalsContact O-N 3.07Å; E317-K321 WeakPolarHBondContact O-CA 3.5Å; E317-K321 WeakPolarHBondContact O-CB 3.49Å; E317-K321 PolarHBondContact O-N 3.11Å
318	Y	61.3	Low	56.1	Low	48 Å²	48	63.8 Å²	63.8	19%	0.188	32%	0.316	C	S	.	.	H	α-helix	trans	-71.5	-41.8	171.4	178.7	-78.5	0	0	0	110.5	I314 P315 K321 K322 D969	I314-Y318 HydrophobicContact CG2-CD1 3.67Å; I314-Y318 HydrophobicContact CG2-CG 4.28Å; P315-Y318 WeakPolarHBondContact O-CA 3.29Å; P315-Y318 WeakPolarHBondContact O-CB 3.43Å; P315-Y318 PolarHBondContact O-N 3.28Å; Y318-K321 PolarHBondContact O-N 3.03Å; Y318-K322 HydrophobicContact CE1-CB 4.37Å; Y318-K322 HydrophobicContact CE1-CD 3.82Å; Y318-K322 VanDerWaalsContact O-CB 3.23Å; Y318-K322 WeakPolarHBondContact O-CB 3.28Å; Y318-K322 PolarHBondContact O-N 3.2Å; Y318-D969 PolarHBondContact OH-OD2 2.77Å
319	A	59.6	Low	56.5	Low	23 Å²	23	70.4 Å²	70.4	19%	0.19	34%	0.34	C	S	.	.	H	α-helix	trans	-59.4	-48.4	173.7	0	0	0	0	0	110.4	I314 P315 E316 K322 E323	I314-A319 HydrophobicContact CG2-CB 4.29Å; P315-A319 PolarHBondContact O-N 3.21Å; E316-A319 PolarHBondContact O-N 3.37Å; A319-K322 PolarHBondContact O-N 3.43Å; A319-E323 VanDerWaalsContact O-CB 3.26Å; A319-E323 WeakPolarHBondContact O-CB 3.47Å; A319-E323 PolarHBondContact O-N 3.03Å
320	A	62.8	Low	56.6	Low	35 Å²	35	73.5 Å²	73.5	29%	0.289	35%	0.353	S	S	.	.	H	α-helix	trans	-68.6	-31.1	175.8	0	0	0	0	0	113.5	E316 R324	E316-A320 WeakPolarHBondContact O-CB 3.39Å; E316-A320 PolarHBondContact O-N 3.39Å; A320-R324 WeakPolarHBondContact O-CB 3.46Å; A320-R324 WeakPolarHBondContact O-CG 3.45Å; A320-R324 PolarHBondContact O-N 3.27Å
321	K	64.5	Low	56.9	Low	104 Å²	104	79.9 Å²	79.9	45%	0.452	38%	0.379	S	S	.	.	H	α-helix	trans	-70.9	-41.4	173.1	-179.7	-178.2	177.9	-171.3	0	110.2	E317 Y318 Q325	E317-K321 WeakPolarHBondContact O-CA 3.5Å; E317-K321 WeakPolarHBondContact O-CB 3.49Å; E317-K321 PolarHBondContact O-N 3.11Å; Y318-K321 PolarHBondContact O-N 3.03Å; K321-Q325 VanDerWaalsContact O-CB 3.24Å; K321-Q325 WeakPolarHBondContact O-CB 3.07Å; K321-Q325 WeakPolarHBondContact O-CG 3.37Å; K321-Q325 PolarHBondContact O-N 2.87Å
322	K	62.9	Low	56.9	Low	39 Å²	39	88.2 Å²	88.2	17%	0.17	41%	0.41	C	S	.	.	H	α-helix	trans	-69.2	-38.1	174.8	-171.7	161.3	170.3	-178.7	0	110.8	Y318 A319 Q325 L326 Y1082	Y318-K322 HydrophobicContact CE1-CB 4.37Å; Y318-K322 HydrophobicContact CE1-CD 3.82Å; Y318-K322 VanDerWaalsContact O-CB 3.23Å; Y318-K322 WeakPolarHBondContact O-CB 3.28Å; Y318-K322 PolarHBondContact O-N 3.2Å; A319-K322 PolarHBondContact O-N 3.43Å; K322-Q325 CarbonylContact O-C 3.48Å; K322-Q325 PolarHBondContact O-N 3.17Å; K322-L326 VanDerWaalsContact O-CB 3.26Å; K322-L326 WeakPolarHBondContact O-CB 3.47Å; K322-L326 PolarHBondContact O-N 2.93Å; K322-Y1082 HydrophobicContact CD-CD1 4.09Å; K322-Y1082 HydrophobicContact CD-CE1 3.85Å; K322-Y1082 WeakPolarHBondContact CE-O 3.41Å; K322-Y1082 HydrophobicContact CG-CE1 4.22Å; K322-Y1082 PolarHBondContact NZ-O 3.33Å
323	E	61.3	Low	56.8	Low	120 Å²	120	92.2 Å²	92.2	56%	0.561	43%	0.426	S	S	*	.	H	α-helix	trans	-67.1	-44.3	172	-171.4	-175.4	-179.4	0	0	112.1	A319 L326 A327	A319-E323 VanDerWaalsContact O-CB 3.26Å; A319-E323 WeakPolarHBondContact O-CB 3.47Å; A319-E323 PolarHBondContact O-N 3.03Å; E323-L326 CarbonylContact O-C 3.59Å; E323-L326 WeakPolarHBondContact O-CA 3.26Å; E323-L326 WeakPolarHBondContact O-CB 3.49Å; E323-L326 PolarHBondContact O-N 3.43Å; E323-L326 VanDerWaalsContact O-N 3.09Å; E323-A327 WeakPolarHBondContact O-CB 3.37Å; E323-A327 PolarHBondContact O-N 3.44Å
324	R	64	Low	56.3	Low	181 Å²	181	99.1 Å²	99.1	68%	0.683	45%	0.454	S	S	*	.	H	α-helix	trans	-61.1	-43.5	171	-78.9	175.7	-176	179.4	4.5	111.2	A320 L326 A327 E328	A320-R324 WeakPolarHBondContact O-CB 3.46Å; A320-R324 WeakPolarHBondContact O-CG 3.45Å; A320-R324 PolarHBondContact O-N 3.27Å; R324-L326 VanDerWaalsContact C-N 3.27Å; R324-L326 PolarHBondContact O-N 3.01Å; R324-A327 CarbonylContact O-C 3.52Å; R324-A327 PolarHBondContact O-N 2.86Å; R324-E328 VanDerWaalsContact O-CB 3.27Å; R324-E328 WeakPolarHBondContact O-CB 3.45Å; R324-E328 WeakPolarHBondContact O-CG 3.21Å; R324-E328 PolarHBondContact O-N 2.92Å
325	Q	61.9	Low	55.8	Low	96 Å²	96	106 Å²	106	45%	0.449	49%	0.486	S	S	.	.	H	α-helix	trans	-63.7	-30.5	172.5	-78.1	176.7	4.1	0	0	112.1	K321 K322 R329	K321-Q325 VanDerWaalsContact O-CB 3.24Å; K321-Q325 WeakPolarHBondContact O-CB 3.07Å; K321-Q325 WeakPolarHBondContact O-CG 3.37Å; K321-Q325 PolarHBondContact O-N 2.87Å; K322-Q325 CarbonylContact O-C 3.48Å; K322-Q325 PolarHBondContact O-N 3.17Å; Q325-R329 WeakPolarHBondContact O-CA 3.37Å; Q325-R329 WeakPolarHBondContact O-CB 3.18Å; Q325-R329 WeakPolarHBondContact O-CG 3.4Å; Q325-R329 PolarHBondContact O-N 2.88Å
326	L	53.5	Low	55.5	Low	38 Å²	38	113 Å²	113	20%	0.199	51%	0.506	C	S	.	.	H	α-helix	trans	-75.1	-41.4	176	-158.8	157.4	0	0	0	110.5	K322 E323 R324 K330	K322-L326 VanDerWaalsContact O-CB 3.26Å; K322-L326 WeakPolarHBondContact O-CB 3.47Å; K322-L326 PolarHBondContact O-N 2.93Å; E323-L326 CarbonylContact O-C 3.59Å; E323-L326 WeakPolarHBondContact O-CA 3.26Å; E323-L326 WeakPolarHBondContact O-CB 3.49Å; E323-L326 PolarHBondContact O-N 3.43Å; E323-L326 VanDerWaalsContact O-N 3.09Å; R324-L326 VanDerWaalsContact C-N 3.27Å; R324-L326 PolarHBondContact O-N 3.01Å; L326-K330 HydrophobicContact CD2-CD 3.89Å; L326-K330 HydrophobicContact CD2-CG 4.32Å; L326-K330 VanDerWaalsContact O-CB 3.32Å; L326-K330 WeakPolarHBondContact O-CB 3.09Å; L326-K330 WeakPolarHBondContact O-CG 3.46Å; L326-K330 PolarHBondContact O-N 3.42Å
327	A	61.3	Low	54.9	Low	47 Å²	47	108.9 Å²	108.9	39%	0.388	49%	0.489	S	S	.	.	H	α-helix	trans	-64.8	-39.4	171.2	0	0	0	0	0	111.9	E323 R324 K331	E323-A327 WeakPolarHBondContact O-CB 3.37Å; E323-A327 PolarHBondContact O-N 3.44Å; R324-A327 CarbonylContact O-C 3.52Å; R324-A327 PolarHBondContact O-N 2.86Å; A327-K331 WeakPolarHBondContact O-CB 3.34Å; A327-K331 VanDerWaalsContact O-CG 3.26Å; A327-K331 WeakPolarHBondContact O-CG 3Å; A327-K331 PolarHBondContact O-N 3.43Å
328	E	60.8	Low	54.8	Low	94 Å²	94	106.1 Å²	106.1	44%	0.439	48%	0.483	S	S	.	.	H	α-helix	trans	-72.7	-41.1	174.6	-78	-171.9	-165.8	0	0	112.4	R324 K330 K331 R332	R324-E328 VanDerWaalsContact O-CB 3.27Å; R324-E328 WeakPolarHBondContact O-CB 3.45Å; R324-E328 WeakPolarHBondContact O-CG 3.21Å; R324-E328 PolarHBondContact O-N 2.92Å; E328-K330 VanDerWaalsContact C-N 3.34Å; E328-K331 CarbonylContact O-C 3.57Å; E328-K331 PolarHBondContact O-N 3.2Å; E328-K331 VanDerWaalsContact O-N 3.16Å; E328-R332 WeakPolarHBondContact O-CB 3.41Å; E328-R332 WeakPolarHBondContact O-CG 3.17Å; E328-R332 PolarHBondContact O-N 3.33Å; E328-R332 IonicContact OE2-NH2 3.36Å
329	R	54.6	Low	54.5	Low	156 Å²	156	107.8 Å²	107.8	59%	0.589	51%	0.506	S	S	*	.	H	α-helix	trans	-62.3	-42	171.5	-78	174.6	94.2	169	5.5	109.7	Q325 K331 R332 H333	Q325-R329 WeakPolarHBondContact O-CA 3.37Å; Q325-R329 WeakPolarHBondContact O-CB 3.18Å; Q325-R329 WeakPolarHBondContact O-CG 3.4Å; Q325-R329 PolarHBondContact O-N 2.88Å; R329-K331 PolarHBondContact O-N 2.75Å; R329-R332 PolarHBondContact O-N 3.1Å; R329-H333 WeakPolarHBondContact O-CB 3.24Å; R329-H333 PolarHBondContact O-N 3.36Å
330	K	51.3	Low	54.5	Low	80 Å²	80	112.6 Å²	112.6	35%	0.348	52%	0.523	S	S	.	.	H	α-helix	trans	-64.4	-34.1	172	-76.4	-174.3	175.9	-177.8	0	112.8	L326 E328 K334 G1085	L326-K330 HydrophobicContact CD2-CD 3.89Å; L326-K330 HydrophobicContact CD2-CG 4.32Å; L326-K330 VanDerWaalsContact O-CB 3.32Å; L326-K330 WeakPolarHBondContact O-CB 3.09Å; L326-K330 WeakPolarHBondContact O-CG 3.46Å; L326-K330 PolarHBondContact O-N 3.42Å; E328-K330 VanDerWaalsContact C-N 3.34Å; K330-K334 PolarHBondContact O-N 3.42Å; K330-G1085 WeakPolarHBondContact CE-O 3.32Å; K330-G1085 PolarHBondContact NZ-O 3.49Å
331	K	55.1	Low	54.1	Low	157 Å²	157	112.7 Å²	112.7	68%	0.683	52%	0.524	S	S	*	.	H	α-helix	trans	-71	-37.5	171.7	-76.8	170.3	179.2	178.9	0	113.3	A327 E328 R329	A327-K331 WeakPolarHBondContact O-CB 3.34Å; A327-K331 VanDerWaalsContact O-CG 3.26Å; A327-K331 WeakPolarHBondContact O-CG 3Å; A327-K331 PolarHBondContact O-N 3.43Å; E328-K331 CarbonylContact O-C 3.57Å; E328-K331 PolarHBondContact O-N 3.2Å; E328-K331 VanDerWaalsContact O-N 3.16Å; R329-K331 PolarHBondContact O-N 2.75Å
332	R	49.7	Very low	54.2	Low	177 Å²	177	111 Å²	111	67%	0.668	52%	0.522	S	S	*	.	H	α-helix	trans	-78.9	-36.9	179.6	-70.4	179.6	-174.1	-158.4	4.9	112.3	E328 R329 K334 Q335	E328-R332 WeakPolarHBondContact O-CB 3.41Å; E328-R332 WeakPolarHBondContact O-CG 3.17Å; E328-R332 PolarHBondContact O-N 3.33Å; E328-R332 IonicContact OE2-NH2 3.36Å; R329-R332 PolarHBondContact O-N 3.1Å; R332-K334 PolarHBondContact O-N 2.94Å; R332-Q335 WeakPolarHBondContact O-CB 3.37Å; R332-Q335 PolarHBondContact O-N 3.06Å
333	H	45.2	Very low	54.6	Low	107 Å²	107	112.3 Å²	112.3	50%	0.495	53%	0.528	S	S	.	.	H	α-helix	trans	-70.1	-14.6	173.1	-107.7	-75.3	0	0	0	113.7	R329 Q335 R336	R329-H333 WeakPolarHBondContact O-CB 3.24Å; R329-H333 PolarHBondContact O-N 3.36Å; H333-Q335 PolarHBondContact O-N 3.49Å; H333-Q335 VanDerWaalsContact O-N 3.12Å; H333-R336 PolarHBondContact ND1-O 2.92Å; H333-R336 CarbonylContact O-C 3.54Å; H333-R336 PolarHBondContact O-N 3.18Å; H333-R336 VanDerWaalsContact O-N 3.11Å
334	K	40	Very low	55.1	Low	181 Å²	181	109.8 Å²	109.8	79%	0.787	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-11.1	163.5	-80.4	-175.5	173.1	-167.7	0	113.6	K330 R332	K330-K334 PolarHBondContact O-N 3.42Å; R332-K334 PolarHBondContact O-N 2.94Å
335	Q	41.4	Very low	55.4	Low	169 Å²	169	105.8 Å²	105.8	79%	0.79	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	-3.8	173.3	-67.4	-179.1	-25.7	0	0	114.4	R332 H333	R332-Q335 WeakPolarHBondContact O-CB 3.37Å; R332-Q335 PolarHBondContact O-N 3.06Å; H333-Q335 PolarHBondContact O-N 3.49Å; H333-Q335 VanDerWaalsContact O-N 3.12Å
336	R	44.2	Very low	56	Low	196 Å²	196	107.2 Å²	107.2	74%	0.74	52%	0.515	S	S	*	.	S	Bend	trans	-126.7	89.5	167.7	-67.9	-173.3	77.6	-175.7	4.7	107.6	H333 T338	H333-R336 PolarHBondContact ND1-O 2.92Å; H333-R336 CarbonylContact O-C 3.54Å; H333-R336 PolarHBondContact O-N 3.18Å; H333-R336 VanDerWaalsContact O-N 3.11Å; R336-T338 PolarHBondContact O-N 3.44Å
337	L	44.1	Very low	56.9	Low	91 Å²	91	107.3 Å²	107.3	48%	0.476	52%	0.515	S	S	.	.			trans	-54	115.6	-179.4	-67.3	101.5	0	0	0	109.4	A341 V342 H345	L337-A341 HydrophobicContact CB-CB 4Å; L337-A341 HydrophobicContact CD2-CB 4.18Å; L337-A341 WeakPolarHBondContact CD2-O 3.12Å; L337-A341 HydrophobicContact CG-CB 4.38Å; L337-V342 HydrophobicContact CB-CG2 3.56Å; L337-H345 HydrophobicContact CD2-CB 4.07Å
338	T	50.8	Low	57.5	Low	90 Å²	90	109.5 Å²	109.5	55%	0.552	52%	0.521	S	S	*	.			trans	-53.9	154.8	165.6	-31.1	0	0	0	0	109.2	R336 K340 A341 V342	R336-T338 PolarHBondContact O-N 3.44Å; T338-K340 PolarHBondContact O-N 2.86Å; T338-K340 VanDerWaalsContact O-N 3.09Å; T338-A341 CarbonylContact O-C 3.4Å; T338-A341 WeakPolarHBondContact O-CA 3.22Å; T338-A341 WeakPolarHBondContact O-CB 3.05Å; T338-A341 PolarHBondContact O-N 2.62Å; T338-V342 PolarHBondContact O-N 3.38Å
339	A	56	Low	58.2	Low	83 Å²	83	110.2 Å²	110.2	69%	0.686	52%	0.524	S	S	*	.	H	α-helix	trans	-48.9	-42.2	176.1	0	0	0	0	0	112.5	A341 V342 Q343	A339-A341 PolarHBondContact O-N 3.18Å; A339-V342 WeakPolarHBondContact O-CB 3.35Å; A339-V342 PolarHBondContact O-N 3.06Å; A339-Q343 PolarHBondContact O-N 2.8Å
340	K	58.3	Low	59.1	Low	124 Å²	124	105.1 Å²	105.1	54%	0.539	52%	0.515	S	S	.	.	H	α-helix	trans	-66.1	-29.8	173.5	-168.5	157.8	-174.9	127.1	0	114.9	T338 V344 E376	T338-K340 PolarHBondContact O-N 2.86Å; T338-K340 VanDerWaalsContact O-N 3.09Å; K340-V344 WeakPolarHBondContact O-CG2 3.34Å; K340-V344 PolarHBondContact O-N 2.86Å; K340-E376 WeakPolarHBondContact CE-OE1 3.28Å; K340-E376 VanDerWaalsContact CE-OE2 3.23Å; K340-E376 WeakPolarHBondContact CE-OE2 3.32Å; K340-E376 IonicContact NZ-OE1 2.66Å; K340-E376 PolarHBondContact NZ-OE1 2.95Å; K340-E376 IonicContact NZ-OE2 3.15Å; K340-E376 PolarHBondContact NZ-OE2 2.6Å
341	A	56.2	Low	60.1	Low	37 Å²	37	108 Å²	108	31%	0.306	52%	0.524	S	S	.	.	H	α-helix	trans	-78.2	-30.4	172.8	0	0	0	0	0	112.3	L337 T338 A339 H345	L337-A341 HydrophobicContact CB-CB 4Å; L337-A341 HydrophobicContact CD2-CB 4.18Å; L337-A341 WeakPolarHBondContact CD2-O 3.12Å; L337-A341 HydrophobicContact CG-CB 4.38Å; T338-A341 CarbonylContact O-C 3.4Å; T338-A341 WeakPolarHBondContact O-CA 3.22Å; T338-A341 WeakPolarHBondContact O-CB 3.05Å; T338-A341 PolarHBondContact O-N 2.62Å; A339-A341 PolarHBondContact O-N 3.18Å; A341-H345 WeakPolarHBondContact O-CB 3.07Å; A341-H345 PolarHBondContact O-N 2.81Å
342	V	66.1	Low	60.8	Low	68 Å²	68	106 Å²	106	41%	0.412	52%	0.517	S	S	.	.	H	α-helix	trans	-65.7	-41	168.2	178.1	0	0	0	0	110	L337 T338 A339 H345 K346	L337-V342 HydrophobicContact CB-CG2 3.56Å; T338-V342 PolarHBondContact O-N 3.38Å; A339-V342 WeakPolarHBondContact O-CB 3.35Å; A339-V342 PolarHBondContact O-N 3.06Å; V342-H345 PolarHBondContact O-N 3.25Å; V342-K346 PolarHBondContact O-N 2.98Å
343	Q	71.9	Confident	61.7	Low	66 Å²	66	102 Å²	102	31%	0.308	51%	0.505	S	S	.	.	H	α-helix	trans	-58.6	-57.9	173.3	-159.2	75.2	-8.5	0	0	110.6	A339 H345 K346 D347	A339-Q343 PolarHBondContact O-N 2.8Å; Q343-H345 PolarHBondContact O-N 3.21Å; Q343-K346 CarbonylContact O-C 3.52Å; Q343-K346 WeakPolarHBondContact O-CA 3.26Å; Q343-K346 VanDerWaalsContact O-CB 3.28Å; Q343-K346 WeakPolarHBondContact O-CB 3.44Å; Q343-K346 PolarHBondContact O-N 2.98Å; Q343-D347 PolarHBondContact O-N 2.64Å
344	V	70.8	Confident	62.9	Low	67 Å²	67	101.4 Å²	101.4	41%	0.406	51%	0.506	S	S	.	.	H	α-helix	trans	-56.4	-30.2	176.1	170.5	0	0	0	0	113.2	K340 N348	K340-V344 WeakPolarHBondContact O-CG2 3.34Å; K340-V344 PolarHBondContact O-N 2.86Å; V344-N348 WeakPolarHBondContact O-CB 3.37Å; V344-N348 VanDerWaalsContact O-CG 3.31Å; V344-N348 PolarHBondContact O-N 2.94Å; V344-N348 PolarHBondContact O-ND2 2.99Å
345	H	69.3	Low	64.5	Low	97 Å²	97	100.4 Å²	100.4	45%	0.449	50%	0.497	S	S	.	.	H	α-helix	trans	-75	-38.5	173.7	-168.1	-71.9	0	0	0	112.5	L337 A341 V342 Q343 Q349	L337-H345 HydrophobicContact CD2-CB 4.07Å; A341-H345 WeakPolarHBondContact O-CB 3.07Å; A341-H345 PolarHBondContact O-N 2.81Å; V342-H345 PolarHBondContact O-N 3.25Å; Q343-H345 PolarHBondContact O-N 3.21Å; H345-Q349 PolarHBondContact CE1-NE2 3.36Å; H345-Q349 WeakPolarHBondContact O-CG 3.46Å; H345-Q349 PolarHBondContact O-N 2.64Å
346	K	74.5	Confident	65.8	Low	127 Å²	127	96.1 Å²	96.1	55%	0.552	48%	0.478	S	S	*	.	H	α-helix	trans	-61.2	-45.2	169.6	-99.8	-174	169.5	-170.9	0	111	V342 Q343 Q349 A350	V342-K346 PolarHBondContact O-N 2.98Å; Q343-K346 CarbonylContact O-C 3.52Å; Q343-K346 WeakPolarHBondContact O-CA 3.26Å; Q343-K346 VanDerWaalsContact O-CB 3.28Å; Q343-K346 WeakPolarHBondContact O-CB 3.44Å; Q343-K346 PolarHBondContact O-N 2.98Å; K346-Q349 CarbonylContact O-C 3.55Å; K346-Q349 WeakPolarHBondContact O-CB 3.49Å; K346-Q349 PolarHBondContact O-N 2.9Å; K346-Q349 VanDerWaalsContact O-N 3.14Å; K346-A350 WeakPolarHBondContact O-CB 3.5Å; K346-A350 PolarHBondContact O-N 2.8Å
347	D	74.4	Confident	66.8	Low	39 Å²	39	89.3 Å²	89.3	21%	0.209	46%	0.456	C	S	.	.	H	α-helix	trans	-67.7	-40.5	-177.3	-55.7	-17.2	0	0	0	110.9	Q343 Q349 A350 W351 F373	Q343-D347 PolarHBondContact O-N 2.64Å; D347-Q349 PolarHBondContact O-N 3.05Å; D347-A350 PolarHBondContact O-N 3.06Å; D347-W351 VanDerWaalsContact O-CB 3.24Å; D347-W351 WeakPolarHBondContact O-CB 3.46Å; D347-W351 PolarHBondContact O-N 3.07Å; D347-F373 VanDerWaalsContact OD1-CD1 3.26Å; D347-F373 WeakPolarHBondContact OD1-CD1 3.47Å; D347-F373 WeakPolarHBondContact OD1-CE1 3.44Å
348	N	73.9	Confident	67.8	Low	93 Å²	93	96 Å²	96	50%	0.497	48%	0.475	S	S	.	.	H	α-helix	trans	-61.1	-41.8	170.4	-80.3	-46.7	0	0	0	112.1	V344 W351 E352	V344-N348 WeakPolarHBondContact O-CB 3.37Å; V344-N348 VanDerWaalsContact O-CG 3.31Å; V344-N348 PolarHBondContact O-N 2.94Å; V344-N348 PolarHBondContact O-ND2 2.99Å; N348-W351 PolarHBondContact O-N 3.45Å; N348-E352 WeakPolarHBondContact O-CB 3.37Å; N348-E352 WeakPolarHBondContact O-CG 3.33Å; N348-E352 PolarHBondContact O-N 3.03Å
349	Q	74.6	Confident	68.5	Low	110 Å²	110	95.3 Å²	95.3	51%	0.514	47%	0.474	S	S	.	.	H	α-helix	trans	-67.3	-39	175.5	-76.7	-175.1	-30.9	0	0	112.5	H345 K346 D347 E352 H353	H345-Q349 PolarHBondContact CE1-NE2 3.36Å; H345-Q349 WeakPolarHBondContact O-CG 3.46Å; H345-Q349 PolarHBondContact O-N 2.64Å; K346-Q349 CarbonylContact O-C 3.55Å; K346-Q349 WeakPolarHBondContact O-CB 3.49Å; K346-Q349 PolarHBondContact O-N 2.9Å; K346-Q349 VanDerWaalsContact O-N 3.14Å; D347-Q349 PolarHBondContact O-N 3.05Å; Q349-E352 PolarHBondContact O-N 2.95Å; Q349-H353 VanDerWaalsContact O-CB 3.26Å; Q349-H353 WeakPolarHBondContact O-CB 3.12Å; Q349-H353 PolarHBondContact O-N 3.38Å
350	A	73.8	Confident	68.6	Low	48 Å²	48	94.5 Å²	94.5	40%	0.397	47%	0.474	S	S	.	.	H	α-helix	trans	-66.3	-38.5	175.1	0	0	0	0	0	111.4	K346 D347 H353 N354	K346-A350 WeakPolarHBondContact O-CB 3.5Å; K346-A350 PolarHBondContact O-N 2.8Å; D347-A350 PolarHBondContact O-N 3.06Å; A350-H353 PolarHBondContact O-N 3.1Å; A350-N354 WeakPolarHBondContact O-CB 3.31Å; A350-N354 PolarHBondContact O-N 3.11Å; A350-N354 PolarHBondContact O-ND2 3.17Å
351	W	71.7	Confident	68.7	Low	142 Å²	142	94 Å²	94	54%	0.538	48%	0.481	S	S	.	.	H	α-helix	trans	-66.1	-45.6	173.6	-174.1	93.5	0	0	0	111.9	D347 N348 H353 N354 R355	D347-W351 VanDerWaalsContact O-CB 3.24Å; D347-W351 WeakPolarHBondContact O-CB 3.46Å; D347-W351 PolarHBondContact O-N 3.07Å; N348-W351 PolarHBondContact O-N 3.45Å; W351-H353 VanDerWaalsContact C-N 3.33Å; W351-H353 PolarHBondContact O-N 3.39Å; W351-N354 PolarHBondContact O-N 3.07Å; W351-R355 VanDerWaalsContact CH2-CZ 3.47Å; W351-R355 VanDerWaalsContact CZ2-NH1 3.31Å; W351-R355 VanDerWaalsContact O-CB 3.26Å; W351-R355 WeakPolarHBondContact O-CB 3.39Å; W351-R355 PolarHBondContact O-N 3.16Å
352	E	70.9	Confident	68.5	Low	115 Å²	115	94.9 Å²	94.9	54%	0.537	48%	0.482	S	S	.	.	H	α-helix	trans	-62.2	-39	173.1	-76.6	-170	156.9	0	0	112	N348 Q349 R355 M356	N348-E352 WeakPolarHBondContact O-CB 3.37Å; N348-E352 WeakPolarHBondContact O-CG 3.33Å; N348-E352 PolarHBondContact O-N 3.03Å; Q349-E352 PolarHBondContact O-N 2.95Å; E352-R355 WeakPolarHBondContact O-CB 3.45Å; E352-R355 PolarHBondContact O-N 3.47Å; E352-M356 WeakPolarHBondContact O-CG 3.44Å; E352-M356 PolarHBondContact O-N 3.44Å
353	H	67.6	Low	67.9	Low	91 Å²	91	100.6 Å²	100.6	42%	0.421	50%	0.504	S	S	.	.	H	α-helix	trans	-65.6	-46.7	175.3	-171.2	-105.2	0	0	0	111.8	Q349 A350 W351 R355 M356 L357	Q349-H353 VanDerWaalsContact O-CB 3.26Å; Q349-H353 WeakPolarHBondContact O-CB 3.12Å; Q349-H353 PolarHBondContact O-N 3.38Å; A350-H353 PolarHBondContact O-N 3.1Å; W351-H353 VanDerWaalsContact C-N 3.33Å; W351-H353 PolarHBondContact O-N 3.39Å; H353-R355 VanDerWaalsContact C-N 3.28Å; H353-R355 PolarHBondContact O-N 3.21Å; H353-M356 PolarHBondContact O-N 2.99Å; H353-M356 VanDerWaalsContact O-N 3.11Å; H353-L357 WeakPolarHBondContact O-CG 3.44Å; H353-L357 PolarHBondContact O-N 3.37Å
354	N	70.6	Confident	66.5	Low	96 Å²	96	107.1 Å²	107.1	51%	0.513	53%	0.526	S	S	.	.	H	α-helix	trans	-63.3	-32.9	174.1	-82.4	-29.1	0	0	0	112.6	A350 W351 R358	A350-N354 WeakPolarHBondContact O-CB 3.31Å; A350-N354 PolarHBondContact O-N 3.11Å; A350-N354 PolarHBondContact O-ND2 3.17Å; W351-N354 PolarHBondContact O-N 3.07Å; N354-R358 WeakPolarHBondContact O-CG 3.41Å; N354-R358 PolarHBondContact O-N 3.15Å
355	R	72.8	Confident	65.2	Low	160 Å²	160	109.9 Å²	109.9	60%	0.604	54%	0.543	S	S	*	.	H	α-helix	trans	-65.1	-43.3	171.3	-163.2	88.1	155	-168.2	-8	111.3	W351 E352 H353 R358 S359	W351-R355 VanDerWaalsContact CH2-CZ 3.47Å; W351-R355 VanDerWaalsContact CZ2-NH1 3.31Å; W351-R355 VanDerWaalsContact O-CB 3.26Å; W351-R355 WeakPolarHBondContact O-CB 3.39Å; W351-R355 PolarHBondContact O-N 3.16Å; E352-R355 WeakPolarHBondContact O-CB 3.45Å; E352-R355 PolarHBondContact O-N 3.47Å; H353-R355 VanDerWaalsContact C-N 3.28Å; H353-R355 PolarHBondContact O-N 3.21Å; R355-R358 PolarHBondContact O-N 3.11Å; R355-S359 PolarHBondContact O-N 3.24Å; R355-S359 PolarHBondContact O-OG 3.48Å
356	M	69.2	Low	63.6	Low	79 Å²	79	111.5 Å²	111.5	39%	0.389	56%	0.555	S	S	.	*	H	α-helix	trans	-68.2	-37.9	176.3	-79.1	-171.8	-82.5	0	0	113.1	E352 H353 S359 G360 V361 V362	E352-M356 WeakPolarHBondContact O-CG 3.44Å; E352-M356 PolarHBondContact O-N 3.44Å; H353-M356 PolarHBondContact O-N 2.99Å; H353-M356 VanDerWaalsContact O-N 3.11Å; M356-S359 WeakPolarHBondContact CA-OG 3.34Å; M356-S359 PolarHBondContact O-N 2.97Å; M356-S359 PolarHBondContact O-OG 3.39Å; M356-G360 PolarHBondContact O-N 3.16Å; M356-V361 PolarHBondContact O-N 3.3Å; M356-V362 HydrophobicContact CB-CG2 4.03Å; M356-V362 HydrophobicContact SD-CG2 4.43Å
357	L	65.1	Low	61.7	Low	52 Å²	52	114.7 Å²	114.7	27%	0.272	57%	0.569	S	S	.	*	H	α-helix	trans	-63.6	-43	172.7	-72.3	172	0	0	0	111.3	H353 S359 G360 V362 R364	H353-L357 WeakPolarHBondContact O-CG 3.44Å; H353-L357 PolarHBondContact O-N 3.37Å; L357-S359 VanDerWaalsContact C-N 3.32Å; L357-S359 PolarHBondContact O-N 3.32Å; L357-G360 PolarHBondContact O-N 2.96Å; L357-V362 HydrophobicContact CD2-CB 4.31Å; L357-V362 HydrophobicContact CD2-CG1 4.33Å; L357-R364 HydrophobicContact CD2-CG 4.21Å
358	R	65.7	Low	60	Low	233 Å²	233	121.7 Å²	121.7	88%	0.879	60%	0.601	S	S	*	*	H	α-helix	trans	-70.2	-22.7	174.6	-74.5	-170.1	-175.5	-168.7	5	113.9	N354 R355 G360	N354-R358 WeakPolarHBondContact O-CG 3.41Å; N354-R358 PolarHBondContact O-N 3.15Å; R355-R358 PolarHBondContact O-N 3.11Å; R358-G360 VanDerWaalsContact C-N 3.34Å
359	S	65	Low	58.1	Low	74 Å²	74	125.2 Å²	125.2	52%	0.517	61%	0.614	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.3	-2	175.5	69.5	0	0	0	0	114.1	R355 M356 L357 V361	R355-S359 PolarHBondContact O-N 3.24Å; R355-S359 PolarHBondContact O-OG 3.48Å; M356-S359 WeakPolarHBondContact CA-OG 3.34Å; M356-S359 PolarHBondContact O-N 2.97Å; M356-S359 PolarHBondContact O-OG 3.39Å; L357-S359 VanDerWaalsContact C-N 3.32Å; L357-S359 PolarHBondContact O-N 3.32Å; S359-V361 VanDerWaalsContact C-N 3.3Å; S359-V361 PolarHBondContact O-N 3.42Å; S359-V361 WeakPolarHBondContact OG-CG2 3.3Å
360	G	57.6	Low	56.3	Low	67 Å²	67	126.9 Å²	126.9	69%	0.691	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	74.4	15	176.7	0	0	0	0	0	114.9	M356 L357 R358	M356-G360 PolarHBondContact O-N 3.16Å; L357-G360 PolarHBondContact O-N 2.96Å; R358-G360 VanDerWaalsContact C-N 3.34Å
361	V	61.9	Low	54.5	Low	113 Å²	113	132.3 Å²	132.3	69%	0.685	64%	0.644	S	S	*	*			trans	-89.5	-15.9	-174.8	178.5	0	0	0	0	112.8	M356 S359	M356-V361 PolarHBondContact O-N 3.3Å; S359-V361 VanDerWaalsContact C-N 3.3Å; S359-V361 PolarHBondContact O-N 3.42Å; S359-V361 WeakPolarHBondContact OG-CG2 3.3Å
362	V	51.5	Low	52.7	Low	56 Å²	56	132 Å²	132	34%	0.339	65%	0.653	S	S	.	*	S	Bend	trans	-126.9	128.6	-177.4	179.8	0	0	0	0	110.2	M356 L357	M356-V362 HydrophobicContact CB-CG2 4.03Å; M356-V362 HydrophobicContact SD-CG2 4.43Å; L357-V362 HydrophobicContact CD2-CB 4.31Å; L357-V362 HydrophobicContact CD2-CG1 4.33Å
363	Q	53	Low	51	Low	187 Å²	187	132.9 Å²	132.9	87%	0.874	66%	0.655	S	S	*	*			trans	-74.4	135.9	172.7	-72.4	176.8	-35.7	0	0	110
364	R	42.7	Very low	49.8	Very low	203 Å²	203	136.1 Å²	136.1	77%	0.766	68%	0.676	S	S	*	*			trans	-63.6	137.5	174.2	-71.3	-177.4	178.3	-176.6	-2.9	110.4	L357	L357-R364 HydrophobicContact CD2-CG 4.21Å
365	V	42.6	Very low	48.4	Very low	125 Å²	125	138.5 Å²	138.5	76%	0.758	68%	0.683	S	S	*	*			trans	-112.3	124.5	154.4	-179.4	0	0	0	0	105.1	F367	V365-F367 HydrophobicContact CG1-CE2 4.43Å; V365-F367 PolarHBondContact O-N 3.35Å
366	D	36.1	Very low	46.9	Very low	132 Å²	132	135.5 Å²	135.5	71%	0.706	68%	0.676	S	S	*	*			trans	-76	122.5	-165.8	-57.1	-59.2	0	0	0	112.2
367	F	36	Very low	45.7	Very low	194 Å²	194	135.2 Å²	135.2	85%	0.851	69%	0.693	S	S	*	*			trans	-138.7	123.4	158.6	-75.3	-76.9	0	0	0	108.2	V365 Q369	V365-F367 HydrophobicContact CG1-CE2 4.43Å; V365-F367 PolarHBondContact O-N 3.35Å; F367-Q369 PolarHBondContact O-N 2.78Å
368	E	37.8	Very low	44.6	Very low	185 Å²	185	140.5 Å²	140.5	86%	0.864	72%	0.717	S	S	*	*			trans	-64.4	120.6	179.3	-64.3	155.6	151.4	0	0	108.5
369	Q	34.3	Very low	44	Very low	168 Å²	168	133.5 Å²	133.5	79%	0.785	71%	0.709	S	S	*	*				46.9	98.2	95.9	-73	-169.9	-55.1	0	0	113.1	F367	F367-Q369 PolarHBondContact O-N 2.78Å
370	D	35.6	Very low	43.8	Very low	145 Å²	145	137.5 Å²	137.5	78%	0.775	71%	0.712	S	S	*	*				-171.1	160.2	94.6	-87	-26.7	0	0	0	113.7
371	E	36.9	Very low	44.2	Very low	162 Å²	162	135.8 Å²	135.8	76%	0.757	69%	0.688	S	S	*	*			trans	71.6	93	162.7	-68.9	166	-161.9	0	0	120.4
372	D	34.1	Very low	44.7	Very low	135 Å²	135	135.9 Å²	135.9	72%	0.722	68%	0.681	S	S	*	*				68.2	99.8	125.5	-53.2	-18	0	0	0	121.1
373	F	34.4	Very low	45.8	Very low	134 Å²	134	134.1 Å²	134.1	59%	0.588	67%	0.67	S	S	*	*			trans	-130.7	21.2	175	-98.2	-101.6	0	0	0	113.8	D347	D347-F373 VanDerWaalsContact OD1-CD1 3.26Å; D347-F373 WeakPolarHBondContact OD1-CD1 3.47Å; D347-F373 WeakPolarHBondContact OD1-CE1 3.44Å
374	D	42.7	Very low	46.9	Very low	159 Å²	159	128.1 Å²	128.1	85%	0.85	64%	0.643	S	S	*	*			trans	-102.4	-5.4	-179.9	-78.8	-43.1	0	0	0	114.3
375	E	41.1	Very low	48.3	Very low	145 Å²	145	121 Å²	121	68%	0.678	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-77.8	-21.1	-171.1	-73.7	-164.5	140.4	0	0	117.1	G377 E378 A379	E375-G377 PolarHBondContact O-N 3.43Å; E375-E378 PolarHBondContact O-N 3.37Å; E375-A379 PolarHBondContact O-N 3.22Å
376	E	41.5	Very low	49.6	Very low	98 Å²	98	117 Å²	117	46%	0.458	59%	0.593	S	S	.	*	G	3₁₀ helix	trans	-64.8	-13.9	-171.3	-79.8	-135.3	140.5	0	0	114.3	K340	K340-E376 WeakPolarHBondContact CE-OE1 3.28Å; K340-E376 VanDerWaalsContact CE-OE2 3.23Å; K340-E376 WeakPolarHBondContact CE-OE2 3.32Å; K340-E376 IonicContact NZ-OE1 2.66Å; K340-E376 PolarHBondContact NZ-OE1 2.95Å; K340-E376 IonicContact NZ-OE2 3.15Å; K340-E376 PolarHBondContact NZ-OE2 2.6Å
377	G	44.3	Very low	51.1	Low	72 Å²	72	114.3 Å²	114.3	74%	0.742	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-84.5	-20.9	171	0	0	0	0	0	114.8	E375	E375-G377 PolarHBondContact O-N 3.43Å
378	E	42.9	Very low	52.5	Low	163 Å²	163	106.5 Å²	106.5	76%	0.762	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-20.9	-171.6	-57.8	-161.9	140.2	0	0	113.1	E375 R380	E375-E378 PolarHBondContact O-N 3.37Å; E378-R380 PolarHBondContact O-N 2.91Å
379	A	51.5	Low	53.9	Low	86 Å²	86	101.7 Å²	101.7	71%	0.711	53%	0.526	S	S	*	.			trans	-65.8	2.4	-177.9	0	0	0	0	0	116.3	E375 V381	E375-A379 PolarHBondContact O-N 3.22Å; A379-V381 PolarHBondContact O-N 2.94Å
380	R	60.8	Low	55.4	Low	158 Å²	158	93.7 Å²	93.7	60%	0.596	49%	0.488	S	S	*	.			trans	-89.4	93.2	176.5	-90.4	-172.8	156.6	159.1	-3.3	112	E378 H382 D1089	E378-R380 PolarHBondContact O-N 2.91Å; R380-H382 PolarHBondContact O-CD2 2.84Å; R380-H382 PolarHBondContact O-N 3.42Å; R380-D1089 IonicContact CZ-OD1 2.88Å; R380-D1089 IonicContact CZ-OD2 2.72Å; R380-D1089 IonicContact NE-OD1 3.87Å; R380-D1089 IonicContact NE-OD2 3.51Å; R380-D1089 PolarHBondContact NE-OD2 2.91Å; R380-D1089 IonicContact NH2-OD1 3.99Å; R380-D1089 PolarHBondContact NH2-OD1 3.14Å; R380-D1089 VanDerWaalsContact NH2-OD1 3.11Å; R380-D1089 IonicContact NH2-OD2 3.5Å; R380-D1089 PolarHBondContact NH2-OD2 3.12Å
381	V	67.2	Low	56.6	Low	31 Å²	31	87.8 Å²	87.8	19%	0.188	46%	0.458	C	S	.	.			trans	-58.7	103.5	174.5	-175.9	0	0	0	0	110.6	A379 L383 Y1090 V1125	A379-V381 PolarHBondContact O-N 2.94Å; V381-L383 HydrophobicContact CG1-CD2 4.25Å; V381-Y1090 VanDerWaalsContact O-CE2 3.3Å; V381-Y1090 WeakPolarHBondContact O-CE2 3.41Å; V381-Y1090 PolarHBondContact O-OH 2.89Å; V381-V1125 HydrophobicContact CG1-CG1 4.14Å; V381-V1125 HydrophobicContact CG1-CG2 4.25Å
382	H	72.1	Confident	57.9	Low	115 Å²	115	81.8 Å²	81.8	53%	0.532	43%	0.43	S	S	.	.			trans	-88.5	113	174.1	-78.8	-63.2	0	0	0	110.9	R380 K1126	R380-H382 PolarHBondContact O-CD2 2.84Å; R380-H382 PolarHBondContact O-N 3.42Å; H382-K1126 HydrophobicContact CB-CB 4.12Å; H382-K1126 HydrophobicContact CB-CD 4.18Å; H382-K1126 WeakPolarHBondContact O-CB 3.4Å; H382-K1126 PolarHBondContact O-N 3.41Å
383	L	75.3	Confident	59.4	Low	19 Å²	19	77.4 Å²	77.4	10%	0.099	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	130.9	174.7	-65	179.8	0	0	0	113.1	V381 Y1090 G1112 L1115 A1116 Y1123 V1125	V381-L383 HydrophobicContact CG1-CD2 4.25Å; L383-Y1090 HydrophobicContact CB-CE1 4.44Å; L383-Y1090 HydrophobicContact CD1-CD1 4.37Å; L383-Y1090 HydrophobicContact CD1-CE1 3.96Å; L383-Y1090 HydrophobicContact CG-CE1 4.34Å; L383-Y1090 HydrophobicContact CG-CE2 4.49Å; L383-Y1090 PolarHBondContact N-OH 2.89Å; L383-Y1090 VanDerWaalsContact N-OH 3.13Å; L383-G1112 WeakPolarHBondContact CD2-O 3.36Å; L383-L1115 HydrophobicContact CD1-CB 3.7Å; L383-L1115 HydrophobicContact CD1-CD1 3.74Å; L383-L1115 HydrophobicContact CD1-CG 4.38Å; L383-A1116 HydrophobicContact CD2-CB 3.95Å; L383-Y1123 HydrophobicContact CD1-CD1 4.4Å; L383-Y1123 HydrophobicContact CD1-CG 4.48Å; L383-V1125 HydrophobicContact CD2-CG2 4.38Å
384	L	74.3	Confident	60.4	Low	61 Å²	61	76.2 Å²	76.2	32%	0.319	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	124.7	164.8	-66.8	169.1	0	0	0	109.2	S1124 K1126	L384-S1124 PolarHBondContact N-O 2.89Å; L384-S1124 PolarHBondContact O-N 3.46Å; L384-S1124 VanDerWaalsContact O-N 3.1Å; L384-K1126 HydrophobicContact CD1-CB 4.21Å; L384-K1126 HydrophobicContact CD1-CG 4.26Å; L384-K1126 HydrophobicContact CG-CB 4.09Å; L384-K1126 HydrophobicContact CG-CG 4.39Å
385	V	73.6	Confident	60.8	Low	53 Å²	53	71.8 Å²	71.8	32%	0.321	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	123.7	178.8	-174.2	0	0	0	0	110.2	L1067 F1122 Y1123	V385-L1067 HydrophobicContact CG2-CB 4.16Å; V385-L1067 HydrophobicContact CG2-CD2 4.07Å; V385-F1122 CarbonylContact C-O 3.57Å; V385-F1122 WeakPolarHBondContact CA-O 3.4Å; V385-Y1123 HydrophobicContact CG1-CE1 4.31Å; V385-Y1123 HydrophobicContact CG2-CD1 4.24Å; V385-Y1123 HydrophobicContact CG2-CE1 4.04Å
386	R	69.1	Low	61.1	Low	41 Å²	41	72.3 Å²	72.3	16%	0.155	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-101.6	134.2	175.3	-57.4	179.1	-177.2	-162.5	-1.1	109.1	I388 F1122 S1124	R386-I388 HydrophobicContact CB-CG1 4.2Å; R386-F1122 PolarHBondContact N-O 3.11Å; R386-F1122 WeakPolarHBondContact O-CD1 3.36Å; R386-S1124 PolarHBondContact NE-OG 3.33Å; R386-S1124 VanDerWaalsContact NE-OG 3.08Å; R386-S1124 VanDerWaalsContact NH2-CB 3.34Å; R386-S1124 PolarHBondContact NH2-OG 2.94Å
387	N	66.5	Low	61.1	Low	76 Å²	76	74.7 Å²	74.7	41%	0.406	41%	0.408	S	S	.	.			trans	-108	67.9	175.2	-78.8	-48.3	0	0	0	109.9	R142	R142-N387 PolarHBondContact NH2-O 2.77Å
388	I	66.5	Low	61	Low	30 Å²	30	74.7 Å²	74.7	15%	0.154	39%	0.393	C	S	.	.			trans	-74.5	132.7	173.6	-54.3	-175.4	0	0	0	108.5	R386 Y899 M1121 M1146	R386-I388 HydrophobicContact CB-CG1 4.2Å; I388-Y899 PolarHBondContact O-OH 3.37Å; I388-M1121 VanDerWaalsContact CD1-O 3.24Å; I388-M1121 WeakPolarHBondContact CD1-O 3.49Å; I388-M1121 WeakPolarHBondContact CG1-O 3.3Å; I388-M1146 HydrophobicContact CG2-CE 4.19Å; I388-M1146 HydrophobicContact CG2-SD 4.29Å
389	L	66.8	Low	60.8	Low	84 Å²	84	76.4 Å²	76.4	44%	0.44	40%	0.398	S	S	.	.			trans	-105.2	139.5	166.4	-70.2	167.3	0	0	0	107.2	Y899	L389-Y899 HydrophobicContact CD2-CD2 4.37Å; L389-Y899 HydrophobicContact CD2-CE2 4.03Å
390	P	66.2	Low	60.7	Low	0 Å²	0	74.3 Å²	74.3	0%	0	38%	0.377	C	S	.	.			trans	-65.8	148	174.4	28.3	-34.8	0	0	0	110.2	F392 L393 Y899 W902	P390-F392 HydrophobicContact CB-CD1 3.61Å; P390-F392 HydrophobicContact CB-CE1 3.45Å; P390-F392 VanDerWaalsContact CB-CE1 3.45Å; P390-F392 HydrophobicContact CB-CZ 4.33Å; P390-F392 HydrophobicContact CG-CD1 3.89Å; P390-F392 HydrophobicContact CG-CE1 3.42Å; P390-F392 VanDerWaalsContact CG-CE1 3.42Å; P390-F392 HydrophobicContact CG-CZ 3.8Å; P390-F392 PolarHBondContact O-N 2.87Å; P390-L393 HydrophobicContact CG-CB 4.34Å; P390-L393 HydrophobicContact CG-CD1 3.72Å; P390-L393 HydrophobicContact CG-CG 3.94Å; P390-L393 PolarHBondContact O-N 2.89Å; P390-Y899 HydrophobicContact CG-CD2 4.39Å; P390-W902 HydrophobicContact CB-CD2 3.72Å; P390-W902 HydrophobicContact CB-CE3 4.13Å; P390-W902 HydrophobicContact CB-CG 4.12Å; P390-W902 HydrophobicContact CB-CH2 4.34Å; P390-W902 HydrophobicContact CB-CZ2 3.96Å; P390-W902 HydrophobicContact CB-CZ3 4.41Å; P390-W902 HydrophobicContact CG-CD2 3.8Å; P390-W902 HydrophobicContact CG-CE3 3.88Å; P390-W902 HydrophobicContact CG-CG 4.12Å; P390-W902 HydrophobicContact CG-CZ3 4.37Å
391	P	59.9	Low	60.2	Low	22 Å²	22	78.7 Å²	78.7	14%	0.143	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-15.3	-167.5	-13	27.4	0	0	0	112.9	L393 D394 M1146 E1147 M1150	P391-L393 PolarHBondContact O-N 3.35Å; P391-D394 PolarHBondContact O-N 3.44Å; P391-M1146 HydrophobicContact CG-CB 4.49Å; P391-E1147 HydrophobicContact CG-CG 4.48Å; P391-M1150 HydrophobicContact CB-CE 3.64Å; P391-M1150 HydrophobicContact CB-SD 3.88Å; P391-M1150 HydrophobicContact CG-CE 4.07Å
392	F	65.9	Low	59.6	Low	36 Å²	36	80.9 Å²	80.9	16%	0.158	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-16.6	173.8	74.7	-96.8	0	0	0	113.1	P390 M898 W902 N909 M1150	P390-F392 HydrophobicContact CB-CD1 3.61Å; P390-F392 HydrophobicContact CB-CE1 3.45Å; P390-F392 VanDerWaalsContact CB-CE1 3.45Å; P390-F392 HydrophobicContact CB-CZ 4.33Å; P390-F392 HydrophobicContact CG-CD1 3.89Å; P390-F392 HydrophobicContact CG-CE1 3.42Å; P390-F392 VanDerWaalsContact CG-CE1 3.42Å; P390-F392 HydrophobicContact CG-CZ 3.8Å; P390-F392 PolarHBondContact O-N 2.87Å; F392-M898 HydrophobicContact CE2-CB 4.12Å; F392-M898 HydrophobicContact CZ-CB 4.44Å; F392-W902 HydrophobicContact CE1-CB 4.32Å; F392-W902 AromaticContact CE1-CD1 3.98Å; F392-W902 HydrophobicContact CE1-CG 4.14Å; F392-W902 HydrophobicContact CZ-CB 4.29Å; F392-N909 VanDerWaalsContact CD1-O 3.27Å; F392-N909 WeakPolarHBondContact CD1-O 3.39Å; F392-M1150 HydrophobicContact CB-CE 4.03Å
393	L	64.4	Low	58.9	Low	42 Å²	42	79.1 Å²	79.1	22%	0.22	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-11	171.4	-63.3	-179.1	0	0	0	112.7	P390 P391 L895 Y899	P390-L393 HydrophobicContact CG-CB 4.34Å; P390-L393 HydrophobicContact CG-CD1 3.72Å; P390-L393 HydrophobicContact CG-CG 3.94Å; P390-L393 PolarHBondContact O-N 2.89Å; P391-L393 PolarHBondContact O-N 3.35Å; L393-L895 HydrophobicContact CD2-CB 4.27Å; L393-L895 HydrophobicContact CD2-CD2 3.62Å; L393-L895 HydrophobicContact CD2-CG 4.43Å; L393-Y899 HydrophobicContact CD1-CD2 4.12Å; L393-Y899 HydrophobicContact CD1-CG 4.37Å
394	D	55.1	Low	58.4	Low	109 Å²	109	85.5 Å²	85.5	58%	0.583	43%	0.429	S	S	*	.	S	Bend	trans	-85.9	124.9	-179	-151.9	-5	0	0	0	111.3	P391 R396	P391-D394 PolarHBondContact O-N 3.44Å; D394-R396 VanDerWaalsContact C-N 3.28Å; D394-R396 PolarHBondContact O-N 2.91Å
395	G	52.3	Low	58.1	Low	66 Å²	66	85.5 Å²	85.5	68%	0.68	43%	0.433	S	S	*	.	S	Bend	trans	70	-19.6	171.5	0	0	0	0	0	119.6	I397	G395-I397 PolarHBondContact O-N 3.23Å
396	R	46.6	Very low	58	Low	156 Å²	156	85.2 Å²	85.2	59%	0.589	43%	0.429	S	S	*	.			trans	-77.6	81.3	179.8	-67.1	-169.9	-170.9	-179.9	8.4	112.4	D394 V398 E1154	D394-R396 VanDerWaalsContact C-N 3.28Å; D394-R396 PolarHBondContact O-N 2.91Å; R396-V398 VanDerWaalsContact C-N 3.33Å; R396-V398 PolarHBondContact O-N 3.46Å; R396-E1154 IonicContact CZ-OE1 3.55Å; R396-E1154 IonicContact NH1-OE1 2.82Å; R396-E1154 IonicContact NH2-OE1 3.56Å; R396-E1154 PolarHBondContact NH2-OE1 2.96Å; R396-E1154 IonicContact NH2-OE2 3.99Å
397	I	42.6	Very low	58.5	Low	148 Å²	148	88.5 Å²	88.5	76%	0.759	45%	0.449	S	S	*	.			trans	-67.8	88	169.8	-51.6	174.3	0	0	0	109.9	G395	G395-I397 PolarHBondContact O-N 3.23Å
398	V	41.7	Very low	59.2	Low	73 Å²	73	85.2 Å²	85.2	44%	0.442	43%	0.432	S	S	.	.			trans	-82.2	120.9	169.1	-177.3	0	0	0	0	108.4	R396 T400 M881 Q891	R396-V398 VanDerWaalsContact C-N 3.33Å; R396-V398 PolarHBondContact O-N 3.46Å; V398-T400 PolarHBondContact O-N 3.07Å; V398-M881 HydrophobicContact CG1-CB 4.5Å; V398-Q891 PolarHBondContact O-NE2 2.88Å; V398-Q891 PolarHBondContact O-OE1 2.95Å
399	F	39	Very low	60	Low	198 Å²	198	85 Å²	85	87%	0.868	43%	0.432	S	S	*	.			trans	-63	105.5	179.4	-71.9	-87.2	0	0	0	111.4
400	T	47.8	Very low	60.8	Low	42 Å²	42	86.1 Å²	86.1	26%	0.258	43%	0.433	S	S	.	.			trans	-92.8	161.8	164.6	63.7	0	0	0	0	110.8	V398 Q402 M881 Q891	V398-T400 PolarHBondContact O-N 3.07Å; T400-Q402 VanDerWaalsContact C-N 3.34Å; T400-M881 HydrophobicContact CG2-CE 3.18Å; T400-Q891 HydrophobicContact CG2-CB 3.79Å; T400-Q891 HydrophobicContact CG2-CG 3.75Å; T400-Q891 PolarHBondContact OG1-OE1 3.48Å
401	R	51.3	Low	61.7	Low	251 Å²	251	89.8 Å²	89.8	95%	0.947	45%	0.452	S	S	*	.	S	Bend	trans	-80.4	-16.3	177.1	-65	-176.1	178.9	-176.9	1.1	113
402	Q	54.4	Low	62.8	Low	77 Å²	77	92.3 Å²	92.3	36%	0.36	47%	0.469	S	S	.	.			trans	-144	95	-170.3	-73.6	176	-23.4	0	0	110.2	T400 Q861 A888 Q891	T400-Q402 VanDerWaalsContact C-N 3.34Å; Q402-Q861 VanDerWaalsContact OE1-NE2 3.16Å; Q402-A888 PolarHBondContact OE1-O 3.32Å; Q402-Q891 PolarHBondContact O-N 3.03Å
403	P	58.1	Low	63.8	Low	78 Å²	78	97.4 Å²	97.4	51%	0.506	49%	0.493	S	S	.	.			trans	-84.3	-24.1	179.2	31.9	-33.7	0	0	0	113.6
404	E	64.4	Low	64.8	Low	152 Å²	152	95.9 Å²	95.9	71%	0.71	49%	0.486	S	S	*	.	S	Bend	trans	-98.7	148.2	-173.9	-68.3	-175.2	169.5	0	0	112.6	I406	E404-I406 PolarHBondContact O-N 2.72Å
405	P	68.2	Low	66.4	Low	61 Å²	61	94.2 Å²	94.2	40%	0.396	48%	0.476	S	S	.	.			trans	-66.2	131	176.1	27.8	-34.6	0	0	0	111.2	I407	P405-I407 PolarHBondContact O-N 3.42Å
406	I	71.6	Confident	68.2	Low	47 Å²	47	91.1 Å²	91.1	24%	0.241	44%	0.444	C	S	.	.			trans	-84.3	112.1	-174.1	-60.5	170	0	0	0	109.9	E404 V857 Q861	E404-I406 PolarHBondContact O-N 2.72Å; I406-V857 HydrophobicContact CG2-CG1 3.95Å; I406-V857 HydrophobicContact CG2-CG2 4.25Å; I406-Q861 HydrophobicContact CD1-CB 4.3Å; I406-Q861 HydrophobicContact CD1-CG 4.38Å
407	I	79	Confident	70.2	Confident	110 Å²	110	83.9 Å²	83.9	56%	0.564	42%	0.418	S	S	*	.			trans	-78	131.5	171.4	-56.2	176.7	0	0	0	108.2	P405 V409	P405-I407 PolarHBondContact O-N 3.42Å; I407-V409 HydrophobicContact CG2-CB 4.16Å; I407-V409 HydrophobicContact CG2-CG2 4.07Å; I407-V409 PolarHBondContact O-N 3.02Å
408	P	81.7	Confident	72.4	Confident	7 Å²	7	81.4 Å²	81.4	5%	0.045	40%	0.402	C	S	.	.	S	Bend	trans	-77.7	45.8	-178.8	32.7	-35.9	0	0	0	113.2	L802 V804 F817 V857	P408-L802 HydrophobicContact CB-CD1 4.21Å; P408-L802 HydrophobicContact CG-CD1 4.34Å; P408-V804 HydrophobicContact CG-CG2 4.28Å; P408-F817 HydrophobicContact CG-CD1 3.86Å; P408-F817 HydrophobicContact CG-CD2 3.85Å; P408-F817 HydrophobicContact CG-CE1 3.78Å; P408-F817 HydrophobicContact CG-CE2 3.75Å; P408-F817 HydrophobicContact CG-CG 3.88Å; P408-F817 HydrophobicContact CG-CZ 3.72Å; P408-V857 HydrophobicContact CB-CB 4.37Å; P408-V857 HydrophobicContact CB-CG2 4.12Å
409	V	83.8	Confident	74.6	Confident	25 Å²	25	78.2 Å²	78.2	15%	0.152	38%	0.382	C	S	.	.			trans	-140.2	135.8	-179.8	-175.5	0	0	0	0	108.8	I407 D411 A417 F817	I407-V409 HydrophobicContact CG2-CB 4.16Å; I407-V409 HydrophobicContact CG2-CG2 4.07Å; I407-V409 PolarHBondContact O-N 3.02Å; V409-D411 VanDerWaalsContact CG1-O 3.24Å; V409-D411 WeakPolarHBondContact CG1-O 3.46Å; V409-A417 HydrophobicContact CG1-CB 3.75Å; V409-F817 HydrophobicContact CG2-CD1 3.42Å; V409-F817 VanDerWaalsContact CG2-CD1 3.42Å; V409-F817 HydrophobicContact CG2-CE1 3.74Å
410	K	83	Confident	77	Confident	109 Å²	109	69 Å²	69	47%	0.474	34%	0.343	S	S	.	.	S	Bend	trans	-70.2	-42.1	179	-170.2	173.9	167.3	-162	0	112.6	Q849 D850 E851 L853	K410-Q849 PolarHBondContact NZ-O 2.88Å; K410-D850 VanDerWaalsContact CD-O 3.29Å; K410-D850 WeakPolarHBondContact CD-O 3.3Å; K410-D850 VanDerWaalsContact CE-O 3.26Å; K410-D850 WeakPolarHBondContact CE-O 3.49Å; K410-D850 PolarHBondContact NZ-O 3.2Å; K410-E851 WeakPolarHBondContact CB-O 3.37Å; K410-L853 HydrophobicContact CB-CD2 3.78Å; K410-L853 HydrophobicContact CB-CG 4.33Å; K410-L853 HydrophobicContact CG-CD2 4.27Å
411	D	84.1	Confident	78.8	Confident	76 Å²	76	74.3 Å²	74.3	41%	0.406	37%	0.365	S	S	.	.			trans	-141.5	116.4	172.5	177.2	3.7	0	0	0	109.7	V409 E413 S414	V409-D411 VanDerWaalsContact CG1-O 3.24Å; V409-D411 WeakPolarHBondContact CG1-O 3.46Å; D411-E413 PolarHBondContact O-N 2.78Å; D411-E413 WeakPolarHBondContact OD1-CB 3.23Å; D411-E413 PolarHBondContact OD1-N 2.83Å; D411-S414 VanDerWaalsContact O-CB 3.23Å; D411-S414 WeakPolarHBondContact O-CB 3.42Å; D411-S414 PolarHBondContact O-N 2.91Å; D411-S414 VanDerWaalsContact O-N 3.15Å; D411-S414 PolarHBondContact O-OG 2.81Å
412	P	83.9	Confident	80.4	Confident	76 Å²	76	69.1 Å²	69.1	49%	0.494	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-16.3	178.2	29.6	-36.1	0	0	0	113.7	S414	P412-S414 VanDerWaalsContact C-N 3.34Å
413	E	85.9	Confident	81.9	Confident	143 Å²	143	66.4 Å²	66.4	67%	0.668	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-5.2	174.3	-59.7	-150.9	139.7	0	0	113.8	D411 K418	D411-E413 PolarHBondContact O-N 2.78Å; D411-E413 WeakPolarHBondContact OD1-CB 3.23Å; D411-E413 PolarHBondContact OD1-N 2.83Å; E413-K418 WeakPolarHBondContact O-CD 3.25Å; E413-K418 VanDerWaalsContact O-CE 3.23Å; E413-K418 WeakPolarHBondContact O-CE 3.39Å; E413-K418 PolarHBondContact O-NZ 3.01Å
414	S	86.7	Confident	83.3	Confident	10 Å²	10	62.8 Å²	62.8	7%	0.07	32%	0.318	C	S	.	.	S	Bend	trans	-61	158.7	178.7	65.2	0	0	0	0	113.7	D411 P412 A417 K418 E851	D411-S414 VanDerWaalsContact O-CB 3.23Å; D411-S414 WeakPolarHBondContact O-CB 3.42Å; D411-S414 PolarHBondContact O-N 2.91Å; D411-S414 VanDerWaalsContact O-N 3.15Å; D411-S414 PolarHBondContact O-OG 2.81Å; P412-S414 VanDerWaalsContact C-N 3.34Å; S414-A417 PolarHBondContact O-N 3.19Å; S414-A417 WeakPolarHBondContact OG-CB 3.28Å; S414-A417 PolarHBondContact OG-N 3.35Å; S414-K418 WeakPolarHBondContact O-CG 3.19Å; S414-K418 PolarHBondContact O-N 3.18Å; S414-K418 VanDerWaalsContact O-N 3.09Å; S414-E851 WeakPolarHBondContact CB-OE2 3.43Å
415	I	89.1	Confident	84.4	Confident	73 Å²	73	58.9 Å²	58.9	37%	0.374	31%	0.312	S	S	.	.	H	α-helix	trans	-68	-44.3	-177.9	-63	176.8	0	0	0	109.8	A417 K418 V419 T692 M694 E851	I415-A417 VanDerWaalsContact C-N 3.35Å; I415-A417 PolarHBondContact O-N 3.07Å; I415-K418 PolarHBondContact O-N 3.44Å; I415-V419 HydrophobicContact CG2-CG2 4.41Å; I415-V419 WeakPolarHBondContact O-CG2 3.06Å; I415-V419 PolarHBondContact O-N 3.24Å; I415-T692 HydrophobicContact CD1-CG2 4.41Å; I415-M694 HydrophobicContact CG2-SD 4.23Å; I415-E851 PolarHBondContact N-OE2 2.82Å; I415-E851 VanDerWaalsContact N-OE2 3.14Å
416	M	89.3	Confident	85.4	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-62.1	-40.2	177.5	-66.6	-163.9	79.9	0	0	111.9	V419 A420 Y799 P818 Y843 Q847 E851 M852	M416-V419 PolarHBondContact O-N 2.76Å; M416-A420 VanDerWaalsContact O-CB 3.3Å; M416-A420 WeakPolarHBondContact O-CB 3.11Å; M416-A420 PolarHBondContact O-N 2.99Å; M416-Y799 HydrophobicContact CB-CE1 4.34Å; M416-Y799 HydrophobicContact CE-CE1 3.98Å; M416-Y799 HydrophobicContact CE-CE2 4.27Å; M416-P818 HydrophobicContact CB-CB 4.24Å; M416-P818 HydrophobicContact CB-CG 3.79Å; M416-P818 HydrophobicContact CE-CB 4.39Å; M416-Y843 HydrophobicContact CE-CD1 4.5Å; M416-Y843 HydrophobicContact CE-CG 4.47Å; M416-Q847 HydrophobicContact CG-CB 4.42Å; M416-Q847 HydrophobicContact CG-CG 4.32Å; M416-Q847 VanDerWaalsContact CG-NE2 3.33Å; M416-Q847 HydrophobicContact SD-CB 3.9Å; M416-Q847 HydrophobicContact SD-CG 4.43Å; M416-E851 WeakPolarHBondContact CB-OE2 3.47Å; M416-E851 VanDerWaalsContact CG-OE2 3.31Å; M416-E851 WeakPolarHBondContact CG-OE2 3.44Å; M416-E851 PolarHBondContact N-OE2 3.42Å; M416-M852 HydrophobicContact CE-CE 3.72Å; M416-M852 HydrophobicContact SD-CE 3.63Å; M416-M852 HydrophobicContact SD-CG 4.42Å
417	A	87.8	Confident	86.1	Confident	4 Å²	4	55.7 Å²	55.7	3%	0.033	29%	0.292	C	S	.	.	H	α-helix	trans	-63.5	-43.3	175.7	0	0	0	0	0	112.3	V409 S414 I415 V419 A420 Q421	V409-A417 HydrophobicContact CG1-CB 3.75Å; S414-A417 PolarHBondContact O-N 3.19Å; S414-A417 WeakPolarHBondContact OG-CB 3.28Å; S414-A417 PolarHBondContact OG-N 3.35Å; I415-A417 VanDerWaalsContact C-N 3.35Å; I415-A417 PolarHBondContact O-N 3.07Å; A417-V419 VanDerWaalsContact C-N 3.34Å; A417-V419 PolarHBondContact O-N 3.2Å; A417-A420 PolarHBondContact O-N 2.81Å; A417-Q421 WeakPolarHBondContact O-CG 3.35Å; A417-Q421 PolarHBondContact O-N 3.34Å
418	K	88.9	Confident	86.4	Confident	96 Å²	96	55.4 Å²	55.4	42%	0.417	29%	0.287	S	S	.	.	H	α-helix	trans	-66.9	-31.5	177.1	-75.7	166.8	176	157.7	0	113.2	E413 S414 I415 K422	E413-K418 WeakPolarHBondContact O-CD 3.25Å; E413-K418 VanDerWaalsContact O-CE 3.23Å; E413-K418 WeakPolarHBondContact O-CE 3.39Å; E413-K418 PolarHBondContact O-NZ 3.01Å; S414-K418 WeakPolarHBondContact O-CG 3.19Å; S414-K418 PolarHBondContact O-N 3.18Å; S414-K418 VanDerWaalsContact O-N 3.09Å; I415-K418 PolarHBondContact O-N 3.44Å; K418-K422 VanDerWaalsContact O-CG 3.3Å; K418-K422 WeakPolarHBondContact O-CG 3.26Å; K418-K422 PolarHBondContact O-N 3.1Å
419	V	89.2	Confident	86.6	Confident	5 Å²	5	61.4 Å²	61.4	3%	0.03	31%	0.309	C	S	.	.	H	α-helix	trans	-73.1	-44.3	172.3	171.3	0	0	0	0	110.5	I415 M416 A417 Q421 K422 G423 M694 Y696 Y799	I415-V419 HydrophobicContact CG2-CG2 4.41Å; I415-V419 WeakPolarHBondContact O-CG2 3.06Å; I415-V419 PolarHBondContact O-N 3.24Å; M416-V419 PolarHBondContact O-N 2.76Å; A417-V419 VanDerWaalsContact C-N 3.34Å; A417-V419 PolarHBondContact O-N 3.2Å; V419-Q421 PolarHBondContact O-N 2.87Å; V419-K422 PolarHBondContact O-N 2.81Å; V419-G423 PolarHBondContact O-N 3.48Å; V419-M694 HydrophobicContact CG2-CE 3.8Å; V419-M694 HydrophobicContact CG2-SD 4.08Å; V419-Y696 HydrophobicContact CG1-CD1 4.19Å; V419-Y696 HydrophobicContact CG1-CE1 4.35Å; V419-Y799 HydrophobicContact CG1-CE2 4.42Å; V419-Y799 WeakPolarHBondContact CG1-OH 2.97Å
420	A	88.1	Confident	86.5	Confident	6 Å²	6	62.1 Å²	62.1	5%	0.05	31%	0.31	C	S	.	.	H	α-helix	trans	-58.7	-45.1	177.5	0	0	0	0	0	112.4	M416 A417 K422 Y799 I816	M416-A420 VanDerWaalsContact O-CB 3.3Å; M416-A420 WeakPolarHBondContact O-CB 3.11Å; M416-A420 PolarHBondContact O-N 2.99Å; A417-A420 PolarHBondContact O-N 2.81Å; A420-K422 VanDerWaalsContact C-N 3.27Å; A420-K422 PolarHBondContact O-N 3.15Å; A420-Y799 HydrophobicContact CB-CD1 3.99Å; A420-Y799 HydrophobicContact CB-CE1 3.9Å; A420-I816 HydrophobicContact CB-CG2 4.12Å; A420-I816 WeakPolarHBondContact CB-O 3.41Å
421	Q	85.8	Confident	86.2	Confident	153 Å²	153	60 Å²	60	72%	0.715	30%	0.3	S	S	*	.	H	α-helix	trans	-63.3	-28.4	174.4	-73.8	177.3	-4.1	0	0	113.9	A417 V419	A417-Q421 WeakPolarHBondContact O-CG 3.35Å; A417-Q421 PolarHBondContact O-N 3.34Å; V419-Q421 PolarHBondContact O-N 2.87Å
422	K	85.9	Confident	85.9	Confident	142 Å²	142	60.7 Å²	60.7	62%	0.617	30%	0.3	S	S	*	.	H	α-helix	trans	-88.5	-30.3	-178.8	-76.1	180	-179.7	-175.2	0	113.3	K418 V419 A420 K428	K418-K422 VanDerWaalsContact O-CG 3.3Å; K418-K422 WeakPolarHBondContact O-CG 3.26Å; K418-K422 PolarHBondContact O-N 3.1Å; V419-K422 PolarHBondContact O-N 2.81Å; A420-K422 VanDerWaalsContact C-N 3.27Å; A420-K422 PolarHBondContact O-N 3.15Å; K422-K428 WeakPolarHBondContact O-CE 3.31Å; K422-K428 PolarHBondContact O-NZ 3.11Å
423	G	85.1	Confident	85.6	Confident	20 Å²	20	59.6 Å²	59.6	21%	0.206	29%	0.288	C	S	.	.			trans	72.3	174.5	-169.6	0	0	0	0	0	113.3	V419	V419-G423 PolarHBondContact O-N 3.48Å
424	S	87.7	Confident	85	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.014	27%	0.273	C	S	.	.			trans	-65.3	143.2	175	167.5	0	0	0	0	111.6	I426 V427 K428 D695	S424-I426 PolarHBondContact OG-N 3.09Å; S424-V427 PolarHBondContact OG-N 2.97Å; S424-K428 PolarHBondContact O-N 3.48Å; S424-D695 WeakPolarHBondContact CB-OD1 3.3Å; S424-D695 PolarHBondContact OG-OD1 3.37Å; S424-D695 PolarHBondContact OG-OD2 3.35Å
425	A	88.4	Confident	84	Confident	70 Å²	70	60.3 Å²	60.3	58%	0.579	29%	0.289	S	S	*	.	H	α-helix	trans	-79.2	-36.6	175.7	0	0	0	0	0	111.1	K428 Y429 D695	A425-K428 PolarHBondContact O-N 3.18Å; A425-Y429 PolarHBondContact O-N 3.22Å; A425-D695 PolarHBondContact N-OD2 3.37Å
426	I	88.3	Confident	83.1	Confident	34 Å²	34	63.3 Å²	63.3	17%	0.174	30%	0.296	C	S	.	.	H	α-helix	trans	-60.4	-45	172.6	-69.9	-167.6	0	0	0	110.9	S424 K428 Y429 F430 D695 D698 V729 L733	S424-I426 PolarHBondContact OG-N 3.09Å; I426-K428 VanDerWaalsContact C-N 3.34Å; I426-K428 PolarHBondContact O-N 3.28Å; I426-Y429 WeakPolarHBondContact O-CB 3.23Å; I426-Y429 PolarHBondContact O-N 3.03Å; I426-Y429 VanDerWaalsContact O-N 3.13Å; I426-F430 HydrophobicContact CG2-CD2 3.65Å; I426-F430 HydrophobicContact CG2-CE2 3.86Å; I426-F430 WeakPolarHBondContact O-CD2 3.38Å; I426-F430 PolarHBondContact O-N 3.26Å; I426-D695 PolarHBondContact N-OD2 3.36Å; I426-D698 HydrophobicContact CD1-CB 3.56Å; I426-V729 HydrophobicContact CG2-CG1 3.95Å; I426-L733 HydrophobicContact CD1-CD2 4.14Å; I426-L733 HydrophobicContact CG2-CD2 4.17Å
427	V	86.1	Confident	82.1	Confident	6 Å²	6	71.3 Å²	71.3	4%	0.036	33%	0.326	C	S	.	.	H	α-helix	trans	-60.7	-44	-179.5	175	0	0	0	0	111.1	S424 Y429 F430 R431 V697 E725 V729	S424-V427 PolarHBondContact OG-N 2.97Å; V427-Y429 PolarHBondContact O-N 3.16Å; V427-F430 PolarHBondContact O-N 2.73Å; V427-R431 WeakPolarHBondContact O-CB 3.37Å; V427-R431 PolarHBondContact O-N 3.26Å; V427-V697 HydrophobicContact CG2-CB 4.48Å; V427-V697 HydrophobicContact CG2-CG2 3.8Å; V427-E725 HydrophobicContact CG1-CB 4.38Å; V427-E725 VanDerWaalsContact CG1-CD 3.4Å; V427-E725 HydrophobicContact CG1-CG 3.77Å; V427-E725 WeakPolarHBondContact CG1-OE2 3.29Å; V427-V729 HydrophobicContact CG2-CB 4.26Å; V427-V729 HydrophobicContact CG2-CG1 4.19Å
428	K	84.9	Confident	80.7	Confident	105 Å²	105	73.5 Å²	73.5	46%	0.457	33%	0.334	S	S	.	.	H	α-helix	trans	-61.5	-42.2	173.2	-68.7	-177	-174.8	-175.3	0	113	K422 S424 A425 I426 R431 E432	K422-K428 WeakPolarHBondContact O-CE 3.31Å; K422-K428 PolarHBondContact O-NZ 3.11Å; S424-K428 PolarHBondContact O-N 3.48Å; A425-K428 PolarHBondContact O-N 3.18Å; I426-K428 VanDerWaalsContact C-N 3.34Å; I426-K428 PolarHBondContact O-N 3.28Å; K428-R431 WeakPolarHBondContact O-CB 3.41Å; K428-R431 PolarHBondContact O-N 3.16Å; K428-E432 WeakPolarHBondContact O-CG 3.47Å; K428-E432 PolarHBondContact O-N 2.67Å
429	Y	85.5	Confident	79.2	Confident	132 Å²	132	71.3 Å²	71.3	52%	0.518	33%	0.333	S	S	.	.	H	α-helix	trans	-63.5	-41.9	176.1	178	-95.1	0	0	0	112.2	A425 I426 V427 E432 Q433	A425-Y429 PolarHBondContact O-N 3.22Å; I426-Y429 WeakPolarHBondContact O-CB 3.23Å; I426-Y429 PolarHBondContact O-N 3.03Å; I426-Y429 VanDerWaalsContact O-N 3.13Å; V427-Y429 PolarHBondContact O-N 3.16Å; Y429-E432 PolarHBondContact O-N 3.31Å; Y429-Q433 HydrophobicContact CD1-CG 4.09Å; Y429-Q433 HydrophobicContact CD2-CG 4.49Å; Y429-Q433 HydrophobicContact CE1-CG 3.68Å; Y429-Q433 HydrophobicContact CE2-CG 4.13Å; Y429-Q433 HydrophobicContact CG-CG 4.49Å; Y429-Q433 WeakPolarHBondContact O-CB 3.29Å; Y429-Q433 VanDerWaalsContact O-CG 3.27Å; Y429-Q433 WeakPolarHBondContact O-CG 3.2Å; Y429-Q433 PolarHBondContact O-N 2.71Å; Y429-Q433 PolarHBondContact OH-NE2 3.12Å
430	F	82.2	Confident	77.6	Confident	40 Å²	40	76.9 Å²	76.9	18%	0.175	36%	0.359	C	S	.	.	H	α-helix	trans	-64.3	-40	173.9	-94.4	-102.3	0	0	0	111.3	I426 V427 Q433 K434 V729 L733	I426-F430 HydrophobicContact CG2-CD2 3.65Å; I426-F430 HydrophobicContact CG2-CE2 3.86Å; I426-F430 WeakPolarHBondContact O-CD2 3.38Å; I426-F430 PolarHBondContact O-N 3.26Å; V427-F430 PolarHBondContact O-N 2.73Å; F430-Q433 PolarHBondContact O-N 2.76Å; F430-K434 WeakPolarHBondContact O-CB 3.43Å; F430-K434 PolarHBondContact O-N 3.09Å; F430-V729 HydrophobicContact CB-CG1 4.09Å; F430-V729 HydrophobicContact CB-CG2 3.79Å; F430-V729 HydrophobicContact CD1-CG1 4.21Å; F430-V729 HydrophobicContact CD1-CG2 4.37Å; F430-V729 HydrophobicContact CD2-CG1 3.89Å; F430-V729 HydrophobicContact CE2-CG1 4.39Å; F430-V729 HydrophobicContact CG-CG1 3.8Å; F430-V729 HydrophobicContact CG-CG2 4.17Å; F430-L733 HydrophobicContact CE2-CD1 4.29Å; F430-L733 HydrophobicContact CZ-CD1 4.12Å
431	R	76.4	Confident	76	Confident	66 Å²	66	83.8 Å²	83.8	25%	0.249	39%	0.388	C	S	.	.	H	α-helix	trans	-58.5	-54.6	172.8	-166.4	-174	-68.3	-162.5	-4.2	111.2	D307 V427 K428 Q433 K434 E435 E725	D307-R431 IonicContact OD1-CZ 3.82Å; D307-R431 IonicContact OD1-NH1 3.47Å; D307-R431 IonicContact OD1-NH2 2.72Å; D307-R431 PolarHBondContact OD1-NH2 2.92Å; V427-R431 WeakPolarHBondContact O-CB 3.37Å; V427-R431 PolarHBondContact O-N 3.26Å; K428-R431 WeakPolarHBondContact O-CB 3.41Å; K428-R431 PolarHBondContact O-N 3.16Å; R431-Q433 VanDerWaalsContact C-N 3.33Å; R431-Q433 PolarHBondContact O-N 2.77Å; R431-K434 CarbonylContact O-C 3.53Å; R431-K434 PolarHBondContact O-N 2.81Å; R431-K434 VanDerWaalsContact O-N 3.16Å; R431-E435 WeakPolarHBondContact O-CG 3.41Å; R431-E435 PolarHBondContact O-N 2.79Å; R431-E725 IonicContact CZ-OE1 3.99Å; R431-E725 IonicContact CZ-OE2 3.46Å; R431-E725 IonicContact NE-OE1 3.46Å; R431-E725 PolarHBondContact NE-OE1 3.49Å; R431-E725 IonicContact NE-OE2 2.71Å; R431-E725 PolarHBondContact NE-OE2 2.94Å; R431-E725 IonicContact NH2-OE1 3.52Å; R431-E725 IonicContact NH2-OE2 2.71Å; R431-E725 PolarHBondContact NH2-OE2 3.22Å
432	E	78.5	Confident	74.1	Confident	89 Å²	89	81.4 Å²	81.4	42%	0.416	38%	0.375	S	S	.	.	H	α-helix	trans	-58.3	-39.6	176.2	-74.9	-178.2	-145.7	0	0	112.7	K428 Y429 E435 R436	K428-E432 WeakPolarHBondContact O-CG 3.47Å; K428-E432 PolarHBondContact O-N 2.67Å; Y429-E432 PolarHBondContact O-N 3.31Å; E432-E435 WeakPolarHBondContact O-CB 3.25Å; E432-E435 PolarHBondContact O-N 3.3Å; E432-R436 WeakPolarHBondContact O-CB 3.49Å; E432-R436 VanDerWaalsContact O-CG 3.26Å; E432-R436 WeakPolarHBondContact O-CG 3.47Å; E432-R436 PolarHBondContact O-N 2.82Å; E432-R436 IonicContact OE2-NH2 2.78Å
433	Q	78	Confident	72.2	Confident	53 Å²	53	82.2 Å²	82.2	25%	0.248	38%	0.381	C	S	.	.	H	α-helix	trans	-72.3	-36.5	177	-73.8	-71	18.4	0	0	112.4	Y429 F430 R431 E435 R436 R437	Y429-Q433 HydrophobicContact CD1-CG 4.09Å; Y429-Q433 HydrophobicContact CD2-CG 4.49Å; Y429-Q433 HydrophobicContact CE1-CG 3.68Å; Y429-Q433 HydrophobicContact CE2-CG 4.13Å; Y429-Q433 HydrophobicContact CG-CG 4.49Å; Y429-Q433 WeakPolarHBondContact O-CB 3.29Å; Y429-Q433 VanDerWaalsContact O-CG 3.27Å; Y429-Q433 WeakPolarHBondContact O-CG 3.2Å; Y429-Q433 PolarHBondContact O-N 2.71Å; Y429-Q433 PolarHBondContact OH-NE2 3.12Å; F430-Q433 PolarHBondContact O-N 2.76Å; R431-Q433 VanDerWaalsContact C-N 3.33Å; R431-Q433 PolarHBondContact O-N 2.77Å; Q433-E435 VanDerWaalsContact C-N 3.29Å; Q433-R436 PolarHBondContact O-N 3.08Å; Q433-R437 VanDerWaalsContact O-CB 3.32Å; Q433-R437 WeakPolarHBondContact O-CB 3.45Å; Q433-R437 VanDerWaalsContact O-CG 3.29Å; Q433-R437 WeakPolarHBondContact O-CG 3.45Å; Q433-R437 PolarHBondContact O-N 2.83Å
434	K	71.9	Confident	70.6	Confident	78 Å²	78	91.3 Å²	91.3	34%	0.339	41%	0.409	S	S	.	.	H	α-helix	trans	-64.7	-37.6	173.2	-160.3	167.1	-176.2	167.3	0	109.1	F430 R431 R438 E728	F430-K434 WeakPolarHBondContact O-CB 3.43Å; F430-K434 PolarHBondContact O-N 3.09Å; R431-K434 CarbonylContact O-C 3.53Å; R431-K434 PolarHBondContact O-N 2.81Å; R431-K434 VanDerWaalsContact O-N 3.16Å; K434-R438 WeakPolarHBondContact O-CB 3.41Å; K434-R438 WeakPolarHBondContact O-CD 3.36Å; K434-R438 WeakPolarHBondContact O-CG 3.23Å; K434-R438 PolarHBondContact O-N 2.58Å; K434-R438 VanDerWaalsContact O-N 3.1Å; K434-R438 PolarHBondContact O-NE 3.41Å; K434-E728 IonicContact NZ-OE2 3.36Å
435	E	65.7	Low	68.8	Low	90 Å²	90	96.9 Å²	96.9	42%	0.421	44%	0.435	S	S	.	.	H	α-helix	trans	-66.4	-48	170.7	-72.7	169.6	-169.6	0	0	112.8	R431 E432 Q433 R437 R438 A439	R431-E435 WeakPolarHBondContact O-CG 3.41Å; R431-E435 PolarHBondContact O-N 2.79Å; E432-E435 WeakPolarHBondContact O-CB 3.25Å; E432-E435 PolarHBondContact O-N 3.3Å; Q433-E435 VanDerWaalsContact C-N 3.29Å; E435-R437 PolarHBondContact O-N 3.34Å; E435-R438 WeakPolarHBondContact O-CB 3.4Å; E435-R438 PolarHBondContact O-N 3.47Å; E435-R438 VanDerWaalsContact O-N 3.15Å; E435-A439 PolarHBondContact O-N 2.94Å
436	R	71	Confident	66.8	Low	137 Å²	137	98.2 Å²	98.2	52%	0.517	43%	0.432	S	S	.	.	H	α-helix	trans	-62.2	-42.9	177.4	-73	173.4	-167.3	-162.4	8.6	112.7	E432 Q433 R438 A439 Q440	E432-R436 WeakPolarHBondContact O-CB 3.49Å; E432-R436 VanDerWaalsContact O-CG 3.26Å; E432-R436 WeakPolarHBondContact O-CG 3.47Å; E432-R436 PolarHBondContact O-N 2.82Å; E432-R436 IonicContact OE2-NH2 2.78Å; Q433-R436 PolarHBondContact O-N 3.08Å; R436-R438 VanDerWaalsContact C-N 3.31Å; R436-R438 PolarHBondContact O-N 2.87Å; R436-A439 PolarHBondContact O-N 3.41Å; R436-Q440 WeakPolarHBondContact O-CG 3.29Å; R436-Q440 PolarHBondContact O-N 3.04Å
437	R	68.9	Low	64.6	Low	170 Å²	170	99.6 Å²	99.6	64%	0.642	45%	0.448	S	S	*	.	H	α-helix	trans	-63.6	-35.3	174.1	-73.2	176.2	178.3	175.6	0.7	111.6	Q433 E435 K441	Q433-R437 VanDerWaalsContact O-CB 3.32Å; Q433-R437 WeakPolarHBondContact O-CB 3.45Å; Q433-R437 VanDerWaalsContact O-CG 3.29Å; Q433-R437 WeakPolarHBondContact O-CG 3.45Å; Q433-R437 PolarHBondContact O-N 2.83Å; E435-R437 PolarHBondContact O-N 3.34Å; R437-K441 WeakPolarHBondContact O-CG 3.16Å; R437-K441 PolarHBondContact O-N 2.55Å; R437-K441 VanDerWaalsContact O-N 3.12Å
438	R	58	Low	63	Low	50 Å²	50	103.2 Å²	103.2	19%	0.189	49%	0.487	C	S	.	.	H	α-helix	trans	-66.1	-42.9	171.3	-72.6	170.7	-139.1	-170.6	7.9	111.6	D313 K434 E435 R436 K441 K442	D313-R438 VanDerWaalsContact CG-NH1 3.27Å; D313-R438 IonicContact OD1-NH1 2.69Å; D313-R438 IonicContact OD2-CZ 3.08Å; D313-R438 IonicContact OD2-NH1 2.63Å; D313-R438 PolarHBondContact OD2-NH1 2.96Å; D313-R438 IonicContact OD2-NH2 3.2Å; D313-R438 PolarHBondContact OD2-NH2 3.38Å; K434-R438 WeakPolarHBondContact O-CB 3.41Å; K434-R438 WeakPolarHBondContact O-CD 3.36Å; K434-R438 WeakPolarHBondContact O-CG 3.23Å; K434-R438 PolarHBondContact O-N 2.58Å; K434-R438 VanDerWaalsContact O-N 3.1Å; K434-R438 PolarHBondContact O-NE 3.41Å; E435-R438 WeakPolarHBondContact O-CB 3.4Å; E435-R438 PolarHBondContact O-N 3.47Å; E435-R438 VanDerWaalsContact O-N 3.15Å; R436-R438 VanDerWaalsContact C-N 3.31Å; R436-R438 PolarHBondContact O-N 2.87Å; R438-K441 PolarHBondContact O-N 2.82Å; R438-K442 WeakPolarHBondContact O-CG 3.37Å; R438-K442 PolarHBondContact O-N 2.8Å
439	A	56.6	Low	61.6	Low	49 Å²	49	101 Å²	101	41%	0.405	48%	0.482	S	S	.	.	H	α-helix	trans	-62.5	-48.5	177.4	0	0	0	0	0	111.7	E435 R436 K441 K442 E443	E435-A439 PolarHBondContact O-N 2.94Å; R436-A439 PolarHBondContact O-N 3.41Å; A439-K441 PolarHBondContact O-N 2.8Å; A439-K442 WeakPolarHBondContact O-CB 3.34Å; A439-K442 PolarHBondContact O-N 2.98Å; A439-K442 VanDerWaalsContact O-N 3.13Å; A439-E443 PolarHBondContact O-N 3.07Å
440	Q	56	Low	59.9	Low	123 Å²	123	104.6 Å²	104.6	58%	0.575	50%	0.495	S	S	*	.	H	α-helix	trans	-61	-40.8	177.3	-72.3	176.5	-5.1	0	0	112.8	R436 K442 E443 W444	R436-Q440 WeakPolarHBondContact O-CG 3.29Å; R436-Q440 PolarHBondContact O-N 3.04Å; Q440-K442 VanDerWaalsContact C-N 3.28Å; Q440-K442 PolarHBondContact O-N 2.87Å; Q440-E443 PolarHBondContact O-N 2.81Å; Q440-E443 VanDerWaalsContact O-N 3.12Å; Q440-W444 PolarHBondContact O-N 3Å
441	K	55	Low	58.7	Low	151 Å²	151	107.4 Å²	107.4	66%	0.657	51%	0.51	S	S	*	.	H	α-helix	trans	-62.4	-33.8	175.6	-79.8	-171	174.2	-168.4	0	113	R437 R438 A439 E443 W444 Q445	R437-K441 WeakPolarHBondContact O-CG 3.16Å; R437-K441 PolarHBondContact O-N 2.55Å; R437-K441 VanDerWaalsContact O-N 3.12Å; R438-K441 PolarHBondContact O-N 2.82Å; A439-K441 PolarHBondContact O-N 2.8Å; K441-E443 PolarHBondContact O-N 2.99Å; K441-W444 PolarHBondContact O-N 2.85Å; K441-Q445 PolarHBondContact O-N 2.76Å
442	K	46.5	Very low	57.8	Low	103 Å²	103	104.3 Å²	104.3	45%	0.448	50%	0.5	S	S	.	.	H	α-helix	trans	-68	-20.6	175.6	-72.5	177.8	178.6	-177.5	0	113.4	R438 A439 Q440 E965	R438-K442 WeakPolarHBondContact O-CG 3.37Å; R438-K442 PolarHBondContact O-N 2.8Å; A439-K442 WeakPolarHBondContact O-CB 3.34Å; A439-K442 PolarHBondContact O-N 2.98Å; A439-K442 VanDerWaalsContact O-N 3.13Å; Q440-K442 VanDerWaalsContact C-N 3.28Å; Q440-K442 PolarHBondContact O-N 2.87Å; K442-E965 WeakPolarHBondContact CE-OE1 3.06Å; K442-E965 IonicContact NZ-OE1 3.15Å; K442-E965 PolarHBondContact NZ-OE1 2.87Å; K442-E965 IonicContact NZ-OE2 3.41Å; K442-E965 PolarHBondContact NZ-OE2 2.91Å
443	E	44.5	Very low	56.9	Low	158 Å²	158	106.9 Å²	106.9	74%	0.738	51%	0.511	S	S	*	.	H	α-helix	trans	-89.3	-18.7	-179.8	-156.7	166.2	-151	0	0	113	A439 Q440 K441	A439-E443 PolarHBondContact O-N 3.07Å; Q440-E443 PolarHBondContact O-N 2.81Å; Q440-E443 VanDerWaalsContact O-N 3.12Å; K441-E443 PolarHBondContact O-N 2.99Å
444	W	52.7	Low	56.1	Low	212 Å²	212	110.5 Å²	110.5	80%	0.803	54%	0.537	S	S	*	.	H	α-helix	trans	-106	-10.6	-177.2	-76.8	70.6	0	0	0	115	Q440 K441 L446	Q440-W444 PolarHBondContact O-N 3Å; K441-W444 PolarHBondContact O-N 2.85Å; W444-L446 PolarHBondContact O-N 3.36Å
445	Q	49.2	Very low	55.4	Low	119 Å²	119	113.6 Å²	113.6	56%	0.556	55%	0.554	S	S	*	*			trans	-81.9	81.1	174.9	-74.7	-177.3	-36	0	0	111.4	K441	K441-Q445 PolarHBondContact O-N 2.76Å
446	L	47.9	Very low	54.5	Low	98 Å²	98	112 Å²	112	51%	0.513	56%	0.563	S	S	.	*			trans	-70.5	-29.1	173.4	-82.2	147.9	0	0	0	113.1	W444 T449 I451 G452	W444-L446 PolarHBondContact O-N 3.36Å; L446-T449 PolarHBondContact O-N 3.43Å; L446-T449 PolarHBondContact O-OG1 3.39Å; L446-I451 HydrophobicContact CD2-CG2 3.61Å; L446-G452 WeakPolarHBondContact O-CA 3.17Å; L446-G452 PolarHBondContact O-N 3.32Å
447	A	41.5	Very low	53.3	Low	62 Å²	62	110.6 Å²	110.6	51%	0.512	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.3	132	174.4	0	0	0	0	0	111	I457	A447-I457 HydrophobicContact CB-CD1 4.41Å
448	G	52.4	Low	51.9	Low	82 Å²	82	111.9 Å²	111.9	85%	0.845	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	91.4	-11.3	-175	0	0	0	0	0	115
449	T	55.1	Low	50.9	Low	58 Å²	58	113.3 Å²	113.3	36%	0.356	60%	0.597	S	S	.	*	S	Bend	trans	-82.2	161	168	70.7	0	0	0	0	111	L446 I451 G452 E453	L446-T449 PolarHBondContact O-N 3.43Å; L446-T449 PolarHBondContact O-OG1 3.39Å; T449-I451 PolarHBondContact O-N 2.72Å; T449-I451 PolarHBondContact OG1-N 3.23Å; T449-G452 WeakPolarHBondContact O-CA 3.42Å; T449-G452 PolarHBondContact O-N 2.76Å; T449-G452 PolarHBondContact OG1-N 2.97Å; T449-G452 VanDerWaalsContact OG1-N 3.16Å; T449-E453 PolarHBondContact O-N 3.01Å
450	R	50.8	Low	49.9	Very low	209 Å²	209	116.9 Å²	116.9	79%	0.789	62%	0.616	S	S	*	*	H	α-helix	trans	-54.7	-24.2	168.4	-81.3	-175	172.5	-174.7	-2.2	113.7	V454	R450-V454 WeakPolarHBondContact O-CB 3.22Å; R450-V454 WeakPolarHBondContact O-CG2 3.35Å; R450-V454 PolarHBondContact O-N 3.05Å
451	I	56.1	Low	48.7	Very low	98 Å²	98	120.4 Å²	120.4	50%	0.503	63%	0.632	S	S	.	*	H	α-helix	trans	-74.8	-36.8	172.7	-83.9	170.1	0	0	0	111	L446 T449 V454 M455	L446-I451 HydrophobicContact CD2-CG2 3.61Å; T449-I451 PolarHBondContact O-N 2.72Å; T449-I451 PolarHBondContact OG1-N 3.23Å; I451-V454 PolarHBondContact O-N 3.33Å; I451-M455 WeakPolarHBondContact O-CB 3.46Å; I451-M455 WeakPolarHBondContact O-CG 3.47Å; I451-M455 PolarHBondContact O-N 2.87Å
452	G	57.8	Low	47.4	Very low	2 Å²	2	119.6 Å²	119.6	2%	0.021	63%	0.631	C	S	.	*	H	α-helix	trans	-64.4	-40	170.5	0	0	0	0	0	113.1	L446 T449 M455 G456 I457	L446-G452 WeakPolarHBondContact O-CA 3.17Å; L446-G452 PolarHBondContact O-N 3.32Å; T449-G452 WeakPolarHBondContact O-CA 3.42Å; T449-G452 PolarHBondContact O-N 2.76Å; T449-G452 PolarHBondContact OG1-N 2.97Å; T449-G452 VanDerWaalsContact OG1-N 3.16Å; G452-M455 CarbonylContact O-C 3.59Å; G452-M455 PolarHBondContact O-N 2.86Å; G452-G456 PolarHBondContact O-N 2.95Å; G452-I457 PolarHBondContact O-N 3.3Å
453	E	59.1	Low	46.7	Very low	142 Å²	142	124 Å²	124	66%	0.664	65%	0.653	S	S	*	*	H	α-helix	trans	-61	-46.3	171	-67.2	179.9	137.1	0	0	111.3	T449 M455 G456	T449-E453 PolarHBondContact O-N 3.01Å; E453-M455 VanDerWaalsContact C-N 3.28Å; E453-M455 PolarHBondContact O-N 2.91Å; E453-G456 PolarHBondContact O-N 3.38Å; E453-G456 VanDerWaalsContact O-N 3.11Å
454	V	61.5	Low	46	Very low	130 Å²	130	121.8 Å²	121.8	79%	0.788	65%	0.646	S	S	*	*	H	α-helix	trans	-66.7	-26.4	176.8	168.2	0	0	0	0	112.7	R450 I451 G456	R450-V454 WeakPolarHBondContact O-CB 3.22Å; R450-V454 WeakPolarHBondContact O-CG2 3.35Å; R450-V454 PolarHBondContact O-N 3.05Å; I451-V454 PolarHBondContact O-N 3.33Å; V454-G456 VanDerWaalsContact C-N 3.33Å
455	M	57.6	Low	44.8	Very low	142 Å²	142	119.6 Å²	119.6	70%	0.7	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	1.5	172.9	-75.1	-166.1	173.6	0	0	114.3	I451 G452 E453 I457	I451-M455 WeakPolarHBondContact O-CB 3.46Å; I451-M455 WeakPolarHBondContact O-CG 3.47Å; I451-M455 PolarHBondContact O-N 2.87Å; G452-M455 CarbonylContact O-C 3.59Å; G452-M455 PolarHBondContact O-N 2.86Å; E453-M455 VanDerWaalsContact C-N 3.28Å; E453-M455 PolarHBondContact O-N 2.91Å; M455-I457 PolarHBondContact O-N 3.09Å
456	G	45.5	Very low	43.8	Very low	58 Å²	58	121.6 Å²	121.6	60%	0.598	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	76	20.7	169.8	0	0	0	0	0	115.8	G452 E453 V454 K458	G452-G456 PolarHBondContact O-N 2.95Å; E453-G456 PolarHBondContact O-N 3.38Å; E453-G456 VanDerWaalsContact O-N 3.11Å; V454-G456 VanDerWaalsContact C-N 3.33Å; G456-K458 PolarHBondContact O-N 3.12Å; G456-K458 VanDerWaalsContact O-N 3.13Å
457	I	47.3	Very low	43	Very low	106 Å²	106	123.2 Å²	123.2	54%	0.544	67%	0.667	S	S	.	*			trans	-76.2	99.8	174.7	-55.4	174.7	0	0	0	108.4	A447 G452 M455	A447-I457 HydrophobicContact CB-CD1 4.41Å; G452-I457 PolarHBondContact O-N 3.3Å; M455-I457 PolarHBondContact O-N 3.09Å
458	K	38.6	Very low	42.5	Very low	197 Å²	197	130 Å²	130	86%	0.857	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-72.3	133.7	174.5	-71.5	-173.2	174	-173.5	0	110.9	G456	G456-K458 PolarHBondContact O-N 3.12Å; G456-K458 VanDerWaalsContact O-N 3.13Å
459	A	37.1	Very low	41.5	Very low	81 Å²	81	136 Å²	136	67%	0.669	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-74.6	150	159.5	0	0	0	0	0	109.8
460	P	34.7	Very low	40.4	Very low	124 Å²	124	138.3 Å²	138.3	81%	0.805	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-63	135.8	167.2	-17.5	31.3	0	0	0	110.5
461	E	31.6	Very low	39.8	Very low	196 Å²	196	135.3 Å²	135.3	92%	0.916	70%	0.704	S	S	*	*			trans	-106.1	114	168.7	-71	-174.8	154.5	0	0	108.3
462	E	28	Very low	38.9	Very low	134 Å²	134	141.5 Å²	141.5	63%	0.626	72%	0.721	S	S	*	*			trans	-108.9	141.7	175.4	-64.2	-156.2	130.2	0	0	112.4
463	Q	32.1	Very low	37.8	Very low	196 Å²	196	148.5 Å²	148.5	92%	0.916	76%	0.758	S	S	*	*			trans	-106.9	102.1	178	-75.2	-175.7	-8.1	0	0	110.4
464	D	28.7	Very low	36.8	Very low	111 Å²	111	144.2 Å²	144.2	59%	0.594	75%	0.747	S	S	*	*			trans	-79.6	122.8	-176.1	-115.5	-11.3	0	0	0	113.1	W466	D464-W466 PolarHBondContact OD2-NE1 3.47Å
465	N	29.1	Very low	36.1	Very low	166 Å²	166	144.2 Å²	144.2	89%	0.888	74%	0.739	S	S	*	*			trans	-115.2	97.9	171.8	-116	-18.1	0	0	0	109.5
466	W	26.7	Very low	35.4	Very low	162 Å²	162	140.8 Å²	140.8	61%	0.614	73%	0.726	S	S	*	*			trans	-87.9	131.7	-172.7	-76.6	82.6	0	0	0	113.9	D464	D464-W466 PolarHBondContact OD2-NE1 3.47Å
467	T	32.2	Very low	35.3	Very low	132 Å²	132	142 Å²	142	81%	0.81	71%	0.714	S	S	*	*			trans	-111.3	133.5	166.9	40.5	0	0	0	0	112.8	K469	T467-K469 PolarHBondContact O-N 2.95Å
468	E	30.5	Very low	35.1	Very low	203 Å²	203	139.4 Å²	139.4	95%	0.949	71%	0.709	S	S	*	*			trans	-92	19.6	-147.3	-136.5	-179.9	-171.8	0	0	117.4
469	K	30.9	Very low	35.3	Very low	210 Å²	210	134.7 Å²	134.7	91%	0.913	69%	0.694	S	S	*	*			trans	-113.5	-1.4	-154.3	-94.8	-177.2	177.7	177.6	0	120.9	T467	T467-K469 PolarHBondContact O-N 2.95Å
470	S	31.7	Very low	35.5	Very low	106 Å²	106	136.8 Å²	136.8	74%	0.741	69%	0.688	S	S	*	*	S	Bend	trans	-106.3	-7.3	-169.2	53.5	0	0	0	0	117.4
471	H	39.5	Very low	36.3	Very low	146 Å²	146	133.5 Å²	133.5	68%	0.676	67%	0.665	S	S	*	*			trans	-101.5	6.3	-158	-117	-63.7	0	0	0	118.1
472	R	36.1	Very low	36.8	Very low	228 Å²	228	125 Å²	125	86%	0.86	63%	0.63	S	S	*	*	S	Bend	trans	-86.4	-24.4	-169.5	-83.4	-172	173.9	-177.5	0.6	116.3	A474	R472-A474 PolarHBondContact O-N 2.92Å
473	D	35.4	Very low	37.5	Very low	148 Å²	148	125.8 Å²	125.8	79%	0.791	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	4.3	-163.8	-54.1	-32.6	0	0	0	114.6
474	A	38.4	Very low	38.1	Very low	53 Å²	53	121.7 Å²	121.7	44%	0.438	62%	0.621	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.8	-1.6	-168	0	0	0	0	0	116.3	R472 K480	R472-A474 PolarHBondContact O-N 2.92Å; A474-K480 WeakPolarHBondContact O-CE 3.35Å; A474-K480 PolarHBondContact O-NZ 3.34Å; A474-K480 VanDerWaalsContact O-NZ 3.09Å
475	Q	45.8	Very low	38.9	Very low	130 Å²	130	123.9 Å²	123.9	61%	0.607	63%	0.625	S	S	*	*			trans	-99.5	-18.3	-162.6	-65.8	-158.6	-96.8	0	0	116.8	F477 R1013	Q475-F477 PolarHBondContact O-N 3Å; Q475-R1013 VanDerWaalsContact CD-NH1 3.33Å
476	T	44.2	Very low	39.5	Very low	70 Å²	70	121 Å²	121	43%	0.429	62%	0.617	S	S	.	*			trans	-85.3	113.6	-177.4	-8.6	0	0	0	0	111.7	A478 D479 K480	T476-A478 HydrophobicContact CG2-CB 4.3Å; T476-A478 PolarHBondContact O-N 3.49Å; T476-D479 WeakPolarHBondContact CB-OD2 3.47Å; T476-D479 PolarHBondContact O-N 3.32Å; T476-D479 VanDerWaalsContact O-N 3.14Å; T476-D479 PolarHBondContact OG1-OD2 3.5Å; T476-K480 PolarHBondContact O-N 3.06Å
477	F	42.1	Very low	40.4	Very low	82 Å²	82	120 Å²	120	36%	0.36	62%	0.62	S	S	.	*	H	α-helix	trans	-59.8	-24.9	172.2	176.9	-109.1	0	0	0	112.7	Q475 V481	Q475-F477 PolarHBondContact O-N 3Å; F477-V481 HydrophobicContact CD2-CG2 4.34Å; F477-V481 HydrophobicContact CE2-CG2 4.01Å; F477-V481 HydrophobicContact CZ-CG2 4.12Å; F477-V481 WeakPolarHBondContact O-CG2 3.39Å; F477-V481 PolarHBondContact O-N 3.49Å
478	A	44.3	Very low	41.1	Very low	53 Å²	53	116.2 Å²	116.2	44%	0.438	60%	0.602	S	S	.	*	H	α-helix	trans	-66	-41.6	174.2	0	0	0	0	0	112.8	T476 G482	T476-A478 HydrophobicContact CG2-CB 4.3Å; T476-A478 PolarHBondContact O-N 3.49Å; A478-G482 PolarHBondContact O-N 3.47Å
479	D	41.8	Very low	42	Very low	98 Å²	98	109.3 Å²	109.3	52%	0.524	57%	0.573	S	S	.	*	H	α-helix	trans	-76.5	-42.3	-172.4	-58.9	-30.2	0	0	0	111.2	T476 V481 G482 D483	T476-D479 WeakPolarHBondContact CB-OD2 3.47Å; T476-D479 PolarHBondContact O-N 3.32Å; T476-D479 VanDerWaalsContact O-N 3.14Å; T476-D479 PolarHBondContact OG1-OD2 3.5Å; D479-V481 VanDerWaalsContact C-N 3.34Å; D479-V481 PolarHBondContact O-N 2.96Å; D479-G482 VanDerWaalsContact O-CA 3.28Å; D479-G482 WeakPolarHBondContact O-CA 3.5Å; D479-G482 PolarHBondContact O-N 3.18Å; D479-D483 PolarHBondContact O-N 3.14Å
480	K	42.2	Very low	43	Very low	125 Å²	125	100.5 Å²	100.5	54%	0.543	54%	0.538	S	S	.	.	H	α-helix	trans	-63.4	-35.9	176.3	-70.7	-176.3	175.9	173.8	0	113.3	A474 T476 G482 M484	A474-K480 WeakPolarHBondContact O-CE 3.35Å; A474-K480 PolarHBondContact O-NZ 3.34Å; A474-K480 VanDerWaalsContact O-NZ 3.09Å; T476-K480 PolarHBondContact O-N 3.06Å; K480-G482 VanDerWaalsContact C-N 3.25Å; K480-M484 VanDerWaalsContact O-CG 3.31Å; K480-M484 WeakPolarHBondContact O-CG 3.5Å
481	V	50.1	Low	43.9	Very low	54 Å²	54	100.8 Å²	100.8	33%	0.327	53%	0.528	S	S	.	.	H	α-helix	trans	-77.3	-17.1	172.1	-177.8	0	0	0	0	111.4	F477 D479	F477-V481 HydrophobicContact CD2-CG2 4.34Å; F477-V481 HydrophobicContact CE2-CG2 4.01Å; F477-V481 HydrophobicContact CZ-CG2 4.12Å; F477-V481 WeakPolarHBondContact O-CG2 3.39Å; F477-V481 PolarHBondContact O-N 3.49Å; D479-V481 VanDerWaalsContact C-N 3.34Å; D479-V481 PolarHBondContact O-N 2.96Å
482	G	43.9	Very low	44.5	Very low	17 Å²	17	98.1 Å²	98.1	18%	0.175	51%	0.514	C	S	.	.	H	α-helix	trans	-67.2	-32.6	177.6	0	0	0	0	0	114.6	A478 D479 K480 K485	A478-G482 PolarHBondContact O-N 3.47Å; D479-G482 VanDerWaalsContact O-CA 3.28Å; D479-G482 WeakPolarHBondContact O-CA 3.5Å; D479-G482 PolarHBondContact O-N 3.18Å; K480-G482 VanDerWaalsContact C-N 3.25Å; G482-K485 WeakPolarHBondContact O-CD 3Å; G482-K485 WeakPolarHBondContact O-CE 3.21Å; G482-K485 WeakPolarHBondContact O-CG 3.29Å; G482-K485 PolarHBondContact O-NZ 3.47Å
483	D	41.4	Very low	45.4	Very low	152 Å²	152	88.3 Å²	88.3	81%	0.813	48%	0.482	S	S	*	.	H	α-helix	trans	-102	-21.3	-177.9	-74.2	-22.3	0	0	0	114.2	D479 K485	D479-D483 PolarHBondContact O-N 3.14Å; D483-K485 PolarHBondContact O-N 3.04Å
484	M	45.4	Very low	46.3	Very low	110 Å²	110	85.6 Å²	85.6	54%	0.542	47%	0.471	S	S	.	.			trans	-76.9	24.9	-179.9	-60.6	178.2	82	0	0	114.1	K480 S486 M766	K480-M484 VanDerWaalsContact O-CG 3.31Å; K480-M484 WeakPolarHBondContact O-CG 3.5Å; M484-S486 PolarHBondContact O-N 3.29Å; M484-M766 HydrophobicContact CE-CE 3.84Å; M484-M766 HydrophobicContact CE-SD 4.13Å
485	K	45.1	Very low	47.1	Very low	156 Å²	156	91.5 Å²	91.5	68%	0.678	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-11.9	-162.4	-79.2	178.8	-179.7	132.9	0	116.5	G482 D483	G482-K485 WeakPolarHBondContact O-CD 3Å; G482-K485 WeakPolarHBondContact O-CE 3.21Å; G482-K485 WeakPolarHBondContact O-CG 3.29Å; G482-K485 PolarHBondContact O-NZ 3.47Å; D483-K485 PolarHBondContact O-N 3.04Å
486	S	42.4	Very low	47.8	Very low	105 Å²	105	87.7 Å²	87.7	73%	0.734	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-19.1	-169.8	38.1	0	0	0	0	116	M484	M484-S486 PolarHBondContact O-N 3.29Å
487	E	45.3	Very low	49.1	Very low	142 Å²	142	88.3 Å²	88.3	66%	0.664	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.5	-19.7	-160.6	-64.7	179	164.4	0	0	115.5	V489	E487-V489 PolarHBondContact O-N 2.97Å
488	A	47.3	Very low	50.6	Low	52 Å²	52	87.4 Å²	87.4	43%	0.43	47%	0.465	S	S	.	.			trans	-82.1	-2.1	-169.3	0	0	0	0	0	115.8
489	V	49.2	Very low	52	Low	59 Å²	59	89.1 Å²	89.1	36%	0.358	47%	0.47	S	S	.	.			trans	-89.6	121.7	-164.2	-171.4	0	0	0	0	112.1	E487 A493 T494 K767	E487-V489 PolarHBondContact O-N 2.97Å; V489-A493 HydrophobicContact CG1-CB 3.43Å; V489-A493 VanDerWaalsContact CG1-CB 3.43Å; V489-T494 HydrophobicContact CB-CG2 3.7Å; V489-T494 HydrophobicContact CG1-CG2 3.56Å; V489-K767 WeakPolarHBondContact O-CE 3.16Å; V489-K767 PolarHBondContact O-NZ 3.37Å
490	S	51	Low	53.7	Low	25 Å²	25	88.3 Å²	88.3	18%	0.175	46%	0.463	C	S	.	.			trans	-48.6	147.8	171.9	175.7	0	0	0	0	112.8	F492 A493 T494	S490-F492 PolarHBondContact O-N 3.28Å; S490-F492 VanDerWaalsContact O-N 3.14Å; S490-F492 PolarHBondContact OG-N 3.23Å; S490-A493 CarbonylContact O-C 3.51Å; S490-A493 WeakPolarHBondContact O-CA 3.48Å; S490-A493 PolarHBondContact O-N 3.25Å; S490-T494 PolarHBondContact O-N 2.89Å; S490-T494 PolarHBondContact O-OG1 3.29Å
491	E	50.2	Low	55.2	Low	111 Å²	111	83.4 Å²	83.4	52%	0.519	44%	0.442	S	S	.	.	H	α-helix	trans	-55	-33	173.7	-87.8	-142.4	113.1	0	0	112.7	A493 T494 R495	E491-A493 VanDerWaalsContact C-N 3.29Å; E491-A493 PolarHBondContact O-N 3.25Å; E491-T494 WeakPolarHBondContact CA-OG1 3.43Å; E491-T494 PolarHBondContact O-OG1 2.89Å; E491-R495 VanDerWaalsContact O-CB 3.32Å; E491-R495 WeakPolarHBondContact O-CB 3.27Å; E491-R495 WeakPolarHBondContact O-CG 3.26Å; E491-R495 PolarHBondContact O-N 2.85Å; E491-R495 VanDerWaalsContact O-N 3.11Å; E491-R495 IonicContact OE1-CZ 3.48Å; E491-R495 IonicContact OE1-NE 3.22Å; E491-R495 PolarHBondContact OE1-NE 3.36Å; E491-R495 IonicContact OE1-NH2 2.76Å; E491-R495 PolarHBondContact OE1-NH2 2.93Å; E491-R495 IonicContact OE2-CZ 3.39Å; E491-R495 IonicContact OE2-NE 3.3Å; E491-R495 IonicContact OE2-NH2 2.7Å; E491-R495 PolarHBondContact OE2-NH2 3.12Å
492	F	52.8	Low	56.6	Low	90 Å²	90	82.8 Å²	82.8	40%	0.395	43%	0.434	S	S	.	.	H	α-helix	trans	-65.5	-35.1	175.1	-178.5	-90.2	0	0	0	112.1	S490 K496 Q501 Y504	S490-F492 PolarHBondContact O-N 3.28Å; S490-F492 VanDerWaalsContact O-N 3.14Å; S490-F492 PolarHBondContact OG-N 3.23Å; F492-K496 HydrophobicContact CE2-CD 4.29Å; F492-K496 HydrophobicContact CZ-CD 4.26Å; F492-Q501 HydrophobicContact CE1-CG 4.43Å; F492-Y504 HydrophobicContact CZ-CD2 4.39Å; F492-Y504 HydrophobicContact CZ-CG 4.24Å
493	A	56.1	Low	58.4	Low	23 Å²	23	87 Å²	87	19%	0.19	45%	0.449	C	S	.	.	H	α-helix	trans	-89	-18.4	-178	0	0	0	0	0	113.4	V489 S490 E491 Q501	V489-A493 HydrophobicContact CG1-CB 3.43Å; V489-A493 VanDerWaalsContact CG1-CB 3.43Å; S490-A493 CarbonylContact O-C 3.51Å; S490-A493 WeakPolarHBondContact O-CA 3.48Å; S490-A493 PolarHBondContact O-N 3.25Å; E491-A493 VanDerWaalsContact C-N 3.29Å; E491-A493 PolarHBondContact O-N 3.25Å; A493-Q501 PolarHBondContact O-NE2 3.14Å
494	T	53.3	Low	60.2	Low	90 Å²	90	86.4 Å²	86.4	55%	0.552	44%	0.437	S	S	*	.	H	α-helix	trans	-83.3	-32.8	169.1	57	0	0	0	0	112.8	V489 S490 E491	V489-T494 HydrophobicContact CB-CG2 3.7Å; V489-T494 HydrophobicContact CG1-CG2 3.56Å; S490-T494 PolarHBondContact O-N 2.89Å; S490-T494 PolarHBondContact O-OG1 3.29Å; E491-T494 WeakPolarHBondContact CA-OG1 3.43Å; E491-T494 PolarHBondContact O-OG1 2.89Å
495	R	55.1	Low	61.9	Low	178 Å²	178	83.1 Å²	83.1	67%	0.672	42%	0.421	S	S	*	.	S	Bend	trans	-80.5	-11.5	-177	-70.1	176.6	-173.6	-162.4	7.9	114.9	E491	E491-R495 VanDerWaalsContact O-CB 3.32Å; E491-R495 WeakPolarHBondContact O-CB 3.27Å; E491-R495 WeakPolarHBondContact O-CG 3.26Å; E491-R495 PolarHBondContact O-N 2.85Å; E491-R495 VanDerWaalsContact O-N 3.11Å; E491-R495 IonicContact OE1-CZ 3.48Å; E491-R495 IonicContact OE1-NE 3.22Å; E491-R495 PolarHBondContact OE1-NE 3.36Å; E491-R495 IonicContact OE1-NH2 2.76Å; E491-R495 PolarHBondContact OE1-NH2 2.93Å; E491-R495 IonicContact OE2-CZ 3.39Å; E491-R495 IonicContact OE2-NE 3.3Å; E491-R495 IonicContact OE2-NH2 2.7Å; E491-R495 PolarHBondContact OE2-NH2 3.12Å
496	K	60.3	Low	63.6	Low	50 Å²	50	76.6 Å²	76.6	22%	0.217	40%	0.395	C	S	.	.	S	Bend	trans	-134.1	139	-173.9	-72.6	175.9	178.4	172.5	0	111.4	F492 E500 Q501 Y504	F492-K496 HydrophobicContact CE2-CD 4.29Å; F492-K496 HydrophobicContact CZ-CD 4.26Å; K496-E500 WeakPolarHBondContact CA-OE2 3.42Å; K496-E500 HydrophobicContact CB-CB 4.13Å; K496-Q501 HydrophobicContact CB-CG 4.2Å; K496-Q501 PolarHBondContact O-NE2 2.8Å; K496-Y504 HydrophobicContact CD-CD2 3.89Å; K496-Y504 HydrophobicContact CD-CE2 3.64Å; K496-Y504 PolarHBondContact NZ-OH 3.39Å
497	T	72.7	Confident	65.7	Low	83 Å²	83	71.6 Å²	71.6	51%	0.509	36%	0.36	S	S	.	.			trans	-59.7	154.6	173.1	63	0	0	0	0	111.1	V499 E500 Q501	T497-V499 PolarHBondContact O-N 2.82Å; T497-E500 WeakPolarHBondContact CB-OE2 3.31Å; T497-E500 PolarHBondContact N-OE2 3.32Å; T497-E500 PolarHBondContact O-N 3.34Å; T497-E500 VanDerWaalsContact O-N 3.07Å; T497-E500 VanDerWaalsContact OG1-CD 3.28Å; T497-E500 VanDerWaalsContact OG1-CG 3.24Å; T497-E500 WeakPolarHBondContact OG1-CG 3.49Å; T497-E500 PolarHBondContact OG1-N 3.39Å; T497-E500 PolarHBondContact OG1-OE2 2.84Å; T497-Q501 WeakPolarHBondContact O-CG 3.31Å; T497-Q501 PolarHBondContact O-N 3.19Å
498	I	72.2	Confident	67.7	Low	62 Å²	62	68.6 Å²	68.6	32%	0.318	34%	0.344	S	S	.	.	H	α-helix	trans	-56.5	-36.3	178	-64.1	172.9	0	0	0	111.2	Q501 R502 E573	I498-Q501 WeakPolarHBondContact O-CB 3.25Å; I498-Q501 PolarHBondContact O-N 3.49Å; I498-R502 WeakPolarHBondContact O-CG 3.23Å; I498-R502 PolarHBondContact O-N 3.4Å; I498-E573 HydrophobicContact CG2-CB 4.3Å; I498-E573 HydrophobicContact CG2-CG 3.84Å
499	V	74.6	Confident	69.6	Low	89 Å²	89	70.5 Å²	70.5	54%	0.539	36%	0.355	S	S	.	.	H	α-helix	trans	-64.7	-45.4	176.4	-178.9	0	0	0	0	111.5	T497 R502 Q503	T497-V499 PolarHBondContact O-N 2.82Å; V499-R502 PolarHBondContact O-N 3.49Å; V499-Q503 WeakPolarHBondContact O-CG 3.33Å; V499-Q503 PolarHBondContact O-N 3.27Å
500	E	78.1	Confident	71.6	Confident	81 Å²	81	68.9 Å²	68.9	38%	0.379	35%	0.345	S	S	.	.	H	α-helix	trans	-62.4	-42.7	173.9	-71.7	163.5	141.9	0	0	111.3	K496 T497 R502 Q503 Y504	K496-E500 WeakPolarHBondContact CA-OE2 3.42Å; K496-E500 HydrophobicContact CB-CB 4.13Å; T497-E500 WeakPolarHBondContact CB-OE2 3.31Å; T497-E500 PolarHBondContact N-OE2 3.32Å; T497-E500 PolarHBondContact O-N 3.34Å; T497-E500 VanDerWaalsContact O-N 3.07Å; T497-E500 VanDerWaalsContact OG1-CD 3.28Å; T497-E500 VanDerWaalsContact OG1-CG 3.24Å; T497-E500 WeakPolarHBondContact OG1-CG 3.49Å; T497-E500 PolarHBondContact OG1-N 3.39Å; T497-E500 PolarHBondContact OG1-OE2 2.84Å; E500-R502 VanDerWaalsContact C-N 3.3Å; E500-R502 PolarHBondContact O-N 3.1Å; E500-Q503 WeakPolarHBondContact O-CB 3.45Å; E500-Q503 PolarHBondContact O-N 2.81Å; E500-Y504 WeakPolarHBondContact O-CD2 3.5Å; E500-Y504 PolarHBondContact O-N 2.79Å
501	Q	72.8	Confident	73.5	Confident	22 Å²	22	71.4 Å²	71.4	10%	0.103	35%	0.351	C	S	.	.	H	α-helix	trans	-56	-44.8	175.4	-66.5	171.9	32.7	0	0	111.4	F492 A493 K496 T497 I498 Q503 Y504 R569	F492-Q501 HydrophobicContact CE1-CG 4.43Å; A493-Q501 PolarHBondContact O-NE2 3.14Å; K496-Q501 HydrophobicContact CB-CG 4.2Å; K496-Q501 PolarHBondContact O-NE2 2.8Å; T497-Q501 WeakPolarHBondContact O-CG 3.31Å; T497-Q501 PolarHBondContact O-N 3.19Å; I498-Q501 WeakPolarHBondContact O-CB 3.25Å; I498-Q501 PolarHBondContact O-N 3.49Å; Q501-Q503 VanDerWaalsContact C-N 3.33Å; Q501-Q503 PolarHBondContact O-N 3.43Å; Q501-Y504 PolarHBondContact O-N 3.02Å; Q501-R569 VanDerWaalsContact OE1-NH2 3.17Å
502	R	79.2	Confident	75.5	Confident	41 Å²	41	71.8 Å²	71.8	16%	0.155	36%	0.361	C	S	.	.	H	α-helix	trans	-60.9	-39.1	174.7	-70.7	177.6	66.4	-168.9	-3.4	112.1	I498 V499 E500 Y504 L505 E544	I498-R502 WeakPolarHBondContact O-CG 3.23Å; I498-R502 PolarHBondContact O-N 3.4Å; V499-R502 PolarHBondContact O-N 3.49Å; E500-R502 VanDerWaalsContact C-N 3.3Å; E500-R502 PolarHBondContact O-N 3.1Å; R502-Y504 PolarHBondContact O-N 2.91Å; R502-L505 WeakPolarHBondContact O-CB 3.48Å; R502-L505 PolarHBondContact O-N 3.11Å; R502-E544 IonicContact CZ-OE1 3.43Å; R502-E544 IonicContact NH1-OE1 3.01Å; R502-E544 IonicContact NH2-OE1 3.23Å; R502-E544 PolarHBondContact NH2-OE1 2.89Å
503	Q	81.6	Confident	77.3	Confident	105 Å²	105	70.8 Å²	70.8	49%	0.491	37%	0.365	S	S	.	.	H	α-helix	trans	-68.9	-28.6	178.3	-69	176	9.5	0	0	113.8	V499 E500 Q501 L505 F508	V499-Q503 WeakPolarHBondContact O-CG 3.33Å; V499-Q503 PolarHBondContact O-N 3.27Å; E500-Q503 WeakPolarHBondContact O-CB 3.45Å; E500-Q503 PolarHBondContact O-N 2.81Å; Q501-Q503 VanDerWaalsContact C-N 3.33Å; Q501-Q503 PolarHBondContact O-N 3.43Å; Q503-L505 VanDerWaalsContact C-N 3.27Å; Q503-L505 PolarHBondContact O-N 3Å; Q503-F508 HydrophobicContact CB-CD1 4.26Å; Q503-F508 HydrophobicContact CB-CE1 4.26Å; Q503-F508 HydrophobicContact CG-CD1 4.33Å; Q503-F508 HydrophobicContact CG-CD2 4.46Å; Q503-F508 HydrophobicContact CG-CE1 3.92Å; Q503-F508 HydrophobicContact CG-CE2 4.06Å; Q503-F508 HydrophobicContact CG-CZ 3.78Å
504	Y	80	Confident	79.1	Confident	141 Å²	141	69.7 Å²	69.7	55%	0.553	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-11.4	175.1	-84.3	-74.6	0	0	0	114.1	F492 K496 E500 Q501 R502	F492-Y504 HydrophobicContact CZ-CD2 4.39Å; F492-Y504 HydrophobicContact CZ-CG 4.24Å; K496-Y504 HydrophobicContact CD-CD2 3.89Å; K496-Y504 HydrophobicContact CD-CE2 3.64Å; K496-Y504 PolarHBondContact NZ-OH 3.39Å; E500-Y504 WeakPolarHBondContact O-CD2 3.5Å; E500-Y504 PolarHBondContact O-N 2.79Å; Q501-Y504 PolarHBondContact O-N 3.02Å; R502-Y504 PolarHBondContact O-N 2.91Å
505	L	80.6	Confident	80.9	Confident	40 Å²	40	66.2 Å²	66.2	21%	0.209	33%	0.334	C	S	.	.	S	Bend	trans	-73.9	133	179.2	-64.4	172.5	0	0	0	111	R502 Q503 V507 F508 Q537	R502-L505 WeakPolarHBondContact O-CB 3.48Å; R502-L505 PolarHBondContact O-N 3.11Å; Q503-L505 VanDerWaalsContact C-N 3.27Å; Q503-L505 PolarHBondContact O-N 3Å; L505-V507 HydrophobicContact CB-CG1 4.28Å; L505-V507 PolarHBondContact O-N 3.4Å; L505-F508 VanDerWaalsContact O-CB 3.3Å; L505-F508 WeakPolarHBondContact O-CB 3.32Å; L505-F508 PolarHBondContact O-N 2.84Å; L505-Q537 HydrophobicContact CD1-CG 3.66Å
506	P	81.4	Confident	82.8	Confident	20 Å²	20	65.6 Å²	65.6	13%	0.13	33%	0.331	C	S	.	.	H	α-helix	trans	-49.3	-37.7	179.4	-31.7	35	0	0	0	114.9	F508 S509 I677	P506-F508 PolarHBondContact O-N 3.5Å; P506-S509 PolarHBondContact O-N 2.99Å; P506-S509 PolarHBondContact O-OG 3.38Å; P506-I677 HydrophobicContact CB-CG2 4.19Å
507	V	86.8	Confident	84.3	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-62.6	-24	178.7	72.9	0	0	0	0	113.9	L505 S509 V510 R511 L514 S532 Q537 Y541 I677	L505-V507 HydrophobicContact CB-CG1 4.28Å; L505-V507 PolarHBondContact O-N 3.4Å; V507-S509 PolarHBondContact O-N 3.03Å; V507-V510 HydrophobicContact CG2-CG2 4.43Å; V507-V510 VanDerWaalsContact O-CG2 3.26Å; V507-V510 WeakPolarHBondContact O-CG2 3.33Å; V507-V510 PolarHBondContact O-N 3.35Å; V507-R511 PolarHBondContact O-N 3.04Å; V507-L514 HydrophobicContact CG2-CD2 4.17Å; V507-S532 VanDerWaalsContact CB-O 3.3Å; V507-S532 WeakPolarHBondContact CB-O 3.42Å; V507-S532 VanDerWaalsContact CG1-O 3.3Å; V507-S532 WeakPolarHBondContact CG1-O 3.43Å; V507-S532 PolarHBondContact N-O 3.44Å; V507-Q537 HydrophobicContact CG1-CB 3.77Å; V507-Q537 HydrophobicContact CG1-CG 3.75Å; V507-Y541 HydrophobicContact CG1-CE2 4.4Å; V507-Y541 HydrophobicContact CG2-CE2 4.26Å; V507-I677 HydrophobicContact CB-CD1 4.26Å; V507-I677 HydrophobicContact CG2-CD1 3.81Å
508	F	87.3	Confident	85.3	Confident	78 Å²	78	61.3 Å²	61.3	34%	0.342	31%	0.307	S	S	.	.	H	α-helix	trans	-64.7	-40.9	178.1	-175.3	-97.8	0	0	0	111.7	Q503 L505 P506 V510 R511 Y541	Q503-F508 HydrophobicContact CB-CD1 4.26Å; Q503-F508 HydrophobicContact CB-CE1 4.26Å; Q503-F508 HydrophobicContact CG-CD1 4.33Å; Q503-F508 HydrophobicContact CG-CD2 4.46Å; Q503-F508 HydrophobicContact CG-CE1 3.92Å; Q503-F508 HydrophobicContact CG-CE2 4.06Å; Q503-F508 HydrophobicContact CG-CZ 3.78Å; L505-F508 VanDerWaalsContact O-CB 3.3Å; L505-F508 WeakPolarHBondContact O-CB 3.32Å; L505-F508 PolarHBondContact O-N 2.84Å; P506-F508 PolarHBondContact O-N 3.5Å; F508-V510 PolarHBondContact O-N 3.05Å; F508-V510 VanDerWaalsContact O-N 3.12Å; F508-R511 WeakPolarHBondContact O-CB 3.33Å; F508-R511 PolarHBondContact O-N 3.28Å; F508-Y541 WeakPolarHBondContact CA-OH 3.46Å
509	S	87.2	Confident	86.2	Confident	93 Å²	93	63.5 Å²	63.5	65%	0.65	31%	0.314	S	S	*	.	H	α-helix	trans	-59.3	-25.9	179.1	70.9	0	0	0	0	113.8	P506 V507	P506-S509 PolarHBondContact O-N 2.99Å; P506-S509 PolarHBondContact O-OG 3.38Å; V507-S509 PolarHBondContact O-N 3.03Å
510	V	90.1	Very high	87	Confident	24 Å²	24	64.4 Å²	64.4	15%	0.145	31%	0.312	C	S	.	.	H	α-helix	trans	-109.1	0.7	-176	-69.9	0	0	0	0	113.8	V507 F508 T512 S513 L514 F675 I677 P678	V507-V510 HydrophobicContact CG2-CG2 4.43Å; V507-V510 VanDerWaalsContact O-CG2 3.26Å; V507-V510 WeakPolarHBondContact O-CG2 3.33Å; V507-V510 PolarHBondContact O-N 3.35Å; F508-V510 PolarHBondContact O-N 3.05Å; F508-V510 VanDerWaalsContact O-N 3.12Å; V510-T512 VanDerWaalsContact C-N 3.35Å; V510-T512 PolarHBondContact O-N 3.15Å; V510-S513 PolarHBondContact O-N 3.17Å; V510-S513 VanDerWaalsContact O-N 3.08Å; V510-L514 WeakPolarHBondContact O-CB 3.45Å; V510-L514 PolarHBondContact O-N 3.41Å; V510-F675 HydrophobicContact CB-CE1 3.96Å; V510-F675 HydrophobicContact CB-CZ 3.91Å; V510-F675 HydrophobicContact CG1-CZ 4.43Å; V510-F675 HydrophobicContact CG2-CE1 3.96Å; V510-F675 HydrophobicContact CG2-CZ 4.42Å; V510-I677 HydrophobicContact CG2-CG1 4.29Å; V510-I677 HydrophobicContact CG2-CG2 4.2Å; V510-P678 HydrophobicContact CG1-CG 4.45Å
511	R	90.9	Very high	87.7	Confident	78 Å²	78	63.9 Å²	63.9	29%	0.294	31%	0.31	S	S	.	.	H	α-helix	trans	-45.1	-51.5	-174.9	177.1	-178.1	175.8	-157.5	-2.8	113.7	V507 F508 L514 L515 Y541 E544	V507-R511 PolarHBondContact O-N 3.04Å; F508-R511 WeakPolarHBondContact O-CB 3.33Å; F508-R511 PolarHBondContact O-N 3.28Å; R511-L514 PolarHBondContact O-N 2.94Å; R511-L515 HydrophobicContact CG-CD1 4.1Å; R511-L515 WeakPolarHBondContact O-CB 3.32Å; R511-L515 PolarHBondContact O-N 2.89Å; R511-Y541 HydrophobicContact CB-CD2 4.37Å; R511-Y541 HydrophobicContact CB-CE2 3.88Å; R511-Y541 HydrophobicContact CG-CD1 4.2Å; R511-Y541 HydrophobicContact CG-CD2 3.81Å; R511-Y541 HydrophobicContact CG-CE1 4.14Å; R511-Y541 HydrophobicContact CG-CE2 3.72Å; R511-Y541 HydrophobicContact CG-CG 4.07Å; R511-E544 IonicContact CZ-OE2 2.74Å; R511-E544 IonicContact NE-OE2 3.95Å; R511-E544 IonicContact NH1-OE2 3.98Å; R511-E544 IonicContact NH2-OE2 3.69Å; R511-E544 PolarHBondContact NH2-OE2 3.22Å
512	T	91.6	Very high	88.6	Confident	120 Å²	120	65.2 Å²	65.2	74%	0.736	32%	0.316	S	S	*	.	H	α-helix	trans	-67.1	-39.8	-176.2	-48	0	0	0	0	112.6	V510 R516	V510-T512 VanDerWaalsContact C-N 3.35Å; V510-T512 PolarHBondContact O-N 3.15Å; T512-R516 WeakPolarHBondContact O-CB 3.39Å; T512-R516 PolarHBondContact O-N 3.29Å; T512-R516 VanDerWaalsContact O-N 3.16Å
513	S	92.5	Very high	89.3	Confident	68 Å²	68	64.2 Å²	64.2	48%	0.476	31%	0.314	S	S	.	.	H	α-helix	trans	-70.3	-38.2	178.4	-177.9	0	0	0	0	111.5	V510 M517	V510-S513 PolarHBondContact O-N 3.17Å; V510-S513 VanDerWaalsContact O-N 3.08Å; S513-M517 PolarHBondContact O-N 3.29Å; S513-M517 VanDerWaalsContact O-N 3.09Å
514	L	92.2	Very high	89.9	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-64.6	-52.7	175.8	174.4	66.1	0	0	0	112.2	V507 V510 R511 R516 M517 I518 I526 L538 F675	V507-L514 HydrophobicContact CG2-CD2 4.17Å; V510-L514 WeakPolarHBondContact O-CB 3.45Å; V510-L514 PolarHBondContact O-N 3.41Å; R511-L514 PolarHBondContact O-N 2.94Å; L514-R516 VanDerWaalsContact C-N 3.25Å; L514-R516 PolarHBondContact O-N 3.35Å; L514-M517 PolarHBondContact O-N 2.83Å; L514-I518 HydrophobicContact CD1-CD1 3.94Å; L514-I518 HydrophobicContact CD1-CG1 4.41Å; L514-I518 HydrophobicContact CG-CD1 3.91Å; L514-I518 WeakPolarHBondContact O-CG1 3.06Å; L514-I518 PolarHBondContact O-N 3.15Å; L514-I526 HydrophobicContact CD1-CD1 3.85Å; L514-I526 HydrophobicContact CD1-CG1 4.07Å; L514-L538 HydrophobicContact CD2-CD2 3.48Å; L514-L538 VanDerWaalsContact CD2-CD2 3.48Å; L514-L538 HydrophobicContact CG-CD2 4.5Å; L514-F675 HydrophobicContact CB-CD1 4.45Å; L514-F675 HydrophobicContact CB-CE1 3.94Å; L514-F675 HydrophobicContact CB-CZ 3.98Å; L514-F675 HydrophobicContact CD1-CB 4.46Å; L514-F675 HydrophobicContact CD1-CD1 3.72Å; L514-F675 HydrophobicContact CD1-CE1 4.07Å; L514-F675 HydrophobicContact CD1-CG 4Å; L514-F675 HydrophobicContact CG-CE1 4.5Å
515	L	92.8	Very high	90.5	Very high	16 Å²	16	52.5 Å²	52.5	8%	0.084	26%	0.264	C	S	.	.	H	α-helix	trans	-58.6	-38.7	177.8	-78.7	173.8	0	0	0	111.9	R511 I518 K519 D545	R511-L515 HydrophobicContact CG-CD1 4.1Å; R511-L515 WeakPolarHBondContact O-CB 3.32Å; R511-L515 PolarHBondContact O-N 2.89Å; L515-I518 PolarHBondContact O-N 2.95Å; L515-K519 WeakPolarHBondContact O-CG 3.47Å; L515-K519 PolarHBondContact O-N 2.9Å; L515-D545 HydrophobicContact CD1-CB 4.25Å; L515-D545 HydrophobicContact CD2-CB 3.94Å
516	R	93.4	Very high	91.1	Very high	165 Å²	165	50.6 Å²	50.6	62%	0.623	25%	0.254	S	S	*	.	H	α-helix	trans	-59.1	-47.9	172.9	179.2	177.4	172.9	175.1	-0.7	112	T512 L514 I518 K519 E520	T512-R516 WeakPolarHBondContact O-CB 3.39Å; T512-R516 PolarHBondContact O-N 3.29Å; T512-R516 VanDerWaalsContact O-N 3.16Å; L514-R516 VanDerWaalsContact C-N 3.25Å; L514-R516 PolarHBondContact O-N 3.35Å; R516-I518 VanDerWaalsContact C-N 3.3Å; R516-I518 PolarHBondContact O-N 3.03Å; R516-K519 PolarHBondContact O-N 3.07Å; R516-E520 HydrophobicContact CG-CG 4.5Å; R516-E520 IonicContact CZ-OE1 2.79Å; R516-E520 IonicContact NE-OE1 2.61Å; R516-E520 PolarHBondContact NE-OE1 3.13Å; R516-E520 IonicContact NE-OE2 3.17Å; R516-E520 IonicContact NH2-OE1 3.73Å; R516-E520 PolarHBondContact NH2-OE1 3.33Å; R516-E520 WeakPolarHBondContact O-CG 3.42Å; R516-E520 PolarHBondContact O-N 2.91Å; R516-E520 VanDerWaalsContact O-N 3.07Å
517	M	92.6	Very high	91.5	Very high	41 Å²	41	50.3 Å²	50.3	20%	0.202	25%	0.252	C	S	.	.	H	α-helix	trans	-61.8	-37.4	179.4	-174.1	170.8	-73.1	0	0	112.5	S513 L514 E520 H521 V524 P673 F675	S513-M517 PolarHBondContact O-N 3.29Å; S513-M517 VanDerWaalsContact O-N 3.09Å; L514-M517 PolarHBondContact O-N 2.83Å; M517-E520 PolarHBondContact O-N 3.45Å; M517-H521 PolarHBondContact O-N 2.96Å; M517-H521 PolarHBondContact O-ND1 2.81Å; M517-H521 VanDerWaalsContact O-ND1 3.15Å; M517-V524 HydrophobicContact CG-CG1 4.2Å; M517-V524 HydrophobicContact CG-CG2 4.17Å; M517-V524 HydrophobicContact SD-CG1 3.93Å; M517-P673 HydrophobicContact CG-CG 4.4Å; M517-P673 HydrophobicContact SD-CB 3.97Å; M517-P673 HydrophobicContact SD-CG 4.29Å; M517-F675 HydrophobicContact CE-CD2 3.81Å; M517-F675 HydrophobicContact CE-CE2 4.5Å; M517-F675 HydrophobicContact SD-CB 3.87Å; M517-F675 HydrophobicContact SD-CD2 3.69Å; M517-F675 HydrophobicContact SD-CG 4.24Å
518	I	93.1	Very high	91.3	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.015	25%	0.254	C	S	.	.	H	α-helix	trans	-69.4	-31.5	177.6	-62.7	165.7	0	0	0	112.3	L514 L515 R516 V524 L542 F547 R652 L654	L514-I518 HydrophobicContact CD1-CD1 3.94Å; L514-I518 HydrophobicContact CD1-CG1 4.41Å; L514-I518 HydrophobicContact CG-CD1 3.91Å; L514-I518 WeakPolarHBondContact O-CG1 3.06Å; L514-I518 PolarHBondContact O-N 3.15Å; L515-I518 PolarHBondContact O-N 2.95Å; R516-I518 VanDerWaalsContact C-N 3.3Å; R516-I518 PolarHBondContact O-N 3.03Å; I518-V524 HydrophobicContact CG1-CG2 4.38Å; I518-L542 HydrophobicContact CD1-CD2 4.4Å; I518-L542 HydrophobicContact CG2-CD2 3.98Å; I518-F547 HydrophobicContact CG2-CE2 4.48Å; I518-F547 HydrophobicContact CG2-CZ 4.14Å; I518-R652 PolarHBondContact O-NE 3.41Å; I518-R652 VanDerWaalsContact O-NE 3.1Å; I518-L654 HydrophobicContact CB-CD2 4.49Å; I518-L654 HydrophobicContact CD1-CD1 3.8Å; I518-L654 HydrophobicContact CD1-CD2 4.12Å; I518-L654 HydrophobicContact CG1-CD1 4.37Å; I518-L654 HydrophobicContact CG1-CD2 3.77Å; I518-L654 HydrophobicContact CG2-CD2 4.05Å
519	K	91.3	Very high	90.8	Very high	108 Å²	108	49.8 Å²	49.8	47%	0.47	25%	0.252	S	S	.	.	H	α-helix	trans	-68.4	-47	171	-71.6	-179.2	-174.1	-176.7	0	111.4	L515 R516 D545 F547 R652	L515-K519 WeakPolarHBondContact O-CG 3.47Å; L515-K519 PolarHBondContact O-N 2.9Å; R516-K519 PolarHBondContact O-N 3.07Å; K519-D545 VanDerWaalsContact CE-CG 3.42Å; K519-D545 WeakPolarHBondContact CE-OD1 3.12Å; K519-D545 WeakPolarHBondContact CE-OD2 3.04Å; K519-D545 IonicContact NZ-OD1 3.22Å; K519-D545 PolarHBondContact NZ-OD1 2.82Å; K519-D545 IonicContact NZ-OD2 2.77Å; K519-D545 PolarHBondContact NZ-OD2 2.82Å; K519-F547 HydrophobicContact CG-CZ 4.49Å; K519-R652 PolarHBondContact O-NH2 3.16Å; K519-R652 VanDerWaalsContact O-NH2 3.11Å
520	E	92	Very high	90.2	Very high	107 Å²	107	46.2 Å²	46.2	50%	0.5	23%	0.226	S	C	.	.	H	α-helix	trans	-68	-31	-175.9	-71.5	173.4	173.1	0	0	113.4	R516 M517	R516-E520 HydrophobicContact CG-CG 4.5Å; R516-E520 IonicContact CZ-OE1 2.79Å; R516-E520 IonicContact NE-OE1 2.61Å; R516-E520 PolarHBondContact NE-OE1 3.13Å; R516-E520 IonicContact NE-OE2 3.17Å; R516-E520 IonicContact NH2-OE1 3.73Å; R516-E520 PolarHBondContact NH2-OE1 3.33Å; R516-E520 WeakPolarHBondContact O-CG 3.42Å; R516-E520 PolarHBondContact O-N 2.91Å; R516-E520 VanDerWaalsContact O-N 3.07Å; M517-E520 PolarHBondContact O-N 3.45Å
521	H	91.9	Very high	89.3	Confident	71 Å²	71	46.4 Å²	46.4	33%	0.329	23%	0.233	S	C	.	.			trans	-125.4	142.2	-174.2	-56.7	82.4	0	0	0	112.7	M517 V524 R652 P673	M517-H521 PolarHBondContact O-N 2.96Å; M517-H521 PolarHBondContact O-ND1 2.81Å; M517-H521 VanDerWaalsContact O-ND1 3.15Å; H521-V524 HydrophobicContact CB-CG2 4.01Å; H521-R652 WeakPolarHBondContact O-CD 3.44Å; H521-R652 PolarHBondContact O-NE 3.13Å; H521-P673 HydrophobicContact CB-CG 3.93Å
522	Q	91.8	Very high	88.8	Confident	50 Å²	50	42.8 Å²	42.8	23%	0.234	22%	0.219	C	C	.	.	S	Bend	trans	-73.6	-36	179.4	-164.3	-176.4	0.1	0	0	113	V645 R648 L651 L653	Q522-V645 HydrophobicContact CG-CG1 4.26Å; Q522-V645 PolarHBondContact NE2-O 3.39Å; Q522-R648 PolarHBondContact NE2-O 3.11Å; Q522-L651 WeakPolarHBondContact CG-O 3.26Å; Q522-L651 PolarHBondContact NE2-O 3.27Å; Q522-L653 PolarHBondContact O-N 3.46Å
523	I	94.2	Very high	88.2	Confident	19 Å²	19	37.5 Å²	37.5	10%	0.097	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	133.3	177.5	-48.1	178.4	0	0	0	108.7	V645 L653 I655 F669 C672 P673	I523-V645 HydrophobicContact CD1-CG1 3.69Å; I523-V645 HydrophobicContact CG1-CG1 3.87Å; I523-L653 VanDerWaalsContact CA-O 3.29Å; I523-L653 WeakPolarHBondContact CA-O 3.28Å; I523-L653 HydrophobicContact CG1-CB 4.37Å; I523-L653 HydrophobicContact CG2-CB 4.46Å; I523-L653 HydrophobicContact CG2-CD2 4.31Å; I523-L653 HydrophobicContact CG2-CG 4.39Å; I523-I655 HydrophobicContact CG2-CD1 4.06Å; I523-F669 HydrophobicContact CD1-CB 3.87Å; I523-F669 HydrophobicContact CD1-CD1 3.75Å; I523-F669 HydrophobicContact CD1-CG 4.13Å; I523-F669 HydrophobicContact CG2-CB 4.12Å; I523-F669 HydrophobicContact CG2-CG 4.23Å; I523-C672 HydrophobicContact CB-CB 4.01Å; I523-C672 HydrophobicContact CG2-CB 4.16Å; I523-P673 WeakPolarHBondContact O-CD 3.31Å
524	V	94.3	Very high	87.9	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	129.9	174.3	-174.4	0	0	0	0	110.4	M517 I518 H521 I526 L653 L654 I655 P673 F675	M517-V524 HydrophobicContact CG-CG1 4.2Å; M517-V524 HydrophobicContact CG-CG2 4.17Å; M517-V524 HydrophobicContact SD-CG1 3.93Å; I518-V524 HydrophobicContact CG1-CG2 4.38Å; H521-V524 HydrophobicContact CB-CG2 4.01Å; V524-I526 HydrophobicContact CG1-CG1 4.04Å; V524-L653 PolarHBondContact N-O 3.19Å; V524-L654 HydrophobicContact CB-CD2 3.98Å; V524-L654 HydrophobicContact CG2-CD2 4.33Å; V524-I655 PolarHBondContact O-N 2.82Å; V524-P673 HydrophobicContact CG2-CG 4.29Å; V524-F675 HydrophobicContact CG1-CB 4.23Å
525	V	93.3	Very high	87.7	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	116.2	171.6	175.8	0	0	0	0	108.9	V527 I655 A662 F665 P673 I674 F675	V525-V527 HydrophobicContact CG1-CG2 4.27Å; V525-I655 CarbonylContact C-O 3.55Å; V525-I655 WeakPolarHBondContact CA-O 3.49Å; V525-I655 HydrophobicContact CG2-CB 4.32Å; V525-I655 HydrophobicContact CG2-CD1 4.21Å; V525-A662 HydrophobicContact CG1-CB 3.98Å; V525-F665 HydrophobicContact CG1-CB 4.22Å; V525-F665 HydrophobicContact CG2-CB 3.83Å; V525-P673 PolarHBondContact N-O 3.46Å; V525-I674 HydrophobicContact CB-CG1 4.34Å; V525-I674 CarbonylContact O-C 3.55Å; V525-I674 WeakPolarHBondContact O-CA 3.48Å; V525-F675 PolarHBondContact O-N 3.26Å
526	I	92.2	Very high	87.4	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	112.5	-177.4	-59	167.7	0	0	0	109.1	L514 V524 K534 L538 L654 I655 T656 S657 F675 I677	L514-I526 HydrophobicContact CD1-CD1 3.85Å; L514-I526 HydrophobicContact CD1-CG1 4.07Å; V524-I526 HydrophobicContact CG1-CG1 4.04Å; I526-K534 HydrophobicContact CG2-CD 4.4Å; I526-L538 HydrophobicContact CD1-CD1 4.15Å; I526-L538 HydrophobicContact CD1-CD2 4Å; I526-L654 HydrophobicContact CD1-CB 4.25Å; I526-L654 HydrophobicContact CD1-CD1 4.14Å; I526-L654 HydrophobicContact CD1-CD2 4.44Å; I526-I655 PolarHBondContact N-O 3.48Å; I526-T656 HydrophobicContact CB-CG2 3.69Å; I526-T656 HydrophobicContact CD1-CG2 4.2Å; I526-T656 HydrophobicContact CG1-CG2 4.5Å; I526-T656 HydrophobicContact CG2-CG2 3.97Å; I526-T656 WeakPolarHBondContact O-CA 3.38Å; I526-S657 PolarHBondContact O-N 3.34Å; I526-F675 WeakPolarHBondContact CA-O 3.35Å; I526-F675 HydrophobicContact CG1-CB 4.5Å; I526-I677 HydrophobicContact CG2-CD1 3.77Å; I526-I677 HydrophobicContact CG2-CG1 4.32Å
527	V	89.2	Confident	87.3	Confident	14 Å²	14	28.4 Å²	28.4	9%	0.085	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	127	178.4	-168.5	0	0	0	0	108.9	V525 A662 I674 F675 R676 I677	V525-V527 HydrophobicContact CG1-CG2 4.27Å; V527-A662 HydrophobicContact CG2-CB 3.34Å; V527-I674 HydrophobicContact CG2-CG2 3.58Å; V527-F675 PolarHBondContact N-O 2.91Å; V527-R676 HydrophobicContact CB-CG 4.31Å; V527-R676 WeakPolarHBondContact O-CA 3.39Å; V527-I677 PolarHBondContact O-N 2.78Å
528	G	83.8	Confident	87.3	Confident	4 Å²	4	26.7 Å²	26.7	4%	0.041	14%	0.14	C	C	.	.			trans	-165.7	140.4	173.9	0	0	0	0	0	111	K534 S657 A658	G528-K534 WeakPolarHBondContact O-CE 3.43Å; G528-K534 PolarHBondContact O-NZ 2.89Å; G528-S657 PolarHBondContact N-O 3.17Å; G528-A658 WeakPolarHBondContact O-CA 3.45Å
529	E	77.1	Confident	87.3	Confident	64 Å²	64	26.5 Å²	26.5	30%	0.299	14%	0.14	S	C	.	.			trans	-62.5	159.4	-174.2	-62.4	-175.1	99.4	0	0	111.8	G531 S532 R680	E529-G531 PolarHBondContact O-N 2.84Å; E529-S532 VanDerWaalsContact O-CB 3.28Å; E529-S532 WeakPolarHBondContact O-CB 3.48Å; E529-S532 PolarHBondContact O-N 3.46Å; E529-S532 PolarHBondContact O-OG 3.3Å; E529-R680 HydrophobicContact CB-CG 4.38Å; E529-R680 IonicContact OE1-CZ 3.78Å; E529-R680 IonicContact OE1-NE 3.33Å; E529-R680 PolarHBondContact OE1-NE 3.29Å; E529-R680 IonicContact OE1-NH2 3.78Å; E529-R680 PolarHBondContact OE1-NH2 3.07Å; E529-R680 WeakPolarHBondContact OE2-CG 3.41Å; E529-R680 IonicContact OE2-NE 3.99Å
530	T	74.9	Confident	87.4	Confident	18 Å²	18	21.4 Å²	21.4	11%	0.11	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	136.2	-177.4	87.6	0	0	0	0	110	A658 R833	T530-A658 HydrophobicContact CG2-CB 3.67Å; T530-R833 VanDerWaalsContact CB-NH2 3.27Å; T530-R833 PolarHBondContact OG1-NE 3.2Å; T530-R833 PolarHBondContact OG1-NH2 2.97Å
531	G	71.2	Confident	87.5	Confident	28 Å²	28	16.4 Å²	16.4	29%	0.289	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	-7.1	-172.6	0	0	0	0	0	115.1	E529 G533	E529-G531 PolarHBondContact O-N 2.84Å; G531-G533 PolarHBondContact O-N 2.86Å
532	S	78.7	Confident	87.5	Confident	1 Å²	1	13.1 Å²	13.1	1%	0.007	8%	0.079	C	C	.	.	S	Bend	trans	-68.2	-9.1	176.8	54.7	0	0	0	0	115.3	V507 E529	V507-S532 VanDerWaalsContact CB-O 3.3Å; V507-S532 WeakPolarHBondContact CB-O 3.42Å; V507-S532 VanDerWaalsContact CG1-O 3.3Å; V507-S532 WeakPolarHBondContact CG1-O 3.43Å; V507-S532 PolarHBondContact N-O 3.44Å; E529-S532 VanDerWaalsContact O-CB 3.28Å; E529-S532 WeakPolarHBondContact O-CB 3.48Å; E529-S532 PolarHBondContact O-N 3.46Å; E529-S532 PolarHBondContact O-OG 3.3Å
533	G	80.1	Confident	87.6	Confident	9 Å²	9	12.6 Å²	12.6	9%	0.093	8%	0.076	C	C	.	.	S	Bend	trans	98.3	2.1	177.9	0	0	0	0	0	116.4	G531 T535 T536 Q537	G531-G533 PolarHBondContact O-N 2.86Å; G533-T535 PolarHBondContact O-N 3.03Å; G533-T536 PolarHBondContact O-N 2.9Å; G533-T536 PolarHBondContact O-OG1 2.7Å; G533-Q537 WeakPolarHBondContact O-CB 3.37Å; G533-Q537 WeakPolarHBondContact O-CG 3.34Å; G533-Q537 PolarHBondContact O-N 3.44Å
534	K	86.3	Confident	87.5	Confident	6 Å²	6	15.4 Å²	15.4	3%	0.026	9%	0.089	C	C	.	.	H	α-helix	trans	-44.8	-66.3	-177.4	-56.7	-170.3	-50.6	-66.9	0	113.2	I526 G528 T536 Q537 L538 T656 I677	I526-K534 HydrophobicContact CG2-CD 4.4Å; G528-K534 WeakPolarHBondContact O-CE 3.43Å; G528-K534 PolarHBondContact O-NZ 2.89Å; K534-T536 VanDerWaalsContact C-N 3.32Å; K534-T536 PolarHBondContact O-N 3.04Å; K534-Q537 PolarHBondContact O-N 3.08Å; K534-L538 HydrophobicContact CB-CD1 3.87Å; K534-L538 VanDerWaalsContact O-CB 3.26Å; K534-L538 WeakPolarHBondContact O-CB 3.42Å; K534-L538 WeakPolarHBondContact O-CD1 3.31Å; K534-L538 WeakPolarHBondContact O-CG 3.3Å; K534-L538 PolarHBondContact O-N 2.69Å; K534-T656 HydrophobicContact CB-CG2 4.4Å; K534-T656 HydrophobicContact CD-CG2 4.18Å; K534-I677 HydrophobicContact CD-CD1 4.24Å; K534-I677 HydrophobicContact CG-CD1 3.82Å
535	T	87.1	Confident	87.3	Confident	29 Å²	29	17.7 Å²	17.7	18%	0.178	10%	0.101	C	C	.	.	H	α-helix	trans	-58.6	-36.4	-170.1	-50.1	0	0	0	0	114.3	G533 Q557 V566 Y600 D625	G533-T535 PolarHBondContact O-N 3.03Å; T535-Q557 VanDerWaalsContact CG2-NE2 3.3Å; T535-V566 HydrophobicContact CG2-CB 4.28Å; T535-V566 HydrophobicContact CG2-CG1 3.65Å; T535-V566 HydrophobicContact CG2-CG2 3.64Å; T535-Y600 PolarHBondContact O-OH 3.05Å; T535-Y600 VanDerWaalsContact O-OH 3.12Å; T535-D625 VanDerWaalsContact CB-OD2 3.22Å; T535-D625 WeakPolarHBondContact CB-OD2 2.98Å; T535-D625 WeakPolarHBondContact CG2-OD2 3.14Å; T535-D625 PolarHBondContact OG1-OD2 2.81Å
536	T	87.7	Confident	87.1	Confident	25 Å²	25	18.7 Å²	18.7	15%	0.153	11%	0.112	C	C	.	.	H	α-helix	trans	-86.7	-42.3	-179.9	54.5	0	0	0	0	112.4	G533 K534 T539 Q540 R569 V570	G533-T536 PolarHBondContact O-N 2.9Å; G533-T536 PolarHBondContact O-OG1 2.7Å; K534-T536 VanDerWaalsContact C-N 3.32Å; K534-T536 PolarHBondContact O-N 3.04Å; T536-T539 PolarHBondContact O-OG1 3.37Å; T536-Q540 PolarHBondContact O-NE2 3.5Å; T536-R569 HydrophobicContact CG2-CG 4.24Å; T536-V570 HydrophobicContact CG2-CG2 4.14Å
537	Q	90.8	Very high	87	Confident	0 Å²	0	20 Å²	20	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-87.8	-27.6	-170.1	-57	-51.7	-63.5	0	0	114.1	L505 V507 G533 K534 Q540 Y541 E573	L505-Q537 HydrophobicContact CD1-CG 3.66Å; V507-Q537 HydrophobicContact CG1-CB 3.77Å; V507-Q537 HydrophobicContact CG1-CG 3.75Å; G533-Q537 WeakPolarHBondContact O-CB 3.37Å; G533-Q537 WeakPolarHBondContact O-CG 3.34Å; G533-Q537 PolarHBondContact O-N 3.44Å; K534-Q537 PolarHBondContact O-N 3.08Å; Q537-Q540 PolarHBondContact O-N 3.15Å; Q537-Y541 HydrophobicContact CB-CD2 4.41Å; Q537-Y541 HydrophobicContact CB-CE1 4.16Å; Q537-Y541 HydrophobicContact CB-CE2 3.89Å; Q537-Y541 WeakPolarHBondContact O-CB 3.37Å; Q537-Y541 WeakPolarHBondContact O-CD1 3.26Å; Q537-Y541 PolarHBondContact O-N 2.86Å; Q537-E573 PolarHBondContact NE2-OE2 3.16Å
538	L	92.6	Very high	87	Confident	4 Å²	4	20.2 Å²	20.2	2%	0.021	12%	0.119	C	C	.	.	H	α-helix	trans	-65	-44.2	-175	-71.5	170.5	0	0	0	113.1	L514 I526 K534 Y541 L542 I623 T656	L514-L538 HydrophobicContact CD2-CD2 3.48Å; L514-L538 VanDerWaalsContact CD2-CD2 3.48Å; L514-L538 HydrophobicContact CG-CD2 4.5Å; I526-L538 HydrophobicContact CD1-CD1 4.15Å; I526-L538 HydrophobicContact CD1-CD2 4Å; K534-L538 HydrophobicContact CB-CD1 3.87Å; K534-L538 VanDerWaalsContact O-CB 3.26Å; K534-L538 WeakPolarHBondContact O-CB 3.42Å; K534-L538 WeakPolarHBondContact O-CD1 3.31Å; K534-L538 WeakPolarHBondContact O-CG 3.3Å; K534-L538 PolarHBondContact O-N 2.69Å; L538-Y541 PolarHBondContact O-N 3.28Å; L538-L542 WeakPolarHBondContact O-CG 3.37Å; L538-L542 PolarHBondContact O-N 2.98Å; L538-I623 HydrophobicContact CB-CD1 3.83Å; L538-T656 HydrophobicContact CD1-CG2 3.34Å
539	T	93.7	Very high	87.1	Confident	0 Å²	0	25 Å²	25	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.7	-45.3	175.4	49.4	0	0	0	0	111.5	T536 L542 H543 V553 C555 I598 Y600 I623	T536-T539 PolarHBondContact O-OG1 3.37Å; T539-L542 PolarHBondContact O-N 2.99Å; T539-H543 WeakPolarHBondContact O-CB 3.32Å; T539-H543 PolarHBondContact O-N 3.17Å; T539-V553 HydrophobicContact CG2-CG1 4.23Å; T539-C555 HydrophobicContact CG2-CB 3.71Å; T539-I598 HydrophobicContact CG2-CG2 4.08Å; T539-Y600 HydrophobicContact CG2-CE1 4.14Å; T539-Y600 WeakPolarHBondContact CG2-OH 3.4Å; T539-Y600 PolarHBondContact OG1-OH 3.17Å; T539-I623 HydrophobicContact CG2-CD1 3.75Å
540	Q	92.8	Very high	87.5	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60.1	-45.3	175.6	-67.4	178.6	69.2	0	0	111.1	T536 Q537 L542 H543 E544 V570 E573 M574	T536-Q540 PolarHBondContact O-NE2 3.5Å; Q537-Q540 PolarHBondContact O-N 3.15Å; Q540-L542 PolarHBondContact O-N 2.98Å; Q540-H543 PolarHBondContact O-N 3.31Å; Q540-E544 WeakPolarHBondContact O-CB 3.35Å; Q540-E544 WeakPolarHBondContact O-CG 3.19Å; Q540-E544 PolarHBondContact O-N 2.98Å; Q540-V570 HydrophobicContact CG-CG1 3.81Å; Q540-E573 PolarHBondContact NE2-OE2 3.5Å; Q540-M574 HydrophobicContact CG-CG 4.24Å; Q540-M574 HydrophobicContact CG-SD 4.01Å
541	Y	93.6	Very high	88.2	Confident	3 Å²	3	31.5 Å²	31.5	1%	0.012	17%	0.174	C	C	.	.	H	α-helix	trans	-65	-36	178.6	-64.7	-14.7	0	0	0	113	V507 F508 R511 Q537 L538 D545	V507-Y541 HydrophobicContact CG1-CE2 4.4Å; V507-Y541 HydrophobicContact CG2-CE2 4.26Å; F508-Y541 WeakPolarHBondContact CA-OH 3.46Å; R511-Y541 HydrophobicContact CB-CD2 4.37Å; R511-Y541 HydrophobicContact CB-CE2 3.88Å; R511-Y541 HydrophobicContact CG-CD1 4.2Å; R511-Y541 HydrophobicContact CG-CD2 3.81Å; R511-Y541 HydrophobicContact CG-CE1 4.14Å; R511-Y541 HydrophobicContact CG-CE2 3.72Å; R511-Y541 HydrophobicContact CG-CG 4.07Å; Q537-Y541 HydrophobicContact CB-CD2 4.41Å; Q537-Y541 HydrophobicContact CB-CE1 4.16Å; Q537-Y541 HydrophobicContact CB-CE2 3.89Å; Q537-Y541 WeakPolarHBondContact O-CB 3.37Å; Q537-Y541 WeakPolarHBondContact O-CD1 3.26Å; Q537-Y541 PolarHBondContact O-N 2.86Å; L538-Y541 PolarHBondContact O-N 3.28Å; Y541-D545 WeakPolarHBondContact O-CB 3.46Å; Y541-D545 PolarHBondContact O-N 3.21Å; Y541-D545 VanDerWaalsContact O-N 3.09Å
542	L	93.3	Very high	89.2	Confident	2 Å²	2	32.4 Å²	32.4	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-67.7	-39.8	173.7	-68.7	176.2	0	0	0	112.2	I518 L538 T539 Q540 G546 F547 V553 A621 I623 L654	I518-L542 HydrophobicContact CD1-CD2 4.4Å; I518-L542 HydrophobicContact CG2-CD2 3.98Å; L538-L542 WeakPolarHBondContact O-CG 3.37Å; L538-L542 PolarHBondContact O-N 2.98Å; T539-L542 PolarHBondContact O-N 2.99Å; Q540-L542 PolarHBondContact O-N 2.98Å; L542-G546 PolarHBondContact O-N 3.5Å; L542-F547 HydrophobicContact CB-CB 4.3Å; L542-F547 HydrophobicContact CB-CD2 4.16Å; L542-F547 HydrophobicContact CB-CG 4.5Å; L542-F547 HydrophobicContact CD2-CD2 3.62Å; L542-F547 HydrophobicContact CD2-CE2 3.76Å; L542-F547 HydrophobicContact CD2-CG 4.2Å; L542-F547 HydrophobicContact CD2-CZ 4.46Å; L542-F547 WeakPolarHBondContact O-CB 3.5Å; L542-F547 WeakPolarHBondContact O-CD2 3.44Å; L542-F547 PolarHBondContact O-N 3.4Å; L542-V553 HydrophobicContact CB-CG2 4.06Å; L542-V553 HydrophobicContact CD1-CG1 3.89Å; L542-V553 HydrophobicContact CD1-CG2 4.49Å; L542-A621 HydrophobicContact CD1-CB 3.89Å; L542-I623 HydrophobicContact CD1-CD1 3.95Å; L542-I623 HydrophobicContact CD1-CG1 4.2Å; L542-L654 HydrophobicContact CD1-CD1 3.91Å; L542-L654 HydrophobicContact CD2-CD1 4.37Å; L542-L654 HydrophobicContact CG-CD1 4.49Å
543	H	92.5	Very high	90	Very high	39 Å²	39	32.3 Å²	32.3	18%	0.181	17%	0.171	C	C	.	.	H	α-helix	trans	-64.6	-51.1	175.1	170	63.6	0	0	0	111.7	T539 Q540 D545 G546 T548 I598	T539-H543 WeakPolarHBondContact O-CB 3.32Å; T539-H543 PolarHBondContact O-N 3.17Å; Q540-H543 PolarHBondContact O-N 3.31Å; H543-D545 PolarHBondContact O-N 2.89Å; H543-G546 PolarHBondContact O-N 3.26Å; H543-T548 HydrophobicContact CB-CG2 3.85Å; H543-T548 WeakPolarHBondContact ND1-CG2 3.4Å; H543-T548 PolarHBondContact ND1-OG1 2.89Å; H543-I598 HydrophobicContact CB-CD1 3.9Å; H543-I598 HydrophobicContact CB-CG1 4.33Å
544	E	91.6	Very high	90.8	Very high	77 Å²	77	31.9 Å²	31.9	36%	0.36	17%	0.167	S	C	.	.	H	α-helix	trans	-58.5	-29.9	177.1	-71.2	167.8	-165.7	0	0	112.9	R502 R511 Q540	R502-E544 IonicContact CZ-OE1 3.43Å; R502-E544 IonicContact NH1-OE1 3.01Å; R502-E544 IonicContact NH2-OE1 3.23Å; R502-E544 PolarHBondContact NH2-OE1 2.89Å; R511-E544 IonicContact CZ-OE2 2.74Å; R511-E544 IonicContact NE-OE2 3.95Å; R511-E544 IonicContact NH1-OE2 3.98Å; R511-E544 IonicContact NH2-OE2 3.69Å; R511-E544 PolarHBondContact NH2-OE2 3.22Å; Q540-E544 WeakPolarHBondContact O-CB 3.35Å; Q540-E544 WeakPolarHBondContact O-CG 3.19Å; Q540-E544 PolarHBondContact O-N 2.98Å
545	D	91	Very high	91.2	Very high	49 Å²	49	31.7 Å²	31.7	26%	0.262	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-0.9	179.1	-168.7	60.5	0	0	0	113.6	L515 K519 Y541 H543 F547	L515-D545 HydrophobicContact CD1-CB 4.25Å; L515-D545 HydrophobicContact CD2-CB 3.94Å; K519-D545 VanDerWaalsContact CE-CG 3.42Å; K519-D545 WeakPolarHBondContact CE-OD1 3.12Å; K519-D545 WeakPolarHBondContact CE-OD2 3.04Å; K519-D545 IonicContact NZ-OD1 3.22Å; K519-D545 PolarHBondContact NZ-OD1 2.82Å; K519-D545 IonicContact NZ-OD2 2.77Å; K519-D545 PolarHBondContact NZ-OD2 2.82Å; Y541-D545 WeakPolarHBondContact O-CB 3.46Å; Y541-D545 PolarHBondContact O-N 3.21Å; Y541-D545 VanDerWaalsContact O-N 3.09Å; H543-D545 PolarHBondContact O-N 2.89Å; D545-F547 HydrophobicContact CB-CD2 4.47Å; D545-F547 WeakPolarHBondContact OD2-CE2 3.18Å
546	G	89.6	Confident	91.6	Very high	21 Å²	21	30.3 Å²	30.3	22%	0.216	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.7	6.3	169.1	0	0	0	0	0	116.5	L542 H543 T548 T549	L542-G546 PolarHBondContact O-N 3.5Å; H543-G546 PolarHBondContact O-N 3.26Å; G546-T548 PolarHBondContact O-N 2.63Å; G546-T549 WeakPolarHBondContact O-CB 3.29Å; G546-T549 PolarHBondContact O-N 3.2Å; G546-T549 PolarHBondContact O-OG1 3.32Å
547	F	89.3	Confident	91.7	Very high	28 Å²	28	29.1 Å²	29.1	12%	0.123	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-60.7	-27.9	177.1	-75.2	-87.6	0	0	0	112.6	I518 K519 L542 D545 T549 Y550 V553 S620 R652	I518-F547 HydrophobicContact CG2-CE2 4.48Å; I518-F547 HydrophobicContact CG2-CZ 4.14Å; K519-F547 HydrophobicContact CG-CZ 4.49Å; L542-F547 HydrophobicContact CB-CB 4.3Å; L542-F547 HydrophobicContact CB-CD2 4.16Å; L542-F547 HydrophobicContact CB-CG 4.5Å; L542-F547 HydrophobicContact CD2-CD2 3.62Å; L542-F547 HydrophobicContact CD2-CE2 3.76Å; L542-F547 HydrophobicContact CD2-CG 4.2Å; L542-F547 HydrophobicContact CD2-CZ 4.46Å; L542-F547 WeakPolarHBondContact O-CB 3.5Å; L542-F547 WeakPolarHBondContact O-CD2 3.44Å; L542-F547 PolarHBondContact O-N 3.4Å; D545-F547 HydrophobicContact CB-CD2 4.47Å; D545-F547 WeakPolarHBondContact OD2-CE2 3.18Å; F547-T549 PolarHBondContact O-N 3.02Å; F547-Y550 PolarHBondContact O-N 3.28Å; F547-V553 HydrophobicContact CB-CG2 4.39Å; F547-S620 WeakPolarHBondContact O-CB 3.46Å; F547-S620 PolarHBondContact O-OG 3.07Å; F547-R652 HydrophobicContact CE1-CG 3.78Å; F547-R652 HydrophobicContact CZ-CG 4.49Å
548	T	88.6	Confident	91.4	Very high	18 Å²	18	30.6 Å²	30.6	11%	0.11	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-70.9	-7.3	175.8	53.1	0	0	0	0	114.7	H543 G546 Y550 G551 V553 L597	H543-T548 HydrophobicContact CB-CG2 3.85Å; H543-T548 WeakPolarHBondContact ND1-CG2 3.4Å; H543-T548 PolarHBondContact ND1-OG1 2.89Å; G546-T548 PolarHBondContact O-N 2.63Å; T548-Y550 VanDerWaalsContact C-N 3.33Å; T548-G551 CarbonylContact C-O 3.57Å; T548-G551 VanDerWaalsContact CA-O 3.23Å; T548-G551 WeakPolarHBondContact CA-O 3.16Å; T548-V553 HydrophobicContact CG2-CB 4.46Å; T548-V553 HydrophobicContact CG2-CG2 3.7Å; T548-L597 HydrophobicContact CG2-CB 3.92Å
549	T	87.3	Confident	90.8	Very high	105 Å²	105	32.3 Å²	32.3	64%	0.644	17%	0.166	S	C	*	.	G	3₁₀ helix	trans	-79	-17.1	175.5	63	0	0	0	0	113.3	G546 F547	G546-T549 WeakPolarHBondContact O-CB 3.29Å; G546-T549 PolarHBondContact O-N 3.2Å; G546-T549 PolarHBondContact O-OG1 3.32Å; F547-T549 PolarHBondContact O-N 3.02Å
550	Y	85	Confident	90.2	Very high	198 Å²	198	37.7 Å²	37.7	78%	0.776	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.5	-20.7	-177.8	-55.1	-72.8	0	0	0	113.5	F547 T548	F547-Y550 PolarHBondContact O-N 3.28Å; T548-Y550 VanDerWaalsContact C-N 3.33Å
551	G	89.2	Confident	89.5	Confident	19 Å²	19	40.9 Å²	40.9	20%	0.196	21%	0.206	C	C	.	.	S	Bend	trans	170.3	176	-174.2	0	0	0	0	0	109.8	T548 P618 S620	T548-G551 CarbonylContact C-O 3.57Å; T548-G551 VanDerWaalsContact CA-O 3.23Å; T548-G551 WeakPolarHBondContact CA-O 3.16Å; G551-P618 CarbonylContact C-O 3.57Å; G551-P618 WeakPolarHBondContact CA-O 3.03Å; G551-S620 PolarHBondContact O-OG 3.47Å
552	M	93.3	Very high	88.9	Confident	47 Å²	47	41 Å²	41	23%	0.232	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	154.7	-179.4	-66.9	179.3	-73.9	0	0	112.5	T596 L597 P618 Y619 S620	M552-T596 WeakPolarHBondContact CG-O 3.15Å; M552-L597 WeakPolarHBondContact CA-O 3.21Å; M552-P618 HydrophobicContact CE-CB 3.56Å; M552-P618 PolarHBondContact N-O 3.32Å; M552-Y619 HydrophobicContact CB-CD1 3.98Å; M552-Y619 HydrophobicContact CB-CE1 4.2Å; M552-Y619 HydrophobicContact CE-CE1 4.34Å; M552-Y619 WeakPolarHBondContact O-CA 3.44Å; M552-S620 PolarHBondContact O-N 3.17Å; M552-S620 PolarHBondContact O-OG 2.82Å
553	V	95.7	Very high	88.6	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	112.3	165.7	177	0	0	0	0	108.6	T539 L542 F547 T548 L597 K599 A621	T539-V553 HydrophobicContact CG2-CG1 4.23Å; L542-V553 HydrophobicContact CB-CG2 4.06Å; L542-V553 HydrophobicContact CD1-CG1 3.89Å; L542-V553 HydrophobicContact CD1-CG2 4.49Å; F547-V553 HydrophobicContact CB-CG2 4.39Å; T548-V553 HydrophobicContact CG2-CB 4.46Å; T548-V553 HydrophobicContact CG2-CG2 3.7Å; V553-L597 PolarHBondContact N-O 2.86Å; V553-K599 PolarHBondContact O-N 3.02Å; V553-A621 WeakPolarHBondContact CA-O 3.43Å; V553-A621 HydrophobicContact CG2-CB 4.46Å
554	G	95.1	Very high	88.1	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	131	173.7	0	0	0	0	0	111	K599 A621 I622 I623	G554-K599 WeakPolarHBondContact CA-O 3.33Å; G554-A621 PolarHBondContact N-O 3.09Å; G554-I622 CarbonylContact O-C 3.56Å; G554-I622 WeakPolarHBondContact O-CA 3.42Å; G554-I623 PolarHBondContact O-N 2.98Å
555	C	95.8	Very high	87.6	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.007	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	118.3	169.2	179.2	0	0	0	0	109.8	T539 K599 Y600 M601 I623	T539-C555 HydrophobicContact CG2-CB 3.71Å; C555-K599 PolarHBondContact N-O 3.39Å; C555-Y600 HydrophobicContact CB-CD1 3.71Å; C555-Y600 HydrophobicContact CB-CE1 3.64Å; C555-Y600 CarbonylContact O-C 3.58Å; C555-Y600 WeakPolarHBondContact O-CA 3.31Å; C555-M601 PolarHBondContact O-N 3.09Å; C555-I623 CarbonylContact C-O 3.6Å; C555-I623 WeakPolarHBondContact CA-O 3.33Å; C555-I623 HydrophobicContact CB-CB 4.22Å
556	T	94.5	Very high	87.4	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	148.5	177	88.1	0	0	0	0	110.9	M601 D603 L606 I623 M624 D625	T556-M601 CarbonylContact C-O 3.57Å; T556-M601 VanDerWaalsContact CA-O 3.23Å; T556-M601 WeakPolarHBondContact CA-O 3.44Å; T556-M601 HydrophobicContact CG2-CG 4.36Å; T556-D603 WeakPolarHBondContact CB-OD1 3.49Å; T556-D603 PolarHBondContact OG1-OD1 3.43Å; T556-L606 HydrophobicContact CG2-CB 4.26Å; T556-L606 HydrophobicContact CG2-CD2 3.55Å; T556-I623 PolarHBondContact N-O 3.28Å; T556-M624 HydrophobicContact CG2-CE 4.45Å; T556-M624 HydrophobicContact CG2-SD 3.71Å; T556-D625 WeakPolarHBondContact O-CB 3.41Å; T556-D625 PolarHBondContact O-N 2.56Å
557	Q	89.9	Confident	87.4	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	135.8	172.3	-69.3	-68.6	-42.7	0	0	108.4	T535 R559 A562 A563 M601 T602 D625	T535-Q557 VanDerWaalsContact CG2-NE2 3.3Å; Q557-R559 PolarHBondContact O-N 3.14Å; Q557-A562 HydrophobicContact CB-CB 4.22Å; Q557-A562 HydrophobicContact CG-CB 4.35Å; Q557-A563 HydrophobicContact CB-CB 4.19Å; Q557-A563 HydrophobicContact CG-CB 4.43Å; Q557-M601 PolarHBondContact N-O 2.97Å; Q557-T602 VanDerWaalsContact O-CA 3.31Å; Q557-T602 WeakPolarHBondContact O-CA 3.38Å; Q557-D625 PolarHBondContact NE2-OD2 2.73Å
558	P	84.6	Confident	87.3	Confident	30 Å²	30	37.4 Å²	37.4	20%	0.195	19%	0.188	C	C	.	.	S	Bend	trans	-64.5	-25	177.3	23.7	-32.6	0	0	0	112.8	E626 E629	P558-E626 HydrophobicContact CG-CB 4.19Å; P558-E629 HydrophobicContact CB-CG 4.41Å; P558-E629 HydrophobicContact CG-CB 4.29Å; P558-E629 HydrophobicContact CG-CG 4.45Å; P558-E629 WeakPolarHBondContact CG-OE2 3.23Å
559	R	81	Confident	87.1	Confident	40 Å²	40	40.6 Å²	40.6	15%	0.151	20%	0.198	C	C	.	.	S	Bend	trans	-109.8	138.1	-178.4	-65.5	-174.7	-172.4	70.6	11.8	113.7	Q557 V561 A562 A563 E629 T784 S785	Q557-R559 PolarHBondContact O-N 3.14Å; R559-V561 PolarHBondContact O-N 2.93Å; R559-A562 HydrophobicContact CB-CB 3.95Å; R559-A562 WeakPolarHBondContact O-CB 3.34Å; R559-A562 PolarHBondContact O-N 2.9Å; R559-A563 PolarHBondContact O-N 3.25Å; R559-A563 VanDerWaalsContact O-N 3.09Å; R559-E629 IonicContact CZ-OE1 3.97Å; R559-E629 IonicContact CZ-OE2 2.76Å; R559-E629 VanDerWaalsContact CZ-OE2 3.23Å; R559-E629 IonicContact NE-OE1 2.71Å; R559-E629 IonicContact NH1-OE1 2.81Å; R559-E629 PolarHBondContact NH1-OE1 2.66Å; R559-E629 IonicContact NH1-OE2 3.95Å; R559-E629 PolarHBondContact NH1-OE2 3.02Å; R559-E629 IonicContact NH2-OE1 3.55Å; R559-E629 PolarHBondContact NH2-OE1 3.11Å; R559-E629 IonicContact NH2-OE2 3.53Å; R559-E629 PolarHBondContact NH2-OE2 3.39Å; R559-E629 VanDerWaalsContact NH2-OE2 3.08Å; R559-T784 VanDerWaalsContact NH1-CB 3.29Å; R559-T784 PolarHBondContact NH1-OG1 3.45Å; R559-T784 PolarHBondContact NH2-OG1 3.37Å; R559-S785 PolarHBondContact NH1-OG 2.97Å
560	R	81.5	Confident	87.3	Confident	113 Å²	113	35.6 Å²	35.6	43%	0.426	17%	0.168	S	C	.	.	H	α-helix	trans	-54.9	-51	171.2	-68.2	-177.7	68.7	-166	-1.7	112.6	A562 A563 M564 I586 R587 T602	R560-A562 VanDerWaalsContact C-N 3.26Å; R560-A562 PolarHBondContact O-N 3.33Å; R560-A563 PolarHBondContact O-N 3.11Å; R560-M564 WeakPolarHBondContact O-CG 3.3Å; R560-M564 PolarHBondContact O-N 3.28Å; R560-M564 VanDerWaalsContact O-N 3.11Å; R560-I586 HydrophobicContact CB-CD1 4.25Å; R560-I586 HydrophobicContact CG-CB 4.29Å; R560-R587 PolarHBondContact NH2-O 3.43Å; R560-R587 VanDerWaalsContact NH2-O 3.16Å; R560-T602 HydrophobicContact CB-CG2 4.42Å; R560-T602 HydrophobicContact CG-CG2 3.83Å
561	V	76.7	Confident	87.5	Confident	68 Å²	68	26.3 Å²	26.3	41%	0.412	13%	0.132	S	C	.	.	H	α-helix	trans	-60	-38.1	-179	-178.3	0	0	0	0	111.5	R559 M564 S565 L786	R559-V561 PolarHBondContact O-N 2.93Å; V561-M564 PolarHBondContact O-N 3.47Å; V561-S565 WeakPolarHBondContact O-CB 3.42Å; V561-S565 PolarHBondContact O-N 3.04Å; V561-S565 PolarHBondContact O-OG 2.93Å; V561-S565 VanDerWaalsContact O-OG 3.06Å; V561-L786 HydrophobicContact CG1-CD1 4.4Å
562	A	82.3	Confident	87.4	Confident	4 Å²	4	30.2 Å²	30.2	3%	0.033	15%	0.145	C	C	.	.	H	α-helix	trans	-67	-45.5	177.3	0	0	0	0	0	112.2	Q557 R559 R560 M564 S565 V566 S785	Q557-A562 HydrophobicContact CB-CB 4.22Å; Q557-A562 HydrophobicContact CG-CB 4.35Å; R559-A562 HydrophobicContact CB-CB 3.95Å; R559-A562 WeakPolarHBondContact O-CB 3.34Å; R559-A562 PolarHBondContact O-N 2.9Å; R560-A562 VanDerWaalsContact C-N 3.26Å; R560-A562 PolarHBondContact O-N 3.33Å; A562-M564 VanDerWaalsContact C-N 3.31Å; A562-M564 PolarHBondContact O-N 3.23Å; A562-S565 PolarHBondContact O-N 3.45Å; A562-S565 PolarHBondContact O-OG 3.01Å; A562-V566 VanDerWaalsContact O-CB 3.24Å; A562-V566 WeakPolarHBondContact O-CB 3.5Å; A562-V566 WeakPolarHBondContact O-CG2 3.4Å; A562-V566 PolarHBondContact O-N 3.15Å; A562-S785 VanDerWaalsContact CB-CB 3.46Å
563	A	85.6	Confident	87.1	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-56.6	-45.7	175.4	0	0	0	0	0	111.6	Q557 R559 R560 A567 I586	Q557-A563 HydrophobicContact CB-CB 4.19Å; Q557-A563 HydrophobicContact CG-CB 4.43Å; R559-A563 PolarHBondContact O-N 3.25Å; R559-A563 VanDerWaalsContact O-N 3.09Å; R560-A563 PolarHBondContact O-N 3.11Å; A563-A567 WeakPolarHBondContact O-CB 3.47Å; A563-A567 PolarHBondContact O-N 2.95Å; A563-A567 VanDerWaalsContact O-N 3.08Å; A563-I586 HydrophobicContact CB-CG2 3.87Å
564	M	82	Confident	86.7	Confident	28 Å²	28	30.6 Å²	30.6	14%	0.138	15%	0.147	C	C	.	.	H	α-helix	trans	-66.9	-47.9	178.8	-62.3	173.7	86.1	0	0	112.9	R560 V561 A562 R568 Y584 I586	R560-M564 WeakPolarHBondContact O-CG 3.3Å; R560-M564 PolarHBondContact O-N 3.28Å; R560-M564 VanDerWaalsContact O-N 3.11Å; V561-M564 PolarHBondContact O-N 3.47Å; A562-M564 VanDerWaalsContact C-N 3.31Å; A562-M564 PolarHBondContact O-N 3.23Å; M564-R568 WeakPolarHBondContact O-CB 3.44Å; M564-R568 PolarHBondContact O-N 3.49Å; M564-Y584 HydrophobicContact CE-CE2 4.03Å; M564-Y584 HydrophobicContact CG-CD2 3.89Å; M564-Y584 HydrophobicContact CG-CE2 3.65Å; M564-I586 HydrophobicContact CE-CD1 4.39Å; M564-I586 HydrophobicContact CG-CD1 3.8Å; M564-I586 HydrophobicContact SD-CD1 3.57Å; M564-I586 VanDerWaalsContact SD-CD1 3.57Å
565	S	81.4	Confident	86.3	Confident	52 Å²	52	37.4 Å²	37.4	36%	0.364	18%	0.183	S	C	.	.	H	α-helix	trans	-70.5	-39.1	-174.8	66.7	0	0	0	0	112.1	V561 A562 R569	V561-S565 WeakPolarHBondContact O-CB 3.42Å; V561-S565 PolarHBondContact O-N 3.04Å; V561-S565 PolarHBondContact O-OG 2.93Å; V561-S565 VanDerWaalsContact O-OG 3.06Å; A562-S565 PolarHBondContact O-N 3.45Å; A562-S565 PolarHBondContact O-OG 3.01Å; S565-R569 WeakPolarHBondContact O-CB 3.3Å; S565-R569 PolarHBondContact O-N 3.28Å
566	V	87.1	Confident	85.9	Confident	14 Å²	14	38.9 Å²	38.9	9%	0.085	19%	0.192	C	C	.	.	H	α-helix	trans	-67.7	-45.3	175.2	175	0	0	0	0	110.6	T535 A562 R568 R569 V570 Y600	T535-V566 HydrophobicContact CG2-CB 4.28Å; T535-V566 HydrophobicContact CG2-CG1 3.65Å; T535-V566 HydrophobicContact CG2-CG2 3.64Å; A562-V566 VanDerWaalsContact O-CB 3.24Å; A562-V566 WeakPolarHBondContact O-CB 3.5Å; A562-V566 WeakPolarHBondContact O-CG2 3.4Å; A562-V566 PolarHBondContact O-N 3.15Å; V566-R568 VanDerWaalsContact C-N 3.32Å; V566-R568 PolarHBondContact O-N 2.87Å; V566-R569 PolarHBondContact O-N 3.02Å; V566-V570 HydrophobicContact CG1-CG2 4.34Å; V566-V570 WeakPolarHBondContact O-CG2 3.37Å; V566-V570 PolarHBondContact O-N 3.39Å; V566-Y600 HydrophobicContact CB-CD1 4.42Å; V566-Y600 HydrophobicContact CB-CE1 4.31Å; V566-Y600 HydrophobicContact CG1-CD1 3.86Å; V566-Y600 HydrophobicContact CG1-CE1 3.29Å; V566-Y600 HydrophobicContact CG1-CE2 4.23Å
567	A	90.3	Very high	85.7	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59.3	-44.1	177.5	0	0	0	0	0	111.8	A563 V570 A571 L578 V582 Y584 Y600	A563-A567 WeakPolarHBondContact O-CB 3.47Å; A563-A567 PolarHBondContact O-N 2.95Å; A563-A567 VanDerWaalsContact O-N 3.08Å; A567-V570 PolarHBondContact O-N 3.4Å; A567-A571 WeakPolarHBondContact O-CB 3.38Å; A567-A571 PolarHBondContact O-N 3.43Å; A567-L578 HydrophobicContact CB-CD1 3.88Å; A567-V582 WeakPolarHBondContact O-CG1 3.31Å; A567-Y584 HydrophobicContact CB-CD1 4.06Å; A567-Y584 HydrophobicContact CB-CG 4.35Å; A567-Y600 HydrophobicContact CB-CD2 3.69Å; A567-Y600 HydrophobicContact CB-CG 4.05Å
568	R	86.8	Confident	85.6	Confident	47 Å²	47	50.3 Å²	50.3	18%	0.177	24%	0.239	C	C	.	.	H	α-helix	trans	-59.9	-49.2	174	-174.6	-179.6	-63.6	162.5	-2	111.6	M564 V566 V570 A571 E572 L578	M564-R568 WeakPolarHBondContact O-CB 3.44Å; M564-R568 PolarHBondContact O-N 3.49Å; V566-R568 VanDerWaalsContact C-N 3.32Å; V566-R568 PolarHBondContact O-N 2.87Å; R568-V570 VanDerWaalsContact C-N 3.32Å; R568-V570 PolarHBondContact O-N 2.98Å; R568-A571 PolarHBondContact O-N 3.38Å; R568-E572 WeakPolarHBondContact O-CG 3.45Å; R568-E572 PolarHBondContact O-N 2.93Å; R568-L578 HydrophobicContact CB-CD2 4.11Å; R568-L578 HydrophobicContact CG-CD2 4.46Å
569	R	84.6	Confident	85.6	Confident	86 Å²	86	49.6 Å²	49.6	33%	0.325	24%	0.238	S	C	.	.	H	α-helix	trans	-61.5	-38.2	179.3	177.8	58.1	-174.3	-162.6	1.7	112.7	Q501 T536 S565 V566 E572 E573	Q501-R569 VanDerWaalsContact OE1-NH2 3.17Å; T536-R569 HydrophobicContact CG2-CG 4.24Å; S565-R569 WeakPolarHBondContact O-CB 3.3Å; S565-R569 PolarHBondContact O-N 3.28Å; V566-R569 PolarHBondContact O-N 3.02Å; R569-E572 PolarHBondContact O-N 3.24Å; R569-E573 IonicContact CZ-OE1 3.86Å; R569-E573 IonicContact NE-OE1 3.8Å; R569-E573 PolarHBondContact NE-OE1 2.91Å; R569-E573 IonicContact NH2-OE1 3.7Å; R569-E573 PolarHBondContact NH2-OE1 2.86Å; R569-E573 WeakPolarHBondContact O-CG 3.39Å; R569-E573 PolarHBondContact O-N 3.27Å
570	V	90	Very high	86.1	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-76.8	-32.6	178.4	172.6	0	0	0	0	111.9	T536 Q540 V566 A567 R568 E572 E573 M574 V582 Y600	T536-V570 HydrophobicContact CG2-CG2 4.14Å; Q540-V570 HydrophobicContact CG-CG1 3.81Å; V566-V570 HydrophobicContact CG1-CG2 4.34Å; V566-V570 WeakPolarHBondContact O-CG2 3.37Å; V566-V570 PolarHBondContact O-N 3.39Å; A567-V570 PolarHBondContact O-N 3.4Å; R568-V570 VanDerWaalsContact C-N 3.32Å; R568-V570 PolarHBondContact O-N 2.98Å; V570-E572 VanDerWaalsContact C-N 3.34Å; V570-E573 PolarHBondContact O-N 3.02Å; V570-M574 HydrophobicContact CG1-CG 4.3Å; V570-M574 WeakPolarHBondContact O-CB 3.32Å; V570-M574 VanDerWaalsContact O-CG 3.29Å; V570-M574 WeakPolarHBondContact O-CG 3.41Å; V570-M574 PolarHBondContact O-N 3.34Å; V570-V582 HydrophobicContact CB-CG1 4.47Å; V570-V582 HydrophobicContact CG1-CG1 4.35Å; V570-V582 HydrophobicContact CG1-CG2 4.23Å; V570-Y600 HydrophobicContact CB-CE2 4.15Å; V570-Y600 HydrophobicContact CG1-CE2 4.34Å; V570-Y600 HydrophobicContact CG2-CE2 4.35Å; V570-Y600 WeakPolarHBondContact CG2-OH 3.4Å
571	A	90.1	Very high	86.6	Confident	3 Å²	3	50.2 Å²	50.2	3%	0.025	25%	0.247	C	C	.	.	H	α-helix	trans	-61.1	-43.2	168.9	0	0	0	0	0	111.4	A567 R568 M574 N575 V576 L578 V582	A567-A571 WeakPolarHBondContact O-CB 3.38Å; A567-A571 PolarHBondContact O-N 3.43Å; R568-A571 PolarHBondContact O-N 3.38Å; A571-M574 PolarHBondContact O-N 2.8Å; A571-N575 PolarHBondContact O-N 3.13Å; A571-V576 HydrophobicContact CB-CG2 4.08Å; A571-V576 PolarHBondContact O-N 2.83Å; A571-L578 HydrophobicContact CB-CB 4.35Å; A571-L578 HydrophobicContact CB-CD1 4.18Å; A571-V582 HydrophobicContact CB-CB 4.12Å; A571-V582 HydrophobicContact CB-CG1 4.22Å
572	E	86.5	Confident	87.4	Confident	100 Å²	100	47 Å²	47	47%	0.467	23%	0.228	S	C	.	.	H	α-helix	trans	-62.1	-45.8	172	-70.3	165.4	-170	0	0	112.5	R568 R569 V570 M574 N575	R568-E572 WeakPolarHBondContact O-CG 3.45Å; R568-E572 PolarHBondContact O-N 2.93Å; R569-E572 PolarHBondContact O-N 3.24Å; V570-E572 VanDerWaalsContact C-N 3.34Å; E572-M574 VanDerWaalsContact C-N 3.26Å; E572-M574 PolarHBondContact O-N 3.42Å; E572-N575 PolarHBondContact O-N 3.11Å; E572-N575 VanDerWaalsContact O-N 3.17Å
573	E	87.2	Confident	87.9	Confident	12 Å²	12	46.9 Å²	46.9	6%	0.056	23%	0.226	C	C	.	.	H	α-helix	trans	-65.2	-27.4	178.7	-76	-178.6	-166.3	0	0	113.9	I498 Q537 Q540 R569 V570	I498-E573 HydrophobicContact CG2-CB 4.3Å; I498-E573 HydrophobicContact CG2-CG 3.84Å; Q537-E573 PolarHBondContact NE2-OE2 3.16Å; Q540-E573 PolarHBondContact NE2-OE2 3.5Å; R569-E573 IonicContact CZ-OE1 3.86Å; R569-E573 IonicContact NE-OE1 3.8Å; R569-E573 PolarHBondContact NE-OE1 2.91Å; R569-E573 IonicContact NH2-OE1 3.7Å; R569-E573 PolarHBondContact NH2-OE1 2.86Å; R569-E573 WeakPolarHBondContact O-CG 3.39Å; R569-E573 PolarHBondContact O-N 3.27Å; V570-E573 PolarHBondContact O-N 3.02Å
574	M	86.8	Confident	88.1	Confident	44 Å²	44	47.4 Å²	47.4	22%	0.217	23%	0.228	C	C	.	.	H	α-helix	trans	-91.8	-6.7	175.8	-68.9	-68.3	-65.9	0	0	113.5	Q540 V570 A571 E572 V576	Q540-M574 HydrophobicContact CG-CG 4.24Å; Q540-M574 HydrophobicContact CG-SD 4.01Å; V570-M574 HydrophobicContact CG1-CG 4.3Å; V570-M574 WeakPolarHBondContact O-CB 3.32Å; V570-M574 VanDerWaalsContact O-CG 3.29Å; V570-M574 WeakPolarHBondContact O-CG 3.41Å; V570-M574 PolarHBondContact O-N 3.34Å; A571-M574 PolarHBondContact O-N 2.8Å; E572-M574 VanDerWaalsContact C-N 3.26Å; E572-M574 PolarHBondContact O-N 3.42Å; M574-V576 VanDerWaalsContact C-N 3.3Å; M574-V576 HydrophobicContact CB-CG1 4.29Å; M574-V576 HydrophobicContact CB-CG2 4.02Å; M574-V576 PolarHBondContact O-N 3.21Å
575	N	87.3	Confident	88.5	Confident	142 Å²	142	46.1 Å²	46.1	76%	0.759	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	34.5	-171.1	-58.8	-80.3	0	0	0	114.7	A571 E572	A571-N575 PolarHBondContact O-N 3.13Å; E572-N575 PolarHBondContact O-N 3.11Å; E572-N575 VanDerWaalsContact O-N 3.17Å
576	V	88.6	Confident	88.5	Confident	32 Å²	32	43.9 Å²	43.9	19%	0.194	21%	0.206	C	C	.	.			trans	-110	159.6	177	-59.8	0	0	0	0	111.4	A571 M574 E581 V582	A571-V576 HydrophobicContact CB-CG2 4.08Å; A571-V576 PolarHBondContact O-N 2.83Å; M574-V576 VanDerWaalsContact C-N 3.3Å; M574-V576 HydrophobicContact CB-CG1 4.29Å; M574-V576 HydrophobicContact CB-CG2 4.02Å; M574-V576 PolarHBondContact O-N 3.21Å; V576-E581 HydrophobicContact CG1-CB 4.37Å; V576-E581 HydrophobicContact CG1-CG 4.47Å; V576-E581 HydrophobicContact CG2-CB 4.44Å; V576-V582 HydrophobicContact CG2-CB 4.09Å; V576-V582 HydrophobicContact CG2-CG2 3.79Å
577	R	89	Confident	87.9	Confident	180 Å²	180	48 Å²	48	68%	0.679	22%	0.221	S	C	*	.			trans	-79.6	138.7	173.6	-65.1	169.9	169.3	176.1	-1.8	110.3	G579 E580	R577-G579 PolarHBondContact O-N 3.08Å; R577-E580 HydrophobicContact CB-CG 4.16Å; R577-E580 VanDerWaalsContact CD-OE1 3.27Å; R577-E580 WeakPolarHBondContact CD-OE1 3.2Å; R577-E580 IonicContact NH1-OE1 3.67Å; R577-E580 WeakPolarHBondContact O-CB 3.25Å; R577-E580 PolarHBondContact O-N 3.43Å
578	L	87.3	Confident	86.6	Confident	61 Å²	61	52.4 Å²	52.4	32%	0.319	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-62.1	123.9	175.1	-170	60.9	0	0	0	110	A567 R568 A571 Y584	A567-L578 HydrophobicContact CB-CD1 3.88Å; R568-L578 HydrophobicContact CB-CD2 4.11Å; R568-L578 HydrophobicContact CG-CD2 4.46Å; A571-L578 HydrophobicContact CB-CB 4.35Å; A571-L578 HydrophobicContact CB-CD1 4.18Å; L578-Y584 HydrophobicContact CD1-CD1 4.04Å; L578-Y584 HydrophobicContact CD1-CE1 4.35Å; L578-Y584 HydrophobicContact CD2-CD1 4.27Å; L578-Y584 HydrophobicContact CD2-CE1 3.78Å; L578-Y584 HydrophobicContact CG-CD1 4.24Å; L578-Y584 HydrophobicContact CG-CE1 4.05Å
579	G	86	Confident	85.9	Confident	16 Å²	16	53.6 Å²	53.6	17%	0.165	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.1	-12.5	-173.8	0	0	0	0	0	114.9	R577 V582 C591 S593	R577-G579 PolarHBondContact O-N 3.08Å; G579-V582 PolarHBondContact N-O 3.36Å; G579-C591 WeakPolarHBondContact CA-O 3.42Å; G579-S593 WeakPolarHBondContact O-CB 3.39Å; G579-S593 PolarHBondContact O-OG 2.92Å
580	E	90.5	Very high	85.7	Confident	88 Å²	88	53.1 Å²	53.1	41%	0.411	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-107.7	170.7	-67.1	173.5	-178.6	0	0	109.2	R577 S593 S595 T596	R577-E580 HydrophobicContact CB-CG 4.16Å; R577-E580 VanDerWaalsContact CD-OE1 3.27Å; R577-E580 WeakPolarHBondContact CD-OE1 3.2Å; R577-E580 IonicContact NH1-OE1 3.67Å; R577-E580 WeakPolarHBondContact O-CB 3.25Å; R577-E580 PolarHBondContact O-N 3.43Å; E580-S593 PolarHBondContact O-OG 3.42Å; E580-S595 CarbonylContact O-C 3.59Å; E580-T596 WeakPolarHBondContact O-CA 3.23Å; E580-T596 WeakPolarHBondContact O-CB 3.42Å; E580-T596 PolarHBondContact O-N 3.01Å; E580-T596 PolarHBondContact O-OG1 2.95Å
581	E	92.1	Very high	85.5	Confident	78 Å²	78	55.1 Å²	55.1	36%	0.364	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-32.8	-179.7	-63.9	-175	-179.7	0	0	113.7	V576 L597 I598	V576-E581 HydrophobicContact CG1-CB 4.37Å; V576-E581 HydrophobicContact CG1-CG 4.47Å; V576-E581 HydrophobicContact CG2-CB 4.44Å; E581-L597 PolarHBondContact O-N 3.45Å; E581-I598 PolarHBondContact O-N 2.76Å
582	V	93.8	Very high	85.4	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.006	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	119.6	176.4	178.7	0	0	0	0	108.3	A567 V570 A571 V576 G579 I598 Y600	A567-V582 WeakPolarHBondContact O-CG1 3.31Å; V570-V582 HydrophobicContact CB-CG1 4.47Å; V570-V582 HydrophobicContact CG1-CG1 4.35Å; V570-V582 HydrophobicContact CG1-CG2 4.23Å; A571-V582 HydrophobicContact CB-CB 4.12Å; A571-V582 HydrophobicContact CB-CG1 4.22Å; V576-V582 HydrophobicContact CG2-CB 4.09Å; V576-V582 HydrophobicContact CG2-CG2 3.79Å; G579-V582 PolarHBondContact N-O 3.36Å; V582-I598 WeakPolarHBondContact CA-O 3.39Å; V582-I598 HydrophobicContact CG2-CB 4.32Å; V582-I598 HydrophobicContact CG2-CD1 4.39Å; V582-Y600 HydrophobicContact CG1-CD2 4.34Å; V582-Y600 HydrophobicContact CG1-CE2 4.31Å
583	G	92.8	Very high	85.4	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	172.6	-178.8	0	0	0	0	0	112.9	C591 I598 Y600	G583-C591 CarbonylContact C-O 3.54Å; G583-C591 WeakPolarHBondContact CA-O 3.49Å; G583-I598 PolarHBondContact N-O 2.93Å; G583-Y600 PolarHBondContact O-N 2.96Å
584	Y	90.9	Very high	85.4	Confident	11 Å²	11	59.8 Å²	59.8	4%	0.043	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	148.4	171	67.8	-84.8	0	0	0	113.6	M564 A567 L578 I586 E589 C591 Y600	M564-Y584 HydrophobicContact CE-CE2 4.03Å; M564-Y584 HydrophobicContact CG-CD2 3.89Å; M564-Y584 HydrophobicContact CG-CE2 3.65Å; A567-Y584 HydrophobicContact CB-CD1 4.06Å; A567-Y584 HydrophobicContact CB-CG 4.35Å; L578-Y584 HydrophobicContact CD1-CD1 4.04Å; L578-Y584 HydrophobicContact CD1-CE1 4.35Å; L578-Y584 HydrophobicContact CD2-CD1 4.27Å; L578-Y584 HydrophobicContact CD2-CE1 3.78Å; L578-Y584 HydrophobicContact CG-CD1 4.24Å; L578-Y584 HydrophobicContact CG-CE1 4.05Å; Y584-I586 HydrophobicContact CD2-CD1 4.48Å; Y584-I586 HydrophobicContact CD2-CG1 4.44Å; Y584-I586 HydrophobicContact CD2-CG2 4.27Å; Y584-I586 HydrophobicContact CE2-CD1 4.24Å; Y584-I586 HydrophobicContact CE2-CG1 4.45Å; Y584-E589 HydrophobicContact CE2-CG 4.05Å; Y584-E589 PolarHBondContact OH-OE1 3.44Å; Y584-C591 HydrophobicContact CD1-CB 3.84Å; Y584-C591 HydrophobicContact CE1-CB 3.47Å; Y584-C591 VanDerWaalsContact CE1-CB 3.47Å; Y584-C591 HydrophobicContact CE2-CB 4.23Å; Y584-C591 HydrophobicContact CG-CB 4.35Å; Y584-C591 VanDerWaalsContact CZ-SG 3.58Å; Y584-C591 PolarHBondContact N-O 2.89Å; Y584-C591 CarbonylContact O-C 3.58Å; Y584-C591 WeakPolarHBondContact O-CA 3.47Å; Y584-C591 PolarHBondContact O-N 3.15Å; Y584-C591 PolarHBondContact OH-SG 2.82Å; Y584-C591 VanDerWaalsContact OH-SG 3.4Å; Y584-Y600 CarbonylContact C-O 3.6Å; Y584-Y600 WeakPolarHBondContact CA-O 3.31Å; Y584-Y600 WeakPolarHBondContact CB-O 3.31Å
585	A	88.4	Confident	85.5	Confident	2 Å²	2	60.7 Å²	60.7	2%	0.017	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	116.2	175.6	0	0	0	0	0	110.7	Y600 M601 T602 I605	A585-Y600 PolarHBondContact N-O 3.48Å; A585-M601 HydrophobicContact CB-CB 4.35Å; A585-M601 WeakPolarHBondContact O-CA 3.43Å; A585-M601 VanDerWaalsContact O-CB 3.29Å; A585-M601 WeakPolarHBondContact O-CB 3.17Å; A585-T602 PolarHBondContact O-N 2.99Å; A585-I605 HydrophobicContact CB-CG2 4.08Å
586	I	82.7	Confident	85.7	Confident	5 Å²	5	54.2 Å²	54.2	3%	0.026	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	166.6	176.9	66	-177.7	0	0	0	109.9	R560 A563 M564 Y584 F588 E589 T602	R560-I586 HydrophobicContact CB-CD1 4.25Å; R560-I586 HydrophobicContact CG-CB 4.29Å; A563-I586 HydrophobicContact CB-CG2 3.87Å; M564-I586 HydrophobicContact CE-CD1 4.39Å; M564-I586 HydrophobicContact CG-CD1 3.8Å; M564-I586 HydrophobicContact SD-CD1 3.57Å; M564-I586 VanDerWaalsContact SD-CD1 3.57Å; Y584-I586 HydrophobicContact CD2-CD1 4.48Å; Y584-I586 HydrophobicContact CD2-CG1 4.44Å; Y584-I586 HydrophobicContact CD2-CG2 4.27Å; Y584-I586 HydrophobicContact CE2-CD1 4.24Å; Y584-I586 HydrophobicContact CE2-CG1 4.45Å; I586-F588 PolarHBondContact O-N 3.42Å; I586-F588 VanDerWaalsContact O-N 3.12Å; I586-E589 HydrophobicContact CD1-CB 4.2Å; I586-E589 HydrophobicContact CG1-CB 3.77Å; I586-E589 HydrophobicContact CG1-CG 4.47Å; I586-E589 WeakPolarHBondContact CG1-O 3.22Å; I586-E589 PolarHBondContact N-O 3.17Å; I586-E589 CarbonylContact O-C 3.55Å; I586-E589 PolarHBondContact O-N 3.31Å; I586-E589 VanDerWaalsContact O-N 3.08Å; I586-T602 HydrophobicContact CB-CG2 4.45Å; I586-T602 HydrophobicContact CG2-CG2 4.01Å
587	R	73.5	Confident	85.9	Confident	101 Å²	101	55.2 Å²	55.2	38%	0.381	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	124.1	176.5	-169.4	-177.8	171.7	152.5	3.5	110	R560 E589 P924	R560-R587 PolarHBondContact NH2-O 3.43Å; R560-R587 VanDerWaalsContact NH2-O 3.16Å; R587-E589 VanDerWaalsContact C-N 3.33Å; R587-P924 PolarHBondContact NH2-O 3.17Å
588	F	64.2	Low	86.3	Confident	92 Å²	92	46.8 Å²	46.8	40%	0.404	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	1.9	-177.9	-45.5	-59.9	0	0	0	117.2	I586	I586-F588 PolarHBondContact O-N 3.42Å; I586-F588 VanDerWaalsContact O-N 3.12Å
589	E	70.8	Confident	86.6	Confident	72 Å²	72	44.6 Å²	44.6	34%	0.336	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	117.6	-178.3	-179	177.9	-169	0	0	110.5	Y584 I586 R587	Y584-E589 HydrophobicContact CE2-CG 4.05Å; Y584-E589 PolarHBondContact OH-OE1 3.44Å; I586-E589 HydrophobicContact CD1-CB 4.2Å; I586-E589 HydrophobicContact CG1-CB 3.77Å; I586-E589 HydrophobicContact CG1-CG 4.47Å; I586-E589 WeakPolarHBondContact CG1-O 3.22Å; I586-E589 PolarHBondContact N-O 3.17Å; I586-E589 CarbonylContact O-C 3.55Å; I586-E589 PolarHBondContact O-N 3.31Å; I586-E589 VanDerWaalsContact O-N 3.08Å; R587-E589 VanDerWaalsContact C-N 3.33Å
590	D	81.7	Confident	87.1	Confident	76 Å²	76	43.8 Å²	43.8	41%	0.406	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	115.4	179	-166.7	-16.7	0	0	0	109.3	T592	D590-T592 WeakPolarHBondContact OD1-CB 3.49Å; D590-T592 VanDerWaalsContact OD1-CG2 3.32Å; D590-T592 WeakPolarHBondContact OD1-CG2 3.39Å; D590-T592 PolarHBondContact OD1-N 2.96Å; D590-T592 PolarHBondContact OD1-OG1 3.44Å
591	C	86.2	Confident	87.2	Confident	42 Å²	42	39.6 Å²	39.6	28%	0.284	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	62	176.8	-72.3	0	0	0	0	108.7	G579 G583 Y584	G579-C591 WeakPolarHBondContact CA-O 3.42Å; G583-C591 CarbonylContact C-O 3.54Å; G583-C591 WeakPolarHBondContact CA-O 3.49Å; Y584-C591 HydrophobicContact CD1-CB 3.84Å; Y584-C591 HydrophobicContact CE1-CB 3.47Å; Y584-C591 VanDerWaalsContact CE1-CB 3.47Å; Y584-C591 HydrophobicContact CE2-CB 4.23Å; Y584-C591 HydrophobicContact CG-CB 4.35Å; Y584-C591 VanDerWaalsContact CZ-SG 3.58Å; Y584-C591 PolarHBondContact N-O 2.89Å; Y584-C591 CarbonylContact O-C 3.58Å; Y584-C591 WeakPolarHBondContact O-CA 3.47Å; Y584-C591 PolarHBondContact O-N 3.15Å; Y584-C591 PolarHBondContact OH-SG 2.82Å; Y584-C591 VanDerWaalsContact OH-SG 3.4Å
592	T	86.7	Confident	87.1	Confident	49 Å²	49	36.6 Å²	36.6	30%	0.301	20%	0.2	S	C	.	.			trans	-124.9	161.4	172	62	0	0	0	0	111	D590 T596 K599	D590-T592 WeakPolarHBondContact OD1-CB 3.49Å; D590-T592 VanDerWaalsContact OD1-CG2 3.32Å; D590-T592 WeakPolarHBondContact OD1-CG2 3.39Å; D590-T592 PolarHBondContact OD1-N 2.96Å; D590-T592 PolarHBondContact OD1-OG1 3.44Å; T592-T596 HydrophobicContact CG2-CG2 4.27Å; T592-K599 HydrophobicContact CG2-CD 4.13Å; T592-K599 HydrophobicContact CG2-CG 4.01Å
593	S	87.4	Confident	87	Confident	36 Å²	36	36.7 Å²	36.7	25%	0.252	20%	0.201	S	C	.	.			trans	-138	168.6	178.6	63.2	0	0	0	0	110.6	G579 E580 S595 T596	G579-S593 WeakPolarHBondContact O-CB 3.39Å; G579-S593 PolarHBondContact O-OG 2.92Å; E580-S593 PolarHBondContact O-OG 3.42Å; S593-S595 PolarHBondContact O-N 2.87Å; S593-S595 PolarHBondContact OG-N 3.41Å; S593-S595 PolarHBondContact OG-OG 2.94Å; S593-T596 PolarHBondContact N-OG1 3.19Å; S593-T596 WeakPolarHBondContact O-CB 3.31Å; S593-T596 PolarHBondContact O-N 3.35Å; S593-T596 PolarHBondContact O-OG1 3.01Å; S593-T596 PolarHBondContact OG-OG1 3.38Å
594	P	86.7	Confident	86.6	Confident	127 Å²	127	38 Å²	38	83%	0.825	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-15	173	-24	35.4	0	0	0	114.4
595	S	89.5	Confident	86.6	Confident	64 Å²	64	38.6 Å²	38.6	45%	0.448	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-2.6	174.1	39.5	0	0	0	0	114.2	E580 S593 L597	E580-S595 CarbonylContact O-C 3.59Å; S593-S595 PolarHBondContact O-N 2.87Å; S593-S595 PolarHBondContact OG-N 3.41Å; S593-S595 PolarHBondContact OG-OG 2.94Å; S595-L597 PolarHBondContact O-N 2.61Å
596	T	91.1	Very high	86.7	Confident	5 Å²	5	38.5 Å²	38.5	3%	0.031	22%	0.217	C	C	.	.			trans	-69.8	123	-179.5	-60.8	0	0	0	0	111.1	M552 E580 T592 S593 I598 K599	M552-T596 WeakPolarHBondContact CG-O 3.15Å; E580-T596 WeakPolarHBondContact O-CA 3.23Å; E580-T596 WeakPolarHBondContact O-CB 3.42Å; E580-T596 PolarHBondContact O-N 3.01Å; E580-T596 PolarHBondContact O-OG1 2.95Å; T592-T596 HydrophobicContact CG2-CG2 4.27Å; S593-T596 PolarHBondContact N-OG1 3.19Å; S593-T596 WeakPolarHBondContact O-CB 3.31Å; S593-T596 PolarHBondContact O-N 3.35Å; S593-T596 PolarHBondContact O-OG1 3.01Å; S593-T596 PolarHBondContact OG-OG1 3.38Å; T596-I598 VanDerWaalsContact CG2-O 3.31Å; T596-I598 WeakPolarHBondContact CG2-O 3.35Å; T596-K599 HydrophobicContact CG2-CB 4.29Å
597	L	93.8	Very high	87	Confident	53 Å²	53	38.6 Å²	38.6	28%	0.277	22%	0.217	S	C	.	.	S	Bend	trans	-105.2	-33	178.4	-59.1	-179.6	0	0	0	111.6	T548 M552 V553 E581 S595	T548-L597 HydrophobicContact CG2-CB 3.92Å; M552-L597 WeakPolarHBondContact CA-O 3.21Å; V553-L597 PolarHBondContact N-O 2.86Å; E581-L597 PolarHBondContact O-N 3.45Å; S595-L597 PolarHBondContact O-N 2.61Å
598	I	95.5	Very high	87.4	Confident	3 Å²	3	38 Å²	38	2%	0.015	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	116.1	176.5	-56.9	176.8	0	0	0	108.5	T539 H543 E581 V582 G583 T596 Y600	T539-I598 HydrophobicContact CG2-CG2 4.08Å; H543-I598 HydrophobicContact CB-CD1 3.9Å; H543-I598 HydrophobicContact CB-CG1 4.33Å; E581-I598 PolarHBondContact O-N 2.76Å; V582-I598 WeakPolarHBondContact CA-O 3.39Å; V582-I598 HydrophobicContact CG2-CB 4.32Å; V582-I598 HydrophobicContact CG2-CD1 4.39Å; G583-I598 PolarHBondContact N-O 2.93Å; T596-I598 VanDerWaalsContact CG2-O 3.31Å; T596-I598 WeakPolarHBondContact CG2-O 3.35Å; I598-Y600 HydrophobicContact CG2-CD2 4.19Å; I598-Y600 HydrophobicContact CG2-CE2 3.7Å
599	K	95.1	Very high	88.5	Confident	15 Å²	15	35.7 Å²	35.7	7%	0.065	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	112	-178	-178.3	175.4	168.8	-171.8	0	110.7	V553 G554 C555 T592 T596 M601 E609 Y619	V553-K599 PolarHBondContact O-N 3.02Å; G554-K599 WeakPolarHBondContact CA-O 3.33Å; C555-K599 PolarHBondContact N-O 3.39Å; T592-K599 HydrophobicContact CG2-CD 4.13Å; T592-K599 HydrophobicContact CG2-CG 4.01Å; T596-K599 HydrophobicContact CG2-CB 4.29Å; K599-M601 HydrophobicContact CB-CE 4.46Å; K599-M601 HydrophobicContact CD-CE 4.25Å; K599-M601 HydrophobicContact CG-CE 4.13Å; K599-E609 VanDerWaalsContact NZ-CD 3.3Å; K599-E609 IonicContact NZ-OE1 3.05Å; K599-E609 PolarHBondContact NZ-OE1 3.03Å; K599-E609 IonicContact NZ-OE2 2.68Å; K599-E609 PolarHBondContact NZ-OE2 3.46Å; K599-Y619 HydrophobicContact CD-CE1 4.42Å; K599-Y619 WeakPolarHBondContact CD-OH 3.44Å; K599-Y619 WeakPolarHBondContact CE-OH 3.32Å; K599-Y619 PolarHBondContact NZ-OH 3.39Å
600	Y	95.2	Very high	89.3	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	131.4	169.7	-74.4	-80.9	0	0	0	110.2	T535 T539 C555 V566 A567 V570 V582 G583 Y584 A585 I598	T535-Y600 PolarHBondContact O-OH 3.05Å; T535-Y600 VanDerWaalsContact O-OH 3.12Å; T539-Y600 HydrophobicContact CG2-CE1 4.14Å; T539-Y600 WeakPolarHBondContact CG2-OH 3.4Å; T539-Y600 PolarHBondContact OG1-OH 3.17Å; C555-Y600 HydrophobicContact CB-CD1 3.71Å; C555-Y600 HydrophobicContact CB-CE1 3.64Å; C555-Y600 CarbonylContact O-C 3.58Å; C555-Y600 WeakPolarHBondContact O-CA 3.31Å; V566-Y600 HydrophobicContact CB-CD1 4.42Å; V566-Y600 HydrophobicContact CB-CE1 4.31Å; V566-Y600 HydrophobicContact CG1-CD1 3.86Å; V566-Y600 HydrophobicContact CG1-CE1 3.29Å; V566-Y600 HydrophobicContact CG1-CE2 4.23Å; A567-Y600 HydrophobicContact CB-CD2 3.69Å; A567-Y600 HydrophobicContact CB-CG 4.05Å; V570-Y600 HydrophobicContact CB-CE2 4.15Å; V570-Y600 HydrophobicContact CG1-CE2 4.34Å; V570-Y600 HydrophobicContact CG2-CE2 4.35Å; V570-Y600 WeakPolarHBondContact CG2-OH 3.4Å; V582-Y600 HydrophobicContact CG1-CD2 4.34Å; V582-Y600 HydrophobicContact CG1-CE2 4.31Å; G583-Y600 PolarHBondContact O-N 2.96Å; Y584-Y600 CarbonylContact C-O 3.6Å; Y584-Y600 WeakPolarHBondContact CA-O 3.31Å; Y584-Y600 WeakPolarHBondContact CB-O 3.31Å; A585-Y600 PolarHBondContact N-O 3.48Å; I598-Y600 HydrophobicContact CG2-CD2 4.19Å; I598-Y600 HydrophobicContact CG2-CE2 3.7Å
601	M	93.5	Very high	89.1	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	159.9	-177.5	68.1	-165.3	105.6	0	0	112.9	C555 T556 Q557 A585 K599 I605 L606 Y619	C555-M601 PolarHBondContact O-N 3.09Å; T556-M601 CarbonylContact C-O 3.57Å; T556-M601 VanDerWaalsContact CA-O 3.23Å; T556-M601 WeakPolarHBondContact CA-O 3.44Å; T556-M601 HydrophobicContact CG2-CG 4.36Å; Q557-M601 PolarHBondContact N-O 2.97Å; A585-M601 HydrophobicContact CB-CB 4.35Å; A585-M601 WeakPolarHBondContact O-CA 3.43Å; A585-M601 VanDerWaalsContact O-CB 3.29Å; A585-M601 WeakPolarHBondContact O-CB 3.17Å; K599-M601 HydrophobicContact CB-CE 4.46Å; K599-M601 HydrophobicContact CD-CE 4.25Å; K599-M601 HydrophobicContact CG-CE 4.13Å; M601-I605 HydrophobicContact CB-CB 4.32Å; M601-I605 HydrophobicContact CB-CG2 4.26Å; M601-I605 HydrophobicContact SD-CG2 4.46Å; M601-L606 HydrophobicContact CE-CD1 4.46Å; M601-L606 HydrophobicContact CG-CB 4.42Å; M601-L606 HydrophobicContact SD-CB 3.76Å; M601-L606 HydrophobicContact SD-CD1 4.09Å; M601-L606 HydrophobicContact SD-CG 4.46Å; M601-Y619 HydrophobicContact CE-CE1 3.77Å
602	T	90.4	Very high	88.6	Confident	15 Å²	15	37.1 Å²	37.1	9%	0.092	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	145.6	166.3	45.6	0	0	0	0	111.1	Q557 R560 A585 I586 G604 I605	Q557-T602 VanDerWaalsContact O-CA 3.31Å; Q557-T602 WeakPolarHBondContact O-CA 3.38Å; R560-T602 HydrophobicContact CB-CG2 4.42Å; R560-T602 HydrophobicContact CG-CG2 3.83Å; A585-T602 PolarHBondContact O-N 2.99Å; I586-T602 HydrophobicContact CB-CG2 4.45Å; I586-T602 HydrophobicContact CG2-CG2 4.01Å; T602-G604 PolarHBondContact O-N 3.01Å; T602-G604 VanDerWaalsContact O-N 3.09Å; T602-I605 WeakPolarHBondContact O-CB 3.42Å; T602-I605 PolarHBondContact O-N 3.48Å; T602-I605 WeakPolarHBondContact OG1-CG1 3.05Å
603	D	90.3	Very high	88.4	Confident	3 Å²	3	38 Å²	38	2%	0.016	20%	0.201	C	C	.	.	H	α-helix	trans	-45.4	-44.1	177.5	-66.3	8.7	0	0	0	113	T556 I605 L606 L607 N633 T634 L637	T556-D603 WeakPolarHBondContact CB-OD1 3.49Å; T556-D603 PolarHBondContact OG1-OD1 3.43Å; D603-I605 PolarHBondContact O-N 3.33Å; D603-L606 PolarHBondContact O-N 2.93Å; D603-L607 WeakPolarHBondContact O-CB 3.32Å; D603-L607 PolarHBondContact O-N 3.26Å; D603-N633 HydrophobicContact CB-CB 3.77Å; D603-T634 WeakPolarHBondContact OD2-CB 3.23Å; D603-T634 PolarHBondContact OD2-OG1 2.95Å; D603-L637 HydrophobicContact CB-CD1 3.93Å; D603-L637 WeakPolarHBondContact O-CD1 3.45Å
604	G	86.2	Confident	88.1	Confident	26 Å²	26	39.5 Å²	39.5	27%	0.268	21%	0.211	S	C	.	.	H	α-helix	trans	-64.6	-16.3	178.3	0	0	0	0	0	115.8	T602 R608	T602-G604 PolarHBondContact O-N 3.01Å; T602-G604 VanDerWaalsContact O-N 3.09Å; G604-R608 PolarHBondContact O-N 3.37Å
605	I	89.3	Confident	88	Confident	25 Å²	25	35.5 Å²	35.5	13%	0.128	18%	0.183	C	C	.	.	H	α-helix	trans	-81.4	-49.3	173	-67.3	-67	0	0	0	110.1	A585 M601 T602 D603 L607 R608 E609	A585-I605 HydrophobicContact CB-CG2 4.08Å; M601-I605 HydrophobicContact CB-CB 4.32Å; M601-I605 HydrophobicContact CB-CG2 4.26Å; M601-I605 HydrophobicContact SD-CG2 4.46Å; T602-I605 WeakPolarHBondContact O-CB 3.42Å; T602-I605 PolarHBondContact O-N 3.48Å; T602-I605 WeakPolarHBondContact OG1-CG1 3.05Å; D603-I605 PolarHBondContact O-N 3.33Å; I605-L607 PolarHBondContact O-N 3.06Å; I605-R608 PolarHBondContact O-N 3.38Å; I605-E609 WeakPolarHBondContact CG2-OE1 3.46Å; I605-E609 PolarHBondContact O-N 2.95Å
606	L	91.6	Very high	88	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-57.4	-39.7	174	-175.4	62.8	0	0	0	111.1	T556 M601 D603 R608 E609 S610 L616 Y619 I622 M624 L637	T556-L606 HydrophobicContact CG2-CB 4.26Å; T556-L606 HydrophobicContact CG2-CD2 3.55Å; M601-L606 HydrophobicContact CE-CD1 4.46Å; M601-L606 HydrophobicContact CG-CB 4.42Å; M601-L606 HydrophobicContact SD-CB 3.76Å; M601-L606 HydrophobicContact SD-CD1 4.09Å; M601-L606 HydrophobicContact SD-CG 4.46Å; D603-L606 PolarHBondContact O-N 2.93Å; L606-R608 VanDerWaalsContact C-N 3.34Å; L606-R608 PolarHBondContact O-N 3.01Å; L606-E609 PolarHBondContact O-N 2.8Å; L606-S610 PolarHBondContact O-N 3.16Å; L606-L616 HydrophobicContact CD1-CD1 4.16Å; L606-L616 HydrophobicContact CD1-CD2 3.97Å; L606-Y619 HydrophobicContact CD1-CE2 4.09Å; L606-I622 HydrophobicContact CD1-CD1 4.45Å; L606-I622 HydrophobicContact CD2-CD1 4.42Å; L606-I622 HydrophobicContact CD2-CG2 3.89Å; L606-M624 HydrophobicContact CD2-SD 4.32Å; L606-L637 HydrophobicContact CB-CD1 4.31Å; L606-L637 HydrophobicContact CB-CD2 4.46Å; L606-L637 HydrophobicContact CD2-CD1 4.21Å; L606-L637 HydrophobicContact CD2-CD2 4.17Å; L606-L637 HydrophobicContact CG-CD2 4.12Å
607	L	88	Confident	87.9	Confident	7 Å²	7	37.5 Å²	37.5	4%	0.037	19%	0.189	C	C	.	.	H	α-helix	trans	-62.5	-39	176.8	-173.8	58	0	0	0	112.4	D603 I605 S610 N633 V636 L637 L640 L871	D603-L607 WeakPolarHBondContact O-CB 3.32Å; D603-L607 PolarHBondContact O-N 3.26Å; I605-L607 PolarHBondContact O-N 3.06Å; L607-S610 PolarHBondContact O-N 3.18Å; L607-S610 PolarHBondContact O-OG 3.33Å; L607-N633 HydrophobicContact CD2-CB 4.18Å; L607-N633 WeakPolarHBondContact CD2-OD1 3.43Å; L607-V636 HydrophobicContact CD1-CG1 3.74Å; L607-V636 HydrophobicContact CD2-CB 4.49Å; L607-V636 HydrophobicContact CD2-CG1 4.23Å; L607-L637 HydrophobicContact CB-CD2 4.05Å; L607-L637 HydrophobicContact CB-CG 4.2Å; L607-L637 HydrophobicContact CD1-CD2 3.96Å; L607-L637 HydrophobicContact CD1-CG 4.21Å; L607-L640 HydrophobicContact CD1-CD1 3.47Å; L607-L640 VanDerWaalsContact CD1-CD1 3.47Å; L607-L871 HydrophobicContact CD1-CD2 3.78Å; L607-L871 HydrophobicContact CD2-CD2 3.59Å; L607-L871 HydrophobicContact CG-CD2 3.65Å
608	R	83.2	Confident	87.7	Confident	88 Å²	88	37.2 Å²	37.2	33%	0.332	19%	0.19	S	C	.	.	H	α-helix	trans	-71.9	-35.4	173.8	-178.2	170.3	-66.1	151.8	7.8	112.8	G604 I605 L606 S610 L611 P924	G604-R608 PolarHBondContact O-N 3.37Å; I605-R608 PolarHBondContact O-N 3.38Å; L606-R608 VanDerWaalsContact C-N 3.34Å; L606-R608 PolarHBondContact O-N 3.01Å; R608-S610 VanDerWaalsContact C-N 3.29Å; R608-S610 PolarHBondContact O-N 3.24Å; R608-L611 HydrophobicContact CG-CD1 4.4Å; R608-L611 WeakPolarHBondContact O-CB 3.37Å; R608-L611 PolarHBondContact O-N 3.24Å; R608-P924 VanDerWaalsContact NH2-CB 3.27Å
609	E	87.3	Confident	87.6	Confident	44 Å²	44	37.2 Å²	37.2	21%	0.206	19%	0.19	C	C	.	.	H	α-helix	trans	-62.6	-38.9	173.5	-72.7	174	-162	0	0	110.8	K599 I605 L606 L611 R612 E613 L616 Y619	K599-E609 VanDerWaalsContact NZ-CD 3.3Å; K599-E609 IonicContact NZ-OE1 3.05Å; K599-E609 PolarHBondContact NZ-OE1 3.03Å; K599-E609 IonicContact NZ-OE2 2.68Å; K599-E609 PolarHBondContact NZ-OE2 3.46Å; I605-E609 WeakPolarHBondContact CG2-OE1 3.46Å; I605-E609 PolarHBondContact O-N 2.95Å; L606-E609 PolarHBondContact O-N 2.8Å; E609-L611 PolarHBondContact O-N 2.81Å; E609-L611 VanDerWaalsContact O-N 3.15Å; E609-R612 PolarHBondContact O-N 3.44Å; E609-E613 PolarHBondContact O-N 3.29Å; E609-L616 HydrophobicContact CB-CD2 4.39Å; E609-Y619 WeakPolarHBondContact OE2-CE2 3.49Å; E609-Y619 PolarHBondContact OE2-OH 3.11Å
610	S	85.7	Confident	87.6	Confident	7 Å²	7	37 Å²	37	5%	0.049	19%	0.19	C	C	.	.	H	α-helix	trans	-63.2	-18.1	175.8	80	0	0	0	0	115.2	L606 L607 R608 S614 L875	L606-S610 PolarHBondContact O-N 3.16Å; L607-S610 PolarHBondContact O-N 3.18Å; L607-S610 PolarHBondContact O-OG 3.33Å; R608-S610 VanDerWaalsContact C-N 3.29Å; R608-S610 PolarHBondContact O-N 3.24Å; S610-S614 WeakPolarHBondContact O-CA 3.4Å; S610-L875 WeakPolarHBondContact O-CD2 3.37Å
611	L	78.3	Confident	87.6	Confident	45 Å²	45	37 Å²	37	24%	0.236	19%	0.19	C	C	.	.	H	α-helix	trans	-73.4	-34.7	171.7	-63.8	168.1	0	0	0	112.7	R608 E609 L871 S874 L875 V921	R608-L611 HydrophobicContact CG-CD1 4.4Å; R608-L611 WeakPolarHBondContact O-CB 3.37Å; R608-L611 PolarHBondContact O-N 3.24Å; E609-L611 PolarHBondContact O-N 2.81Å; E609-L611 VanDerWaalsContact O-N 3.15Å; L611-L871 HydrophobicContact CD1-CD1 3.56Å; L611-L871 HydrophobicContact CD2-CD1 3.44Å; L611-L871 VanDerWaalsContact CD2-CD1 3.44Å; L611-L871 HydrophobicContact CD2-CG 4.1Å; L611-L871 HydrophobicContact CG-CD1 3.82Å; L611-S874 WeakPolarHBondContact CD2-OG 3.47Å; L611-L875 HydrophobicContact CD2-CD1 4.14Å; L611-L875 HydrophobicContact CD2-CD2 3.76Å; L611-L875 HydrophobicContact CD2-CG 3.7Å; L611-V921 HydrophobicContact CD1-CG1 3.91Å; L611-V921 HydrophobicContact CD2-CG1 4.24Å
612	R	76	Confident	87.7	Confident	168 Å²	168	37 Å²	37	63%	0.634	19%	0.19	S	C	*	.	H	α-helix	trans	-85	-42.9	-178	-64.2	179	173.2	-178.4	-5.3	110.6	E609	E609-R612 PolarHBondContact O-N 3.44Å
613	E	83.1	Confident	87.9	Confident	67 Å²	67	36.4 Å²	36.4	31%	0.313	19%	0.186	S	C	.	.			trans	-125.1	88.8	-176.7	-67.5	174.4	-176	0	0	108.5	E609 D615 L616 P618	E609-E613 PolarHBondContact O-N 3.29Å; E613-D615 PolarHBondContact O-N 3.01Å; E613-L616 PolarHBondContact O-N 3.44Å; E613-P618 WeakPolarHBondContact OE2-CD 3.35Å; E613-P618 WeakPolarHBondContact OE2-CG 3.26Å
614	S	80.7	Confident	88.1	Confident	67 Å²	67	36.2 Å²	36.2	47%	0.469	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-20.3	-173.6	54.3	0	0	0	0	115	S610 V644 R647	S610-S614 WeakPolarHBondContact O-CA 3.4Å; S614-V644 WeakPolarHBondContact O-CG2 3.31Å; S614-R647 PolarHBondContact O-NH2 2.82Å
615	D	84.9	Confident	88.3	Confident	44 Å²	44	35 Å²	35	24%	0.235	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-0.3	179.8	-69.2	-60	0	0	0	113.4	E613 D617 R647 R648	E613-D615 PolarHBondContact O-N 3.01Å; D615-D617 VanDerWaalsContact C-N 3.32Å; D615-D617 PolarHBondContact O-N 3.43Å; D615-R647 IonicContact OD1-CZ 2.69Å; D615-R647 IonicContact OD1-NE 3.53Å; D615-R647 PolarHBondContact OD1-NE 2.91Å; D615-R647 IonicContact OD1-NH2 3.44Å; D615-R647 PolarHBondContact OD1-NH2 3.27Å; D615-R647 IonicContact OD2-NH2 2.7Å; D615-R648 WeakPolarHBondContact O-CD 3.11Å; D615-R648 PolarHBondContact O-NH1 3.5Å
616	L	89.7	Confident	88.2	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.01	17%	0.169	C	C	.	.			trans	55.8	39.4	176	-63.1	171.3	0	0	0	114.1	L606 E609 E613 P618 Y619 I622 L641 R648	L606-L616 HydrophobicContact CD1-CD1 4.16Å; L606-L616 HydrophobicContact CD1-CD2 3.97Å; E609-L616 HydrophobicContact CB-CD2 4.39Å; E613-L616 PolarHBondContact O-N 3.44Å; L616-P618 VanDerWaalsContact C-N 3.33Å; L616-P618 VanDerWaalsContact O-N 3.13Å; L616-Y619 HydrophobicContact CB-CD2 4.23Å; L616-Y619 PolarHBondContact O-N 3.32Å; L616-Y619 VanDerWaalsContact O-N 3.07Å; L616-I622 HydrophobicContact CD1-CD1 3.81Å; L616-L641 HydrophobicContact CD1-CD2 3.76Å; L616-R648 PolarHBondContact O-NH1 3.47Å
617	D	87.4	Confident	88	Confident	109 Å²	109	34.3 Å²	34.3	58%	0.583	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.6	-37.2	-173.5	-67	-14.8	0	0	0	116.2	D615 Y619 R648	D615-D617 VanDerWaalsContact C-N 3.32Å; D615-D617 PolarHBondContact O-N 3.43Å; D617-Y619 PolarHBondContact O-N 2.52Å; D617-Y619 VanDerWaalsContact O-N 3.11Å; D617-R648 IonicContact OD1-NH1 2.99Å
618	P	90	Very high	87.8	Confident	47 Å²	47	34.5 Å²	34.5	31%	0.305	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-14	179.8	-24.1	35.2	0	0	0	115.2	G551 M552 E613 L616	G551-P618 CarbonylContact C-O 3.57Å; G551-P618 WeakPolarHBondContact CA-O 3.03Å; M552-P618 HydrophobicContact CE-CB 3.56Å; M552-P618 PolarHBondContact N-O 3.32Å; E613-P618 WeakPolarHBondContact OE2-CD 3.35Å; E613-P618 WeakPolarHBondContact OE2-CG 3.26Å; L616-P618 VanDerWaalsContact C-N 3.33Å; L616-P618 VanDerWaalsContact O-N 3.13Å
619	Y	93.8	Very high	87.6	Confident	3 Å²	3	33.3 Å²	33.3	1%	0.012	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	134.8	-176.8	-60.2	-76.8	0	0	0	112.3	M552 K599 M601 L606 E609 L616 D617 I622 R648	M552-Y619 HydrophobicContact CB-CD1 3.98Å; M552-Y619 HydrophobicContact CB-CE1 4.2Å; M552-Y619 HydrophobicContact CE-CE1 4.34Å; M552-Y619 WeakPolarHBondContact O-CA 3.44Å; K599-Y619 HydrophobicContact CD-CE1 4.42Å; K599-Y619 WeakPolarHBondContact CD-OH 3.44Å; K599-Y619 WeakPolarHBondContact CE-OH 3.32Å; K599-Y619 PolarHBondContact NZ-OH 3.39Å; M601-Y619 HydrophobicContact CE-CE1 3.77Å; L606-Y619 HydrophobicContact CD1-CE2 4.09Å; E609-Y619 WeakPolarHBondContact OE2-CE2 3.49Å; E609-Y619 PolarHBondContact OE2-OH 3.11Å; L616-Y619 HydrophobicContact CB-CD2 4.23Å; L616-Y619 PolarHBondContact O-N 3.32Å; L616-Y619 VanDerWaalsContact O-N 3.07Å; D617-Y619 PolarHBondContact O-N 2.52Å; D617-Y619 VanDerWaalsContact O-N 3.11Å; Y619-I622 HydrophobicContact CG-CG1 4.36Å; Y619-R648 PolarHBondContact O-NH2 3.15Å
620	S	94	Very high	87.5	Confident	10 Å²	10	31.8 Å²	31.8	7%	0.07	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-31	171.2	62.3	0	0	0	0	112	F547 G551 M552 R652	F547-S620 WeakPolarHBondContact O-CB 3.46Å; F547-S620 PolarHBondContact O-OG 3.07Å; G551-S620 PolarHBondContact O-OG 3.47Å; M552-S620 PolarHBondContact O-N 3.17Å; M552-S620 PolarHBondContact O-OG 2.82Å; S620-R652 PolarHBondContact O-N 2.77Å
621	A	95.1	Very high	87.5	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	139.7	174	0	0	0	0	0	111.7	L542 V553 G554 R652	L542-A621 HydrophobicContact CD1-CB 3.89Å; V553-A621 WeakPolarHBondContact CA-O 3.43Å; V553-A621 HydrophobicContact CG2-CB 4.46Å; G554-A621 PolarHBondContact N-O 3.09Å; A621-R652 CarbonylContact C-O 3.47Å; A621-R652 VanDerWaalsContact CA-O 3.31Å; A621-R652 WeakPolarHBondContact CA-O 3.34Å; A621-R652 HydrophobicContact CB-CB 4.09Å
622	I	95.6	Very high	87.9	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	127.2	176.4	-64.8	172.5	0	0	0	108.8	G554 L606 L616 Y619 M624 L641 L651 R652 L653 L654	G554-I622 CarbonylContact O-C 3.56Å; G554-I622 WeakPolarHBondContact O-CA 3.42Å; L606-I622 HydrophobicContact CD1-CD1 4.45Å; L606-I622 HydrophobicContact CD2-CD1 4.42Å; L606-I622 HydrophobicContact CD2-CG2 3.89Å; L616-I622 HydrophobicContact CD1-CD1 3.81Å; Y619-I622 HydrophobicContact CG-CG1 4.36Å; I622-M624 HydrophobicContact CG2-CG 4.45Å; I622-M624 HydrophobicContact CG2-SD 4.21Å; I622-L641 HydrophobicContact CD1-CD2 3.92Å; I622-L641 HydrophobicContact CG2-CD1 4.46Å; I622-L651 HydrophobicContact CD1-CD1 4.12Å; I622-L651 HydrophobicContact CD1-CD2 4.35Å; I622-L651 HydrophobicContact CG1-CD1 4.18Å; I622-R652 PolarHBondContact N-O 2.99Å; I622-L653 HydrophobicContact CB-CD1 4.41Å; I622-L653 HydrophobicContact CG2-CD1 4.29Å; I622-L653 WeakPolarHBondContact O-CA 3.48Å; I622-L654 PolarHBondContact O-N 2.86Å
623	I	95.8	Very high	88.5	Confident	2 Å²	2	26.2 Å²	26.2	1%	0.01	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	113.2	173	-47.6	-173.7	0	0	0	108.6	L538 T539 L542 G554 C555 T556 D625 L654 T656	L538-I623 HydrophobicContact CB-CD1 3.83Å; T539-I623 HydrophobicContact CG2-CD1 3.75Å; L542-I623 HydrophobicContact CD1-CD1 3.95Å; L542-I623 HydrophobicContact CD1-CG1 4.2Å; G554-I623 PolarHBondContact O-N 2.98Å; C555-I623 CarbonylContact C-O 3.6Å; C555-I623 WeakPolarHBondContact CA-O 3.33Å; C555-I623 HydrophobicContact CB-CB 4.22Å; T556-I623 PolarHBondContact N-O 3.28Å; I623-D625 HydrophobicContact CG2-CB 4.44Å; I623-D625 PolarHBondContact O-N 2.98Å; I623-L654 CarbonylContact C-O 3.43Å; I623-L654 WeakPolarHBondContact CA-O 3.26Å; I623-L654 HydrophobicContact CD1-CD1 4.37Å; I623-L654 HydrophobicContact CG1-CB 4.28Å; I623-L654 HydrophobicContact CG1-CD1 4.21Å; I623-L654 HydrophobicContact CG2-CB 4.31Å; I623-T656 HydrophobicContact CG2-CG2 4.5Å
624	M	93.9	Very high	88.8	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	96.6	170.3	-64.8	-61.3	-56.5	0	0	108.6	T556 L606 I622 T634 L637 F638 L641 L653 L654 T656	T556-M624 HydrophobicContact CG2-CE 4.45Å; T556-M624 HydrophobicContact CG2-SD 3.71Å; L606-M624 HydrophobicContact CD2-SD 4.32Å; I622-M624 HydrophobicContact CG2-CG 4.45Å; I622-M624 HydrophobicContact CG2-SD 4.21Å; M624-T634 HydrophobicContact CE-CG2 3.68Å; M624-L637 HydrophobicContact CE-CB 3.97Å; M624-L637 HydrophobicContact CE-CD1 3.77Å; M624-L637 HydrophobicContact SD-CD1 4.27Å; M624-F638 HydrophobicContact CB-CE1 3.97Å; M624-F638 HydrophobicContact CE-CE1 4.19Å; M624-F638 HydrophobicContact CG-CE1 4.08Å; M624-L641 HydrophobicContact CG-CD1 3.94Å; M624-L641 HydrophobicContact SD-CD1 3.62Å; M624-L653 HydrophobicContact CG-CD1 3.93Å; M624-L654 PolarHBondContact N-O 3.38Å; M624-T656 PolarHBondContact O-N 3.44Å; M624-T656 PolarHBondContact O-OG1 3.16Å
625	D	91.2	Very high	89.2	Confident	1 Å²	1	20.1 Å²	20.1	1%	0.005	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	155.5	-173.1	-162.1	27.6	0	0	0	114.7	T535 T556 Q557 I623 A627 T656	T535-D625 VanDerWaalsContact CB-OD2 3.22Å; T535-D625 WeakPolarHBondContact CB-OD2 2.98Å; T535-D625 WeakPolarHBondContact CG2-OD2 3.14Å; T535-D625 PolarHBondContact OG1-OD2 2.81Å; T556-D625 WeakPolarHBondContact O-CB 3.41Å; T556-D625 PolarHBondContact O-N 2.56Å; Q557-D625 PolarHBondContact NE2-OD2 2.73Å; I623-D625 HydrophobicContact CG2-CB 4.44Å; I623-D625 PolarHBondContact O-N 2.98Å; D625-A627 PolarHBondContact O-N 2.96Å; D625-A627 VanDerWaalsContact O-N 3.14Å; D625-T656 WeakPolarHBondContact CA-OG1 3.44Å; D625-T656 WeakPolarHBondContact CB-OG1 3.38Å; D625-T656 VanDerWaalsContact CG-OG1 3.28Å; D625-T656 WeakPolarHBondContact OD1-CB 3.27Å; D625-T656 PolarHBondContact OD1-OG1 3.24Å
626	E	87.2	Confident	89.4	Confident	9 Å²	9	18 Å²	18	4%	0.042	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	36.9	-170.7	-57.3	-81	88.7	0	0	112.4	P558 H628 E629 T656 S785	P558-E626 HydrophobicContact CG-CB 4.19Å; E626-H628 PolarHBondContact O-N 3.12Å; E626-H628 IonicContact OE1-CE1 3.57Å; E626-H628 PolarHBondContact OE1-CE1 3.47Å; E626-H628 IonicContact OE2-CE1 2.72Å; E626-E629 WeakPolarHBondContact O-CB 3.16Å; E626-E629 PolarHBondContact O-N 2.69Å; E626-T656 PolarHBondContact N-O 3Å; E626-S785 PolarHBondContact OE2-N 3.25Å; E626-S785 VanDerWaalsContact OE2-N 3.16Å
627	A	87.3	Confident	89.4	Confident	0 Å²	0	18 Å²	18	0%	0	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-51.5	-18.6	-175.4	0	0	0	0	0	115.7	D625 E629 R630 F638 I655 T656 F665	D625-A627 PolarHBondContact O-N 2.96Å; D625-A627 VanDerWaalsContact O-N 3.14Å; A627-E629 VanDerWaalsContact C-N 3.28Å; A627-E629 PolarHBondContact O-N 2.99Å; A627-R630 VanDerWaalsContact O-CD 3.28Å; A627-R630 WeakPolarHBondContact O-CD 3.49Å; A627-F638 HydrophobicContact CB-CZ 3.83Å; A627-I655 HydrophobicContact CB-CG2 3.7Å; A627-T656 WeakPolarHBondContact CB-O 3.39Å; A627-T656 PolarHBondContact N-O 2.73Å; A627-F665 HydrophobicContact CB-CE1 4.02Å; A627-F665 HydrophobicContact CB-CZ 4.11Å; A627-F665 WeakPolarHBondContact O-CZ 3.42Å
628	H	83.7	Confident	89.6	Confident	12 Å²	12	12.8 Å²	12.8	6%	0.056	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-76.5	-8.7	176.5	58.4	-82.6	0	0	0	114.2	E626 R630 A658 T659 T784 Q826	E626-H628 PolarHBondContact O-N 3.12Å; E626-H628 IonicContact OE1-CE1 3.57Å; E626-H628 PolarHBondContact OE1-CE1 3.47Å; E626-H628 IonicContact OE2-CE1 2.72Å; H628-R630 VanDerWaalsContact C-N 3.27Å; H628-A658 PolarHBondContact CE1-N 3.12Å; H628-A658 PolarHBondContact ND1-N 3.2Å; H628-T659 HydrophobicContact CB-CG2 3.98Å; H628-T659 VanDerWaalsContact CB-OG1 3.3Å; H628-T659 WeakPolarHBondContact CB-OG1 3.24Å; H628-T784 WeakPolarHBondContact NE2-CG2 3.29Å; H628-Q826 PolarHBondContact CD2-OE1 3.43Å; H628-Q826 PolarHBondContact NE2-OE1 3.15Å; H628-Q826 VanDerWaalsContact NE2-OE1 3.17Å
629	E	78.8	Confident	89.5	Confident	62 Å²	62	10.7 Å²	10.7	29%	0.29	6%	0.056	S	C	.	.	G	3₁₀ helix	trans	-71.3	-24.4	172.5	-170.2	153.1	166.7	0	0	112.2	P558 R559 E626 A627 S631 T784	P558-E629 HydrophobicContact CB-CG 4.41Å; P558-E629 HydrophobicContact CG-CB 4.29Å; P558-E629 HydrophobicContact CG-CG 4.45Å; P558-E629 WeakPolarHBondContact CG-OE2 3.23Å; R559-E629 IonicContact CZ-OE1 3.97Å; R559-E629 IonicContact CZ-OE2 2.76Å; R559-E629 VanDerWaalsContact CZ-OE2 3.23Å; R559-E629 IonicContact NE-OE1 2.71Å; R559-E629 IonicContact NH1-OE1 2.81Å; R559-E629 PolarHBondContact NH1-OE1 2.66Å; R559-E629 IonicContact NH1-OE2 3.95Å; R559-E629 PolarHBondContact NH1-OE2 3.02Å; R559-E629 IonicContact NH2-OE1 3.55Å; R559-E629 PolarHBondContact NH2-OE1 3.11Å; R559-E629 IonicContact NH2-OE2 3.53Å; R559-E629 PolarHBondContact NH2-OE2 3.39Å; R559-E629 VanDerWaalsContact NH2-OE2 3.08Å; E626-E629 WeakPolarHBondContact O-CB 3.16Å; E626-E629 PolarHBondContact O-N 2.69Å; A627-E629 VanDerWaalsContact C-N 3.28Å; A627-E629 PolarHBondContact O-N 2.99Å; E629-S631 VanDerWaalsContact C-N 3.33Å; E629-S631 PolarHBondContact O-N 3.4Å; E629-T784 PolarHBondContact OE2-OG1 3.47Å; E629-T784 VanDerWaalsContact OE2-OG1 3.04Å
630	R	86.1	Confident	89.2	Confident	13 Å²	13	11.3 Å²	11.3	5%	0.049	6%	0.06	C	C	.	.			trans	51.3	48.1	172.4	-59.4	-61.7	-57.1	-76	-10	113.1	A627 H628 D635 P858 E859 D887	A627-R630 VanDerWaalsContact O-CD 3.28Å; A627-R630 WeakPolarHBondContact O-CD 3.49Å; H628-R630 VanDerWaalsContact C-N 3.27Å; R630-D635 IonicContact CZ-OD1 3.81Å; R630-D635 IonicContact CZ-OD2 2.74Å; R630-D635 IonicContact NE-OD1 2.96Å; R630-D635 PolarHBondContact NE-OD1 2.94Å; R630-D635 IonicContact NE-OD2 3.72Å; R630-D635 PolarHBondContact NE-OD2 3.33Å; R630-D635 IonicContact NH2-OD1 3.84Å; R630-D635 PolarHBondContact NH2-OD1 2.72Å; R630-D635 IonicContact NH2-OD2 3.96Å; R630-D635 PolarHBondContact NH2-OD2 3.49Å; R630-P858 HydrophobicContact CB-CB 4.1Å; R630-P858 HydrophobicContact CB-CG 4.32Å; R630-E859 PolarHBondContact O-N 2.95Å; R630-E859 VanDerWaalsContact O-N 3.1Å; R630-D887 IonicContact CZ-OD2 3.2Å; R630-D887 IonicContact NH1-OD2 3.13Å; R630-D887 PolarHBondContact NH1-OD2 3.46Å; R630-D887 IonicContact NH2-OD2 2.76Å; R630-D887 PolarHBondContact NH2-OD2 3.39Å
631	S	85	Confident	89	Confident	17 Å²	17	11 Å²	11	12%	0.119	6%	0.057	C	C	.	.			trans	-69.5	159	174.3	89.9	0	0	0	0	111.2	E629 N633 T634 D635 E859	E629-S631 VanDerWaalsContact C-N 3.33Å; E629-S631 PolarHBondContact O-N 3.4Å; S631-N633 VanDerWaalsContact C-N 3.26Å; S631-N633 PolarHBondContact O-N 2.7Å; S631-N633 PolarHBondContact OG-N 3.34Å; S631-T634 WeakPolarHBondContact CB-OG1 3.24Å; S631-T634 PolarHBondContact O-N 3.23Å; S631-T634 VanDerWaalsContact O-N 3.14Å; S631-T634 PolarHBondContact OG-N 3.11Å; S631-T634 PolarHBondContact OG-OG1 3.27Å; S631-D635 PolarHBondContact O-N 3.02Å; S631-D635 VanDerWaalsContact O-N 3.09Å; S631-E859 WeakPolarHBondContact CA-OE2 3.27Å
632	L	87.2	Confident	88.7	Confident	26 Å²	26	14.9 Å²	14.9	14%	0.136	7%	0.072	C	C	.	.	H	α-helix	trans	-55.2	-41.8	179.9	-176.5	65.1	0	0	0	112.1	V636 E859 I860 L865 V868	L632-V636 VanDerWaalsContact O-CG2 3.27Å; L632-V636 WeakPolarHBondContact O-CG2 3.37Å; L632-V636 PolarHBondContact O-N 3.23Å; L632-E859 HydrophobicContact CB-CB 4.42Å; L632-E859 HydrophobicContact CB-CG 4.12Å; L632-E859 PolarHBondContact N-OE2 3.04Å; L632-I860 HydrophobicContact CD1-CB 3.85Å; L632-I860 HydrophobicContact CD1-CD1 4.5Å; L632-I860 HydrophobicContact CD1-CG1 3.81Å; L632-L865 HydrophobicContact CD1-CD2 3.67Å; L632-V868 HydrophobicContact CD1-CG2 3.95Å; L632-V868 HydrophobicContact CD2-CG2 3.74Å; L632-V868 HydrophobicContact CG-CG2 3.74Å
633	N	88.1	Confident	88.3	Confident	60 Å²	60	19.3 Å²	19.3	32%	0.321	9%	0.092	S	C	.	.	H	α-helix	trans	-72.8	-37.2	179.8	-62.5	-56.6	0	0	0	112	D603 L607 S631 V636 L637	D603-N633 HydrophobicContact CB-CB 3.77Å; L607-N633 HydrophobicContact CD2-CB 4.18Å; L607-N633 WeakPolarHBondContact CD2-OD1 3.43Å; S631-N633 VanDerWaalsContact C-N 3.26Å; S631-N633 PolarHBondContact O-N 2.7Å; S631-N633 PolarHBondContact OG-N 3.34Å; N633-V636 PolarHBondContact O-N 3.04Å; N633-L637 WeakPolarHBondContact O-CB 3.36Å; N633-L637 WeakPolarHBondContact O-CG 3.44Å; N633-L637 PolarHBondContact O-N 2.93Å
634	T	89.5	Confident	88	Confident	3 Å²	3	19.6 Å²	19.6	2%	0.018	9%	0.094	C	C	.	.	H	α-helix	trans	-62.2	-45.8	178.5	-34.2	0	0	0	0	110.9	D603 M624 S631 V636 L637 F638	D603-T634 WeakPolarHBondContact OD2-CB 3.23Å; D603-T634 PolarHBondContact OD2-OG1 2.95Å; M624-T634 HydrophobicContact CE-CG2 3.68Å; S631-T634 WeakPolarHBondContact CB-OG1 3.24Å; S631-T634 PolarHBondContact O-N 3.23Å; S631-T634 VanDerWaalsContact O-N 3.14Å; S631-T634 PolarHBondContact OG-N 3.11Å; S631-T634 PolarHBondContact OG-OG1 3.27Å; T634-V636 PolarHBondContact O-N 3.38Å; T634-L637 PolarHBondContact O-N 2.91Å; T634-F638 HydrophobicContact CG2-CD2 4.49Å; T634-F638 HydrophobicContact CG2-CE1 4.15Å; T634-F638 HydrophobicContact CG2-CE2 3.7Å; T634-F638 HydrophobicContact CG2-CZ 3.49Å; T634-F638 VanDerWaalsContact CG2-CZ 3.49Å; T634-F638 WeakPolarHBondContact O-CD2 3.48Å; T634-F638 WeakPolarHBondContact O-CG 3.33Å; T634-F638 PolarHBondContact O-N 3.09Å
635	D	88.7	Confident	87.8	Confident	2 Å²	2	20 Å²	20	1%	0.011	10%	0.096	C	C	.	.	H	α-helix	trans	-67.8	-36.1	-178.4	-84.3	18.1	0	0	0	112.7	R630 S631 G639 I860	R630-D635 IonicContact CZ-OD1 3.81Å; R630-D635 IonicContact CZ-OD2 2.74Å; R630-D635 IonicContact NE-OD1 2.96Å; R630-D635 PolarHBondContact NE-OD1 2.94Å; R630-D635 IonicContact NE-OD2 3.72Å; R630-D635 PolarHBondContact NE-OD2 3.33Å; R630-D635 IonicContact NH2-OD1 3.84Å; R630-D635 PolarHBondContact NH2-OD1 2.72Å; R630-D635 IonicContact NH2-OD2 3.96Å; R630-D635 PolarHBondContact NH2-OD2 3.49Å; S631-D635 PolarHBondContact O-N 3.02Å; S631-D635 VanDerWaalsContact O-N 3.09Å; D635-G639 PolarHBondContact O-N 2.88Å; D635-I860 HydrophobicContact CB-CD1 4.33Å; D635-I860 HydrophobicContact CB-CG2 4.35Å; D635-I860 WeakPolarHBondContact OD2-CG2 3.29Å
636	V	88.3	Confident	87.6	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-66.6	-45.5	172.2	174.3	0	0	0	0	110.5	L607 L632 N633 T634 F638 G639 L640 V868 L871 L872	L607-V636 HydrophobicContact CD1-CG1 3.74Å; L607-V636 HydrophobicContact CD2-CB 4.49Å; L607-V636 HydrophobicContact CD2-CG1 4.23Å; L632-V636 VanDerWaalsContact O-CG2 3.27Å; L632-V636 WeakPolarHBondContact O-CG2 3.37Å; L632-V636 PolarHBondContact O-N 3.23Å; N633-V636 PolarHBondContact O-N 3.04Å; T634-V636 PolarHBondContact O-N 3.38Å; V636-F638 VanDerWaalsContact C-N 3.32Å; V636-F638 PolarHBondContact O-N 2.67Å; V636-G639 PolarHBondContact O-N 3.24Å; V636-L640 HydrophobicContact CG1-CD1 3.99Å; V636-L640 HydrophobicContact CG1-CG 4.48Å; V636-L640 WeakPolarHBondContact O-CG 3.01Å; V636-L640 PolarHBondContact O-N 3.48Å; V636-L640 VanDerWaalsContact O-N 3.11Å; V636-V868 HydrophobicContact CG2-CB 4.49Å; V636-V868 HydrophobicContact CG2-CG1 3.45Å; V636-V868 VanDerWaalsContact CG2-CG1 3.45Å; V636-V868 HydrophobicContact CG2-CG2 4.19Å; V636-L871 HydrophobicContact CG1-CD2 4.3Å; V636-L872 HydrophobicContact CG1-CD2 4.14Å
637	L	90.3	Very high	87.6	Confident	1 Å²	1	29 Å²	29	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-59.3	-38.9	175.7	-81.4	173.9	0	0	0	112.5	D603 L606 L607 M624 N633 T634 G639 L640 L641	D603-L637 HydrophobicContact CB-CD1 3.93Å; D603-L637 WeakPolarHBondContact O-CD1 3.45Å; L606-L637 HydrophobicContact CB-CD1 4.31Å; L606-L637 HydrophobicContact CB-CD2 4.46Å; L606-L637 HydrophobicContact CD2-CD1 4.21Å; L606-L637 HydrophobicContact CD2-CD2 4.17Å; L606-L637 HydrophobicContact CG-CD2 4.12Å; L607-L637 HydrophobicContact CB-CD2 4.05Å; L607-L637 HydrophobicContact CB-CG 4.2Å; L607-L637 HydrophobicContact CD1-CD2 3.96Å; L607-L637 HydrophobicContact CD1-CG 4.21Å; M624-L637 HydrophobicContact CE-CB 3.97Å; M624-L637 HydrophobicContact CE-CD1 3.77Å; M624-L637 HydrophobicContact SD-CD1 4.27Å; N633-L637 WeakPolarHBondContact O-CB 3.36Å; N633-L637 WeakPolarHBondContact O-CG 3.44Å; N633-L637 PolarHBondContact O-N 2.93Å; T634-L637 PolarHBondContact O-N 2.91Å; L637-G639 VanDerWaalsContact C-N 3.32Å; L637-G639 PolarHBondContact O-N 3.29Å; L637-L640 PolarHBondContact O-N 3.14Å; L637-L641 HydrophobicContact CB-CD1 4.28Å; L637-L641 VanDerWaalsContact O-CB 3.23Å; L637-L641 WeakPolarHBondContact O-CB 3.36Å; L637-L641 VanDerWaalsContact O-CG 3.25Å; L637-L641 WeakPolarHBondContact O-CG 3.41Å; L637-L641 PolarHBondContact O-N 3.5Å
638	F	90.9	Very high	87.7	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.3	-41.3	176	-67.2	-37.3	0	0	0	112.6	M624 A627 T634 V636 R642 I655 F665 F668 F669 M886	M624-F638 HydrophobicContact CB-CE1 3.97Å; M624-F638 HydrophobicContact CE-CE1 4.19Å; M624-F638 HydrophobicContact CG-CE1 4.08Å; A627-F638 HydrophobicContact CB-CZ 3.83Å; T634-F638 HydrophobicContact CG2-CD2 4.49Å; T634-F638 HydrophobicContact CG2-CE1 4.15Å; T634-F638 HydrophobicContact CG2-CE2 3.7Å; T634-F638 HydrophobicContact CG2-CZ 3.49Å; T634-F638 VanDerWaalsContact CG2-CZ 3.49Å; T634-F638 WeakPolarHBondContact O-CD2 3.48Å; T634-F638 WeakPolarHBondContact O-CG 3.33Å; T634-F638 PolarHBondContact O-N 3.09Å; V636-F638 VanDerWaalsContact C-N 3.32Å; V636-F638 PolarHBondContact O-N 2.67Å; F638-R642 VanDerWaalsContact O-CB 3.28Å; F638-R642 WeakPolarHBondContact O-CB 3.46Å; F638-R642 PolarHBondContact O-N 3.16Å; F638-R642 VanDerWaalsContact O-N 3.13Å; F638-I655 HydrophobicContact CE1-CG2 4.36Å; F638-F665 HydrophobicContact CE2-CD1 4.48Å; F638-F665 AromaticContact CE2-CE1 3.82Å; F638-F665 HydrophobicContact CE2-CE1 3.82Å; F638-F665 HydrophobicContact CZ-CD1 4.43Å; F638-F665 AromaticContact CZ-CE1 3.91Å; F638-F665 HydrophobicContact CZ-CE1 3.91Å; F638-F668 HydrophobicContact CB-CE1 3.95Å; F638-F668 HydrophobicContact CB-CZ 4.46Å; F638-F669 HydrophobicContact CB-CE2 4.41Å; F638-F669 HydrophobicContact CB-CZ 3.89Å; F638-F669 HydrophobicContact CD1-CE2 4Å; F638-F669 AromaticContact CD1-CZ 3.78Å; F638-F669 HydrophobicContact CD1-CZ 3.78Å; F638-F669 HydrophobicContact CG-CE2 4.32Å; F638-F669 HydrophobicContact CG-CZ 4.12Å; F638-M886 HydrophobicContact CB-CE 4.38Å; F638-M886 HydrophobicContact CD2-CE 3.62Å; F638-M886 HydrophobicContact CD2-SD 4.44Å; F638-M886 HydrophobicContact CE2-CE 4.07Å; F638-M886 HydrophobicContact CG-CE 4.07Å
639	G	88	Confident	87.9	Confident	3 Å²	3	35.6 Å²	35.6	3%	0.031	18%	0.177	C	C	.	.	H	α-helix	trans	-64.9	-41	176	0	0	0	0	0	112.9	D635 V636 L637 H884	D635-G639 PolarHBondContact O-N 2.88Å; V636-G639 PolarHBondContact O-N 3.24Å; L637-G639 VanDerWaalsContact C-N 3.32Å; L637-G639 PolarHBondContact O-N 3.29Å; G639-H884 WeakPolarHBondContact CA-O 3.36Å
640	L	88.1	Confident	88.5	Confident	17 Å²	17	37.1 Å²	37.1	9%	0.089	19%	0.187	C	C	.	.	H	α-helix	trans	-72.2	-49.5	178.9	-64.3	173.2	0	0	0	112.4	L607 V636 L637 R642 E643 V644 L872 L875 F883	L607-L640 HydrophobicContact CD1-CD1 3.47Å; L607-L640 VanDerWaalsContact CD1-CD1 3.47Å; V636-L640 HydrophobicContact CG1-CD1 3.99Å; V636-L640 HydrophobicContact CG1-CG 4.48Å; V636-L640 WeakPolarHBondContact O-CG 3.01Å; V636-L640 PolarHBondContact O-N 3.48Å; V636-L640 VanDerWaalsContact O-N 3.11Å; L637-L640 PolarHBondContact O-N 3.14Å; L640-R642 PolarHBondContact O-N 3.17Å; L640-E643 WeakPolarHBondContact O-CA 3.24Å; L640-E643 WeakPolarHBondContact O-CB 3Å; L640-E643 PolarHBondContact O-N 3.35Å; L640-V644 PolarHBondContact O-N 3.31Å; L640-L872 HydrophobicContact CD2-CD2 4.29Å; L640-L875 HydrophobicContact CD1-CD1 3.53Å; L640-L875 HydrophobicContact CD2-CD1 3.7Å; L640-L875 HydrophobicContact CG-CD1 4.26Å; L640-F883 HydrophobicContact CD2-CE2 4.17Å; L640-F883 HydrophobicContact CD2-CZ 4.14Å; L640-F883 HydrophobicContact CG-CZ 4.3Å
641	L	90.9	Very high	88.8	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-61.9	-31.8	-179.9	-70.7	169.7	0	0	0	111.8	L616 I622 M624 L637 E643 V644 V645 L653	L616-L641 HydrophobicContact CD1-CD2 3.76Å; I622-L641 HydrophobicContact CD1-CD2 3.92Å; I622-L641 HydrophobicContact CG2-CD1 4.46Å; M624-L641 HydrophobicContact CG-CD1 3.94Å; M624-L641 HydrophobicContact SD-CD1 3.62Å; L637-L641 HydrophobicContact CB-CD1 4.28Å; L637-L641 VanDerWaalsContact O-CB 3.23Å; L637-L641 WeakPolarHBondContact O-CB 3.36Å; L637-L641 VanDerWaalsContact O-CG 3.25Å; L637-L641 WeakPolarHBondContact O-CG 3.41Å; L637-L641 PolarHBondContact O-N 3.5Å; L641-E643 VanDerWaalsContact C-N 3.28Å; L641-E643 PolarHBondContact O-N 3.27Å; L641-V644 PolarHBondContact O-N 2.86Å; L641-V645 VanDerWaalsContact O-CB 3.22Å; L641-V645 WeakPolarHBondContact O-CB 3.33Å; L641-V645 VanDerWaalsContact O-CG2 3.31Å; L641-V645 WeakPolarHBondContact O-CG2 3.06Å; L641-V645 PolarHBondContact O-N 2.82Å; L641-L653 HydrophobicContact CB-CD2 4.17Å; L641-L653 HydrophobicContact CD1-CD1 3.99Å
642	R	88.4	Confident	89.2	Confident	83 Å²	83	38.1 Å²	38.1	31%	0.313	19%	0.188	S	C	.	.	H	α-helix	trans	-59.8	-37.9	170.7	-179.9	177.1	173.3	168.3	3	112.3	F638 L640 S646 F668 F669	F638-R642 VanDerWaalsContact O-CB 3.28Å; F638-R642 WeakPolarHBondContact O-CB 3.46Å; F638-R642 PolarHBondContact O-N 3.16Å; F638-R642 VanDerWaalsContact O-N 3.13Å; L640-R642 PolarHBondContact O-N 3.17Å; R642-S646 PolarHBondContact O-N 2.98Å; R642-F668 HydrophobicContact CB-CE1 4.33Å; R642-F668 PolarHBondContact NH1-O 3.36Å; R642-F669 HydrophobicContact CB-CD1 4.22Å; R642-F669 HydrophobicContact CB-CE1 3.87Å; R642-F669 HydrophobicContact CG-CD1 4.48Å
643	E	86	Confident	89.6	Confident	92 Å²	92	36.9 Å²	36.9	43%	0.43	18%	0.182	S	C	.	.	H	α-helix	trans	-74.4	-47.1	175.3	-164	-179.4	146.4	0	0	111.2	L640 L641 V645 S646 R647	L640-E643 WeakPolarHBondContact O-CA 3.24Å; L640-E643 WeakPolarHBondContact O-CB 3Å; L640-E643 PolarHBondContact O-N 3.35Å; L641-E643 VanDerWaalsContact C-N 3.28Å; L641-E643 PolarHBondContact O-N 3.27Å; E643-V645 PolarHBondContact O-N 3.22Å; E643-S646 WeakPolarHBondContact O-CA 3.36Å; E643-S646 WeakPolarHBondContact O-CB 3.5Å; E643-S646 PolarHBondContact O-N 3.4Å; E643-S646 PolarHBondContact O-OG 3.46Å; E643-R647 PolarHBondContact O-N 3.46Å; E643-R647 IonicContact OE1-NH1 3.23Å; E643-R647 PolarHBondContact OE1-NH1 2.92Å
644	V	89.6	Confident	89.9	Confident	8 Å²	8	34.1 Å²	34.1	5%	0.048	17%	0.167	C	C	.	.	H	α-helix	trans	-57.6	-46.9	178.3	178.2	0	0	0	0	111.6	S614 L640 L641 S646 R647 R648 L651	S614-V644 WeakPolarHBondContact O-CG2 3.31Å; L640-V644 PolarHBondContact O-N 3.31Å; L641-V644 PolarHBondContact O-N 2.86Å; V644-S646 PolarHBondContact O-N 3.22Å; V644-R647 CarbonylContact O-C 3.57Å; V644-R647 WeakPolarHBondContact O-CA 3.45Å; V644-R647 PolarHBondContact O-N 2.69Å; V644-R648 PolarHBondContact O-N 2.94Å; V644-L651 HydrophobicContact CG1-CD2 3.77Å
645	V	90.4	Very high	90.1	Very high	8 Å²	8	34 Å²	34	5%	0.048	17%	0.166	C	C	.	.	H	α-helix	trans	-58.5	-34	175.8	157	0	0	0	0	112.3	Q522 I523 L641 E643 R647 L651 L653	Q522-V645 HydrophobicContact CG-CG1 4.26Å; Q522-V645 PolarHBondContact NE2-O 3.39Å; I523-V645 HydrophobicContact CD1-CG1 3.69Å; I523-V645 HydrophobicContact CG1-CG1 3.87Å; L641-V645 VanDerWaalsContact O-CB 3.22Å; L641-V645 WeakPolarHBondContact O-CB 3.33Å; L641-V645 VanDerWaalsContact O-CG2 3.31Å; L641-V645 WeakPolarHBondContact O-CG2 3.06Å; L641-V645 PolarHBondContact O-N 2.82Å; E643-V645 PolarHBondContact O-N 3.22Å; V645-R647 VanDerWaalsContact C-N 3.27Å; V645-R647 PolarHBondContact O-N 3.39Å; V645-L651 HydrophobicContact CG2-CD2 4.4Å; V645-L653 HydrophobicContact CG2-CB 4.1Å; V645-L653 HydrophobicContact CG2-CD2 4.18Å
646	S	87.1	Confident	90.2	Very high	87 Å²	87	33.9 Å²	33.9	61%	0.608	17%	0.166	S	C	*	.	H	α-helix	trans	-72.7	-17.2	175.1	80.5	0	0	0	0	114.3	R642 E643 V644	R642-S646 PolarHBondContact O-N 2.98Å; E643-S646 WeakPolarHBondContact O-CA 3.36Å; E643-S646 WeakPolarHBondContact O-CB 3.5Å; E643-S646 PolarHBondContact O-N 3.4Å; E643-S646 PolarHBondContact O-OG 3.46Å; V644-S646 PolarHBondContact O-N 3.22Å
647	R	87.3	Confident	90.1	Very high	113 Å²	113	33.9 Å²	33.9	43%	0.426	17%	0.166	S	C	.	.	H	α-helix	trans	-96.7	-37.2	174.9	-58.1	-166.3	-58.5	-122.1	5.3	112.6	S614 D615 E643 V644 V645	S614-R647 PolarHBondContact O-NH2 2.82Å; D615-R647 IonicContact OD1-CZ 2.69Å; D615-R647 IonicContact OD1-NE 3.53Å; D615-R647 PolarHBondContact OD1-NE 2.91Å; D615-R647 IonicContact OD1-NH2 3.44Å; D615-R647 PolarHBondContact OD1-NH2 3.27Å; D615-R647 IonicContact OD2-NH2 2.7Å; E643-R647 PolarHBondContact O-N 3.46Å; E643-R647 IonicContact OE1-NH1 3.23Å; E643-R647 PolarHBondContact OE1-NH1 2.92Å; V644-R647 CarbonylContact O-C 3.57Å; V644-R647 WeakPolarHBondContact O-CA 3.45Å; V644-R647 PolarHBondContact O-N 2.69Å; V645-R647 VanDerWaalsContact C-N 3.27Å; V645-R647 PolarHBondContact O-N 3.39Å
648	R	89.8	Confident	89.4	Confident	28 Å²	28	34.7 Å²	34.7	11%	0.106	17%	0.172	C	C	.	.			trans	-114.1	94.8	-174.3	-85.6	-169.5	65.4	-162.2	5.4	112.8	Q522 D615 L616 D617 Y619 V644 D650 L651	Q522-R648 PolarHBondContact NE2-O 3.11Å; D615-R648 WeakPolarHBondContact O-CD 3.11Å; D615-R648 PolarHBondContact O-NH1 3.5Å; L616-R648 PolarHBondContact O-NH1 3.47Å; D617-R648 IonicContact OD1-NH1 2.99Å; Y619-R648 PolarHBondContact O-NH2 3.15Å; V644-R648 PolarHBondContact O-N 2.94Å; R648-D650 VanDerWaalsContact CB-OD1 3.27Å; R648-D650 WeakPolarHBondContact CB-OD1 3.36Å; R648-D650 IonicContact CZ-OD2 2.74Å; R648-D650 IonicContact NE-OD1 3.39Å; R648-D650 PolarHBondContact NE-OD1 3.43Å; R648-D650 IonicContact NE-OD2 2.74Å; R648-D650 PolarHBondContact NE-OD2 2.92Å; R648-D650 IonicContact NH2-OD2 3.21Å; R648-D650 PolarHBondContact NH2-OD2 3.4Å; R648-D650 PolarHBondContact O-N 3.19Å; R648-L651 HydrophobicContact CB-CB 4.19Å; R648-L651 PolarHBondContact O-N 2.78Å
649	N	87.9	Confident	88.5	Confident	122 Å²	122	35.6 Å²	35.6	65%	0.652	18%	0.178	S	C	*	.	S	Bend	trans	-69.3	-16.1	179	-65.1	-8.4	0	0	0	114.5	R652	N649-R652 PolarHBondContact O-NH1 3.27Å; N649-R652 VanDerWaalsContact O-NH1 3.16Å
650	D	91	Very high	87	Confident	95 Å²	95	42.8 Å²	42.8	51%	0.508	21%	0.212	S	C	.	.	S	Bend	trans	-76.3	-39.5	177.4	59.7	-51.5	0	0	0	111.9	R648 R652	R648-D650 VanDerWaalsContact CB-OD1 3.27Å; R648-D650 WeakPolarHBondContact CB-OD1 3.36Å; R648-D650 IonicContact CZ-OD2 2.74Å; R648-D650 IonicContact NE-OD1 3.39Å; R648-D650 PolarHBondContact NE-OD1 3.43Å; R648-D650 IonicContact NE-OD2 2.74Å; R648-D650 PolarHBondContact NE-OD2 2.92Å; R648-D650 IonicContact NH2-OD2 3.21Å; R648-D650 PolarHBondContact NH2-OD2 3.4Å; R648-D650 PolarHBondContact O-N 3.19Å; D650-R652 PolarHBondContact O-N 2.95Å; D650-R652 PolarHBondContact O-NH1 2.92Å
651	L	92.8	Very high	86.2	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.005	22%	0.216	C	C	.	.			trans	-63.5	129.9	-179	-177.3	65.3	0	0	0	111.8	Q522 I622 V644 V645 R648	Q522-L651 WeakPolarHBondContact CG-O 3.26Å; Q522-L651 PolarHBondContact NE2-O 3.27Å; I622-L651 HydrophobicContact CD1-CD1 4.12Å; I622-L651 HydrophobicContact CD1-CD2 4.35Å; I622-L651 HydrophobicContact CG1-CD1 4.18Å; V644-L651 HydrophobicContact CG1-CD2 3.77Å; V645-L651 HydrophobicContact CG2-CD2 4.4Å; R648-L651 HydrophobicContact CB-CB 4.19Å; R648-L651 PolarHBondContact O-N 2.78Å
652	R	94	Very high	85.6	Confident	49 Å²	49	43.4 Å²	43.4	19%	0.185	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	134.5	171	-68.1	-60.4	-174.2	-96.5	11.1	112	I518 K519 H521 F547 S620 A621 I622 N649 D650	I518-R652 PolarHBondContact O-NE 3.41Å; I518-R652 VanDerWaalsContact O-NE 3.1Å; K519-R652 PolarHBondContact O-NH2 3.16Å; K519-R652 VanDerWaalsContact O-NH2 3.11Å; H521-R652 WeakPolarHBondContact O-CD 3.44Å; H521-R652 PolarHBondContact O-NE 3.13Å; F547-R652 HydrophobicContact CE1-CG 3.78Å; F547-R652 HydrophobicContact CZ-CG 4.49Å; S620-R652 PolarHBondContact O-N 2.77Å; A621-R652 CarbonylContact C-O 3.47Å; A621-R652 VanDerWaalsContact CA-O 3.31Å; A621-R652 WeakPolarHBondContact CA-O 3.34Å; A621-R652 HydrophobicContact CB-CB 4.09Å; I622-R652 PolarHBondContact N-O 2.99Å; N649-R652 PolarHBondContact O-NH1 3.27Å; N649-R652 VanDerWaalsContact O-NH1 3.16Å; D650-R652 PolarHBondContact O-N 2.95Å; D650-R652 PolarHBondContact O-NH1 2.92Å
653	L	94.9	Very high	85.4	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	115.7	178.6	178.7	61.6	0	0	0	110.8	Q522 I523 V524 I622 M624 L641 V645 I655 F669	Q522-L653 PolarHBondContact O-N 3.46Å; I523-L653 VanDerWaalsContact CA-O 3.29Å; I523-L653 WeakPolarHBondContact CA-O 3.28Å; I523-L653 HydrophobicContact CG1-CB 4.37Å; I523-L653 HydrophobicContact CG2-CB 4.46Å; I523-L653 HydrophobicContact CG2-CD2 4.31Å; I523-L653 HydrophobicContact CG2-CG 4.39Å; V524-L653 PolarHBondContact N-O 3.19Å; I622-L653 HydrophobicContact CB-CD1 4.41Å; I622-L653 HydrophobicContact CG2-CD1 4.29Å; I622-L653 WeakPolarHBondContact O-CA 3.48Å; M624-L653 HydrophobicContact CG-CD1 3.93Å; L641-L653 HydrophobicContact CB-CD2 4.17Å; L641-L653 HydrophobicContact CD1-CD1 3.99Å; V645-L653 HydrophobicContact CG2-CB 4.1Å; V645-L653 HydrophobicContact CG2-CD2 4.18Å; L653-I655 HydrophobicContact CG-CG1 4.29Å; L653-F669 HydrophobicContact CD2-CD1 4.28Å; L653-F669 HydrophobicContact CD2-CE1 3.78Å; L653-F669 HydrophobicContact CD2-CZ 4.15Å
654	L	94.8	Very high	85.4	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	133.4	174.8	-52.8	-173.7	0	0	0	109.7	I518 V524 I526 L542 I622 I623 M624	I518-L654 HydrophobicContact CB-CD2 4.49Å; I518-L654 HydrophobicContact CD1-CD1 3.8Å; I518-L654 HydrophobicContact CD1-CD2 4.12Å; I518-L654 HydrophobicContact CG1-CD1 4.37Å; I518-L654 HydrophobicContact CG1-CD2 3.77Å; I518-L654 HydrophobicContact CG2-CD2 4.05Å; V524-L654 HydrophobicContact CB-CD2 3.98Å; V524-L654 HydrophobicContact CG2-CD2 4.33Å; I526-L654 HydrophobicContact CD1-CB 4.25Å; I526-L654 HydrophobicContact CD1-CD1 4.14Å; I526-L654 HydrophobicContact CD1-CD2 4.44Å; L542-L654 HydrophobicContact CD1-CD1 3.91Å; L542-L654 HydrophobicContact CD2-CD1 4.37Å; L542-L654 HydrophobicContact CG-CD1 4.49Å; I622-L654 PolarHBondContact O-N 2.86Å; I623-L654 CarbonylContact C-O 3.43Å; I623-L654 WeakPolarHBondContact CA-O 3.26Å; I623-L654 HydrophobicContact CD1-CD1 4.37Å; I623-L654 HydrophobicContact CG1-CB 4.28Å; I623-L654 HydrophobicContact CG1-CD1 4.21Å; I623-L654 HydrophobicContact CG2-CB 4.31Å; M624-L654 PolarHBondContact N-O 3.38Å
655	I	93.7	Very high	85.3	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	109.3	-179.1	-57.6	161.8	0	0	0	107.7	I523 V524 V525 I526 A627 F638 L653 F665 F669	I523-I655 HydrophobicContact CG2-CD1 4.06Å; V524-I655 PolarHBondContact O-N 2.82Å; V525-I655 CarbonylContact C-O 3.55Å; V525-I655 WeakPolarHBondContact CA-O 3.49Å; V525-I655 HydrophobicContact CG2-CB 4.32Å; V525-I655 HydrophobicContact CG2-CD1 4.21Å; I526-I655 PolarHBondContact N-O 3.48Å; A627-I655 HydrophobicContact CB-CG2 3.7Å; F638-I655 HydrophobicContact CE1-CG2 4.36Å; L653-I655 HydrophobicContact CG-CG1 4.29Å; I655-F665 HydrophobicContact CG2-CD1 3.99Å; I655-F665 HydrophobicContact CG2-CE1 4.45Å; I655-F665 HydrophobicContact CG2-CG 4.39Å; I655-F669 HydrophobicContact CD1-CD2 3.27Å; I655-F669 HydrophobicContact CD1-CE2 3.18Å; I655-F669 HydrophobicContact CD1-CG 4.1Å; I655-F669 HydrophobicContact CD1-CZ 3.92Å; I655-F669 HydrophobicContact CG1-CE2 4.39Å
656	T	90.9	Very high	85.2	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	131.4	-175.8	32.4	0	0	0	0	112.5	I526 K534 L538 I623 M624 D625 E626 A627	I526-T656 HydrophobicContact CB-CG2 3.69Å; I526-T656 HydrophobicContact CD1-CG2 4.2Å; I526-T656 HydrophobicContact CG1-CG2 4.5Å; I526-T656 HydrophobicContact CG2-CG2 3.97Å; I526-T656 WeakPolarHBondContact O-CA 3.38Å; K534-T656 HydrophobicContact CB-CG2 4.4Å; K534-T656 HydrophobicContact CD-CG2 4.18Å; L538-T656 HydrophobicContact CD1-CG2 3.34Å; I623-T656 HydrophobicContact CG2-CG2 4.5Å; M624-T656 PolarHBondContact O-N 3.44Å; M624-T656 PolarHBondContact O-OG1 3.16Å; D625-T656 WeakPolarHBondContact CA-OG1 3.44Å; D625-T656 WeakPolarHBondContact CB-OG1 3.38Å; D625-T656 VanDerWaalsContact CG-OG1 3.28Å; D625-T656 WeakPolarHBondContact OD1-CB 3.27Å; D625-T656 PolarHBondContact OD1-OG1 3.24Å; E626-T656 PolarHBondContact N-O 3Å; A627-T656 WeakPolarHBondContact CB-O 3.39Å; A627-T656 PolarHBondContact N-O 2.73Å
657	S	85.1	Confident	85.2	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	148.9	180	-177.7	0	0	0	0	112.3	I526 G528 T659	I526-S657 PolarHBondContact O-N 3.34Å; G528-S657 PolarHBondContact N-O 3.17Å; S657-T659 PolarHBondContact OG-N 2.72Å; S657-T659 VanDerWaalsContact OG-N 3.07Å; S657-T659 PolarHBondContact OG-O 2.94Å; S657-T659 PolarHBondContact OG-OG1 3.43Å
658	A	77	Confident	85.3	Confident	17 Å²	17	42.4 Å²	42.4	14%	0.14	21%	0.206	C	C	.	.	S	Bend	trans	-95.5	-7	170.2	0	0	0	0	0	113.3	G528 T530 H628	G528-A658 WeakPolarHBondContact O-CA 3.45Å; T530-A658 HydrophobicContact CG2-CB 3.67Å; H628-A658 PolarHBondContact CE1-N 3.12Å; H628-A658 PolarHBondContact ND1-N 3.2Å
659	T	70.1	Confident	85.2	Confident	19 Å²	19	41.9 Å²	41.9	12%	0.117	20%	0.204	C	C	.	.	S	Bend	trans	-115.3	162.6	-173	67.1	0	0	0	0	112.4	H628 S657 D661 A822 Q826	H628-T659 HydrophobicContact CB-CG2 3.98Å; H628-T659 VanDerWaalsContact CB-OG1 3.3Å; H628-T659 WeakPolarHBondContact CB-OG1 3.24Å; S657-T659 PolarHBondContact OG-N 2.72Å; S657-T659 VanDerWaalsContact OG-N 3.07Å; S657-T659 PolarHBondContact OG-O 2.94Å; S657-T659 PolarHBondContact OG-OG1 3.43Å; T659-D661 VanDerWaalsContact C-N 3.31Å; T659-D661 PolarHBondContact O-N 2.92Å; T659-A822 HydrophobicContact CG2-CB 4.21Å; T659-Q826 HydrophobicContact CG2-CG 4.16Å; T659-Q826 VanDerWaalsContact CG2-NE2 3.31Å
660	M	58.4	Low	85.1	Confident	154 Å²	154	38.9 Å²	38.9	76%	0.759	20%	0.201	S	C	*	.	S	Bend	trans	-77	-3.9	-172.4	-73.1	179.9	61.7	0	0	115.7	A662	M660-A662 PolarHBondContact O-N 3.49Å
661	D	70.2	Confident	84.9	Confident	32 Å²	32	40.5 Å²	40.5	17%	0.171	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	24.1	-175.5	-152.5	18.2	0	0	0	113.9	T659 E663 R664 F665 T855	T659-D661 VanDerWaalsContact C-N 3.31Å; T659-D661 PolarHBondContact O-N 2.92Å; D661-E663 PolarHBondContact O-N 2.78Å; D661-R664 PolarHBondContact O-N 2.64Å; D661-R664 VanDerWaalsContact O-N 3.16Å; D661-R664 VanDerWaalsContact OD1-CD 3.31Å; D661-R664 WeakPolarHBondContact OD1-CD 3.43Å; D661-R664 VanDerWaalsContact OD1-CG 3.28Å; D661-R664 WeakPolarHBondContact OD1-CG 3.37Å; D661-R664 IonicContact OD1-CZ 2.81Å; D661-R664 IonicContact OD1-NE 3.89Å; D661-R664 PolarHBondContact OD1-NE 3.37Å; D661-R664 VanDerWaalsContact OD2-CD 3.31Å; D661-R664 WeakPolarHBondContact OD2-CD 3.35Å; D661-R664 IonicContact OD2-CZ 2.93Å; D661-R664 IonicContact OD2-NE 3.73Å; D661-R664 PolarHBondContact OD2-NE 3.1Å; D661-F665 VanDerWaalsContact O-CD2 3.26Å; D661-F665 WeakPolarHBondContact O-CD2 3.44Å; D661-T855 HydrophobicContact CB-CG2 4.32Å
662	A	78.8	Confident	84.7	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-58	-27	-179.1	0	0	0	0	0	113.6	V525 V527 M660 F665 A666 I674	V525-A662 HydrophobicContact CG1-CB 3.98Å; V527-A662 HydrophobicContact CG2-CB 3.34Å; M660-A662 PolarHBondContact O-N 3.49Å; A662-F665 PolarHBondContact O-N 3.29Å; A662-A666 WeakPolarHBondContact O-CB 3.37Å; A662-A666 PolarHBondContact O-N 3Å; A662-I674 HydrophobicContact CB-CD1 3.98Å; A662-I674 HydrophobicContact CB-CG1 4.41Å; A662-I674 HydrophobicContact CB-CG2 3.82Å
663	E	84.6	Confident	84.7	Confident	114 Å²	114	40.4 Å²	40.4	53%	0.533	22%	0.216	S	C	.	.	H	α-helix	trans	-66.7	-37	178.3	-69.4	170.2	-156.1	0	0	112	D661 A666 Q667 I674	D661-E663 PolarHBondContact O-N 2.78Å; E663-A666 PolarHBondContact O-N 2.87Å; E663-Q667 WeakPolarHBondContact O-CB 3.3Å; E663-Q667 WeakPolarHBondContact O-CG 3.21Å; E663-Q667 PolarHBondContact O-N 2.85Å; E663-I674 HydrophobicContact CG-CD1 4.24Å
664	R	85.2	Confident	84.5	Confident	105 Å²	105	42.8 Å²	42.8	40%	0.396	23%	0.229	S	C	.	.	H	α-helix	trans	-68.2	-41.2	174.3	-68.6	-171.6	-155.1	-161.2	0.4	112	D661 F668	D661-R664 PolarHBondContact O-N 2.64Å; D661-R664 VanDerWaalsContact O-N 3.16Å; D661-R664 VanDerWaalsContact OD1-CD 3.31Å; D661-R664 WeakPolarHBondContact OD1-CD 3.43Å; D661-R664 VanDerWaalsContact OD1-CG 3.28Å; D661-R664 WeakPolarHBondContact OD1-CG 3.37Å; D661-R664 IonicContact OD1-CZ 2.81Å; D661-R664 IonicContact OD1-NE 3.89Å; D661-R664 PolarHBondContact OD1-NE 3.37Å; D661-R664 VanDerWaalsContact OD2-CD 3.31Å; D661-R664 WeakPolarHBondContact OD2-CD 3.35Å; D661-R664 IonicContact OD2-CZ 2.93Å; D661-R664 IonicContact OD2-NE 3.73Å; D661-R664 PolarHBondContact OD2-NE 3.1Å; R664-F668 VanDerWaalsContact O-CB 3.3Å; R664-F668 WeakPolarHBondContact O-CB 3.39Å; R664-F668 PolarHBondContact O-N 3.14Å
665	F	86.6	Confident	84.4	Confident	3 Å²	3	43.6 Å²	43.6	1%	0.013	23%	0.232	C	C	.	.	H	α-helix	trans	-60.1	-47	174.1	-67.5	-75.9	0	0	0	110.6	V525 A627 F638 I655 D661 A662 F668 F669 M886	V525-F665 HydrophobicContact CG1-CB 4.22Å; V525-F665 HydrophobicContact CG2-CB 3.83Å; A627-F665 HydrophobicContact CB-CE1 4.02Å; A627-F665 HydrophobicContact CB-CZ 4.11Å; A627-F665 WeakPolarHBondContact O-CZ 3.42Å; F638-F665 HydrophobicContact CE2-CD1 4.48Å; F638-F665 AromaticContact CE2-CE1 3.82Å; F638-F665 HydrophobicContact CE2-CE1 3.82Å; F638-F665 HydrophobicContact CZ-CD1 4.43Å; F638-F665 AromaticContact CZ-CE1 3.91Å; F638-F665 HydrophobicContact CZ-CE1 3.91Å; I655-F665 HydrophobicContact CG2-CD1 3.99Å; I655-F665 HydrophobicContact CG2-CE1 4.45Å; I655-F665 HydrophobicContact CG2-CG 4.39Å; D661-F665 VanDerWaalsContact O-CD2 3.26Å; D661-F665 WeakPolarHBondContact O-CD2 3.44Å; A662-F665 PolarHBondContact O-N 3.29Å; F665-F668 PolarHBondContact O-N 3.18Å; F665-F669 WeakPolarHBondContact O-CD2 3.46Å; F665-F669 PolarHBondContact O-N 2.98Å; F665-F669 VanDerWaalsContact O-N 3.16Å; F665-M886 HydrophobicContact CD1-CE 3.55Å; F665-M886 HydrophobicContact CD1-SD 3.95Å; F665-M886 HydrophobicContact CE1-CE 3.87Å; F665-M886 HydrophobicContact CE1-SD 3.86Å; F665-M886 HydrophobicContact CG-CE 4.5Å
666	A	88.6	Confident	84.2	Confident	7 Å²	7	49.3 Å²	49.3	6%	0.058	25%	0.254	C	S	.	.	H	α-helix	trans	-59.9	-51.7	177.3	0	0	0	0	0	112.3	A662 E663 F668 F669 G670 D671 C672 I674	A662-A666 WeakPolarHBondContact O-CB 3.37Å; A662-A666 PolarHBondContact O-N 3Å; E663-A666 PolarHBondContact O-N 2.87Å; A666-F668 VanDerWaalsContact C-N 3.31Å; A666-F668 PolarHBondContact O-N 3.46Å; A666-F669 CarbonylContact O-C 3.59Å; A666-F669 PolarHBondContact O-N 3.16Å; A666-G670 PolarHBondContact O-N 3.38Å; A666-D671 WeakPolarHBondContact O-CA 3.44Å; A666-D671 PolarHBondContact O-N 3.28Å; A666-C672 WeakPolarHBondContact CB-O 3.28Å; A666-C672 PolarHBondContact O-N 2.87Å; A666-I674 HydrophobicContact CB-CD1 3.87Å; A666-I674 HydrophobicContact CB-CG1 3.88Å
667	Q	88.5	Confident	84	Confident	123 Å²	123	49.8 Å²	49.8	58%	0.575	26%	0.256	S	S	*	.	H	α-helix	trans	-58.3	-41.1	178.3	-73.4	168.4	18.4	0	0	112.3	E663 F669 G670	E663-Q667 WeakPolarHBondContact O-CB 3.3Å; E663-Q667 WeakPolarHBondContact O-CG 3.21Å; E663-Q667 PolarHBondContact O-N 2.85Å; Q667-F669 VanDerWaalsContact C-N 3.34Å; Q667-F669 PolarHBondContact O-N 2.84Å; Q667-G670 PolarHBondContact O-N 3.06Å
668	F	87.6	Confident	83.6	Confident	19 Å²	19	53.8 Å²	53.8	8%	0.083	28%	0.282	C	S	.	.	H	α-helix	trans	-64.4	-38.1	179.2	177.4	-94.9	0	0	0	112.5	F638 R642 R664 F665 A666 G670 H884 M886	F638-F668 HydrophobicContact CB-CE1 3.95Å; F638-F668 HydrophobicContact CB-CZ 4.46Å; R642-F668 HydrophobicContact CB-CE1 4.33Å; R642-F668 PolarHBondContact NH1-O 3.36Å; R664-F668 VanDerWaalsContact O-CB 3.3Å; R664-F668 WeakPolarHBondContact O-CB 3.39Å; R664-F668 PolarHBondContact O-N 3.14Å; F665-F668 PolarHBondContact O-N 3.18Å; A666-F668 VanDerWaalsContact C-N 3.31Å; A666-F668 PolarHBondContact O-N 3.46Å; F668-G670 VanDerWaalsContact C-N 3.33Å; F668-H884 HydrophobicContact CE2-CB 4.17Å; F668-H884 VanDerWaalsContact CE2-O 3.23Å; F668-H884 WeakPolarHBondContact CE2-O 3.41Å; F668-H884 HydrophobicContact CZ-CB 4.25Å; F668-H884 WeakPolarHBondContact CZ-O 3.06Å; F668-M886 HydrophobicContact CB-CE 3.99Å; F668-M886 HydrophobicContact CB-CG 4.29Å; F668-M886 HydrophobicContact CD1-CE 3.69Å; F668-M886 HydrophobicContact CD2-CB 3.89Å; F668-M886 HydrophobicContact CD2-CG 4.14Å; F668-M886 HydrophobicContact CE1-CE 4.35Å; F668-M886 HydrophobicContact CE2-CB 4.07Å; F668-M886 HydrophobicContact CG-CB 4.23Å; F668-M886 HydrophobicContact CG-CE 3.81Å; F668-M886 HydrophobicContact CG-CG 4.16Å
669	F	88.2	Confident	82.9	Confident	17 Å²	17	54.8 Å²	54.8	8%	0.075	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	12.7	178.4	-74.1	-72.6	0	0	0	114.3	I523 F638 R642 L653 I655 F665 A666 Q667 M886	I523-F669 HydrophobicContact CD1-CB 3.87Å; I523-F669 HydrophobicContact CD1-CD1 3.75Å; I523-F669 HydrophobicContact CD1-CG 4.13Å; I523-F669 HydrophobicContact CG2-CB 4.12Å; I523-F669 HydrophobicContact CG2-CG 4.23Å; F638-F669 HydrophobicContact CB-CE2 4.41Å; F638-F669 HydrophobicContact CB-CZ 3.89Å; F638-F669 HydrophobicContact CD1-CE2 4Å; F638-F669 AromaticContact CD1-CZ 3.78Å; F638-F669 HydrophobicContact CD1-CZ 3.78Å; F638-F669 HydrophobicContact CG-CE2 4.32Å; F638-F669 HydrophobicContact CG-CZ 4.12Å; R642-F669 HydrophobicContact CB-CD1 4.22Å; R642-F669 HydrophobicContact CB-CE1 3.87Å; R642-F669 HydrophobicContact CG-CD1 4.48Å; L653-F669 HydrophobicContact CD2-CD1 4.28Å; L653-F669 HydrophobicContact CD2-CE1 3.78Å; L653-F669 HydrophobicContact CD2-CZ 4.15Å; I655-F669 HydrophobicContact CD1-CD2 3.27Å; I655-F669 HydrophobicContact CD1-CE2 3.18Å; I655-F669 HydrophobicContact CD1-CG 4.1Å; I655-F669 HydrophobicContact CD1-CZ 3.92Å; I655-F669 HydrophobicContact CG1-CE2 4.39Å; F665-F669 WeakPolarHBondContact O-CD2 3.46Å; F665-F669 PolarHBondContact O-N 2.98Å; F665-F669 VanDerWaalsContact O-N 3.16Å; A666-F669 CarbonylContact O-C 3.59Å; A666-F669 PolarHBondContact O-N 3.16Å; Q667-F669 VanDerWaalsContact C-N 3.34Å; Q667-F669 PolarHBondContact O-N 2.84Å; F669-M886 HydrophobicContact CE2-CE 4.28Å
670	G	85.3	Confident	82.6	Confident	58 Å²	58	57.2 Å²	57.2	60%	0.598	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.9	44.8	174.2	0	0	0	0	0	114.3	A666 Q667 F668	A666-G670 PolarHBondContact O-N 3.38Å; Q667-G670 PolarHBondContact O-N 3.06Å; F668-G670 VanDerWaalsContact C-N 3.33Å
671	D	87.1	Confident	82.7	Confident	130 Å²	130	52.2 Å²	52.2	70%	0.695	28%	0.279	S	S	*	.	S	Bend	trans	58.7	43	-180	-59.5	-41.6	0	0	0	113.4	A666	A666-D671 WeakPolarHBondContact O-CA 3.44Å; A666-D671 PolarHBondContact O-N 3.28Å
672	C	89.6	Confident	83	Confident	15 Å²	15	53.8 Å²	53.8	10%	0.101	29%	0.285	C	S	.	.			trans	-68.4	153.4	177.2	69.8	0	0	0	0	112.5	I523 A666	I523-C672 HydrophobicContact CB-CB 4.01Å; I523-C672 HydrophobicContact CG2-CB 4.16Å; A666-C672 WeakPolarHBondContact CB-O 3.28Å; A666-C672 PolarHBondContact O-N 2.87Å
673	P	93.1	Very high	83.3	Confident	33 Å²	33	58 Å²	58	21%	0.214	31%	0.312	C	S	.	.			trans	-65	142.7	-174.2	28.7	-39.3	0	0	0	113	M517 H521 I523 V524 V525	M517-P673 HydrophobicContact CG-CG 4.4Å; M517-P673 HydrophobicContact SD-CB 3.97Å; M517-P673 HydrophobicContact SD-CG 4.29Å; H521-P673 HydrophobicContact CB-CG 3.93Å; I523-P673 WeakPolarHBondContact O-CD 3.31Å; V524-P673 HydrophobicContact CG2-CG 4.29Å; V525-P673 PolarHBondContact N-O 3.46Å
674	I	91.7	Very high	83.3	Confident	51 Å²	51	53.4 Å²	53.4	26%	0.262	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	113.1	175.6	-56	172.3	0	0	0	109	V525 V527 A662 E663 A666 R676	V525-I674 HydrophobicContact CB-CG1 4.34Å; V525-I674 CarbonylContact O-C 3.55Å; V525-I674 WeakPolarHBondContact O-CA 3.48Å; V527-I674 HydrophobicContact CG2-CG2 3.58Å; A662-I674 HydrophobicContact CB-CD1 3.98Å; A662-I674 HydrophobicContact CB-CG1 4.41Å; A662-I674 HydrophobicContact CB-CG2 3.82Å; E663-I674 HydrophobicContact CG-CD1 4.24Å; A666-I674 HydrophobicContact CB-CD1 3.87Å; A666-I674 HydrophobicContact CB-CG1 3.88Å; I674-R676 HydrophobicContact CG2-CG 4.14Å
675	F	91.6	Very high	83.6	Confident	18 Å²	18	53.6 Å²	53.6	8%	0.079	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	120	171.7	-163.4	-97	0	0	0	110.3	V510 L514 M517 V524 V525 I526 V527 I677	V510-F675 HydrophobicContact CB-CE1 3.96Å; V510-F675 HydrophobicContact CB-CZ 3.91Å; V510-F675 HydrophobicContact CG1-CZ 4.43Å; V510-F675 HydrophobicContact CG2-CE1 3.96Å; V510-F675 HydrophobicContact CG2-CZ 4.42Å; L514-F675 HydrophobicContact CB-CD1 4.45Å; L514-F675 HydrophobicContact CB-CE1 3.94Å; L514-F675 HydrophobicContact CB-CZ 3.98Å; L514-F675 HydrophobicContact CD1-CB 4.46Å; L514-F675 HydrophobicContact CD1-CD1 3.72Å; L514-F675 HydrophobicContact CD1-CE1 4.07Å; L514-F675 HydrophobicContact CD1-CG 4Å; L514-F675 HydrophobicContact CG-CE1 4.5Å; M517-F675 HydrophobicContact CE-CD2 3.81Å; M517-F675 HydrophobicContact CE-CE2 4.5Å; M517-F675 HydrophobicContact SD-CB 3.87Å; M517-F675 HydrophobicContact SD-CD2 3.69Å; M517-F675 HydrophobicContact SD-CG 4.24Å; V524-F675 HydrophobicContact CG1-CB 4.23Å; V525-F675 PolarHBondContact O-N 3.26Å; I526-F675 WeakPolarHBondContact CA-O 3.35Å; I526-F675 HydrophobicContact CG1-CB 4.5Å; V527-F675 PolarHBondContact N-O 2.91Å; F675-I677 HydrophobicContact CD1-CG1 4.15Å; F675-I677 HydrophobicContact CE1-CG1 4.19Å
676	R	89.8	Confident	83.9	Confident	121 Å²	121	57.4 Å²	57.4	46%	0.457	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	115.6	178.2	-61.5	-175.6	-175.3	-103.2	4.6	110	V527 I674 P678	V527-R676 HydrophobicContact CB-CG 4.31Å; V527-R676 WeakPolarHBondContact O-CA 3.39Å; I674-R676 HydrophobicContact CG2-CG 4.14Å; R676-P678 WeakPolarHBondContact O-CD 3.37Å
677	I	86.4	Confident	84.2	Confident	9 Å²	9	62.4 Å²	62.4	5%	0.046	34%	0.34	C	S	.	.			trans	-78.6	117.6	172.8	-58.3	167.5	0	0	0	107.6	P506 V507 V510 I526 V527 K534 F675	P506-I677 HydrophobicContact CB-CG2 4.19Å; V507-I677 HydrophobicContact CB-CD1 4.26Å; V507-I677 HydrophobicContact CG2-CD1 3.81Å; V510-I677 HydrophobicContact CG2-CG1 4.29Å; V510-I677 HydrophobicContact CG2-CG2 4.2Å; I526-I677 HydrophobicContact CG2-CD1 3.77Å; I526-I677 HydrophobicContact CG2-CG1 4.32Å; V527-I677 PolarHBondContact O-N 2.78Å; K534-I677 HydrophobicContact CD-CD1 4.24Å; K534-I677 HydrophobicContact CG-CD1 3.82Å; F675-I677 HydrophobicContact CD1-CG1 4.15Å; F675-I677 HydrophobicContact CE1-CG1 4.19Å
678	P	77.6	Confident	84.4	Confident	84 Å²	84	58.9 Å²	58.9	55%	0.545	32%	0.322	S	S	.	.			trans	-75.7	135	-178.5	30.2	-33.6	0	0	0	111.7	V510 R676	V510-P678 HydrophobicContact CG1-CG 4.45Å; R676-P678 WeakPolarHBondContact O-CD 3.37Å
679	G	62.8	Low	84.7	Confident	39 Å²	39	59.6 Å²	59.6	40%	0.402	33%	0.33	S	S	.	.			trans	95.1	151	163.8	0	0	0	0	0	116.9
680	R	62.6	Low	84.8	Confident	69 Å²	69	68.6 Å²	68.6	26%	0.26	37%	0.369	S	S	.	.			trans	-85	164.6	158.8	-57.1	-173.3	176.8	-152.1	-15.4	109.5	E529 F682	E529-R680 HydrophobicContact CB-CG 4.38Å; E529-R680 IonicContact OE1-CZ 3.78Å; E529-R680 IonicContact OE1-NE 3.33Å; E529-R680 PolarHBondContact OE1-NE 3.29Å; E529-R680 IonicContact OE1-NH2 3.78Å; E529-R680 PolarHBondContact OE1-NH2 3.07Å; E529-R680 WeakPolarHBondContact OE2-CG 3.41Å; E529-R680 IonicContact OE2-NE 3.99Å; R680-F682 VanDerWaalsContact C-N 3.3Å; R680-F682 WeakPolarHBondContact CB-O 3.43Å; R680-F682 WeakPolarHBondContact CD-O 3.42Å
681	T	61.7	Low	85.1	Confident	49 Å²	49	70.4 Å²	70.4	30%	0.301	37%	0.368	S	S	.	.	S	Bend	trans	-61.4	-41.8	161.8	-30.5	0	0	0	0	110.6
682	F	76.6	Confident	85.2	Confident	66 Å²	66	67 Å²	67	29%	0.289	35%	0.353	S	S	.	.	S	Bend	trans	-147.1	155.3	177.9	-58.8	-81.9	0	0	0	113.4	R680 G832 R833 T834 G835	R680-F682 VanDerWaalsContact C-N 3.3Å; R680-F682 WeakPolarHBondContact CB-O 3.43Å; R680-F682 WeakPolarHBondContact CD-O 3.42Å; F682-G832 PolarHBondContact N-O 3.04Å; F682-G832 VanDerWaalsContact N-O 3.1Å; F682-R833 WeakPolarHBondContact CD2-O 3.43Å; F682-T834 WeakPolarHBondContact CE2-O 3.35Å; F682-G835 WeakPolarHBondContact CB-O 2.95Å; F682-G835 VanDerWaalsContact CD2-CA 3.45Å; F682-G835 VanDerWaalsContact CD2-N 3.27Å; F682-G835 VanDerWaalsContact CG-CA 3.48Å
683	P	83.3	Confident	85.2	Confident	87 Å²	87	67.7 Å²	67.7	57%	0.565	36%	0.356	S	S	*	.			trans	-70.9	159.6	177.3	30.3	-36.1	0	0	0	113	P836 G837	P683-P836 HydrophobicContact CG-CB 4.27Å; P683-G837 PolarHBondContact O-N 2.87Å
684	V	85.8	Confident	85	Confident	19 Å²	19	71.8 Å²	71.8	12%	0.115	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	120.9	176.1	-178	0	0	0	0	111	A831 G832 G837 C839	V684-A831 HydrophobicContact CG1-CB 4.03Å; V684-A831 HydrophobicContact CG2-CB 4.19Å; V684-G832 VanDerWaalsContact CG2-N 3.34Å; V684-G837 VanDerWaalsContact CA-O 3.29Å; V684-G837 WeakPolarHBondContact CA-O 3.34Å; V684-C839 HydrophobicContact CG1-CB 4.05Å
685	D	92	Very high	85	Confident	109 Å²	109	70.7 Å²	70.7	58%	0.583	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	142.8	173.5	-62.9	-37.8	0	0	0	110.7	G837 V838 C839	D685-G837 PolarHBondContact N-O 3.32Å; D685-V838 HydrophobicContact CB-CG2 4.47Å; D685-C839 PolarHBondContact O-N 3.11Å
686	K	92.6	Very high	85.1	Confident	83 Å²	83	70 Å²	70	36%	0.361	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	107.5	-173.9	-60.2	-178.7	-169.6	177.7	0	110.7	F688 N825	K686-F688 HydrophobicContact CB-CE2 4.4Å; K686-N825 PolarHBondContact NZ-OD1 3.36Å
687	E	94	Very high	85.2	Confident	112 Å²	112	64.2 Å²	64.2	52%	0.523	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	138.3	175.1	-73.2	-66	169.9	0	0	110.3	C839 Y840 R841	E687-C839 PolarHBondContact N-O 2.64Å; E687-Y840 HydrophobicContact CB-CD1 3.78Å; E687-Y840 HydrophobicContact CB-CE1 4.19Å; E687-Y840 HydrophobicContact CG-CD1 4.26Å; E687-Y840 HydrophobicContact CG-CE1 4.15Å; E687-R841 WeakPolarHBondContact O-CB 3.35Å; E687-R841 PolarHBondContact O-N 3.12Å
688	F	94.1	Very high	85.5	Confident	49 Å²	49	65.3 Å²	65.3	22%	0.215	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	146.1	178.8	-69.4	-101.6	0	0	0	110.8	K686 K690 R841 Y843 I845 Y848	K686-F688 HydrophobicContact CB-CE2 4.4Å; F688-K690 PolarHBondContact O-N 3.06Å; F688-R841 HydrophobicContact CD1-CB 4.08Å; F688-R841 HydrophobicContact CG-CB 4.46Å; F688-R841 VanDerWaalsContact CZ-NH1 3.26Å; F688-Y843 HydrophobicContact CD1-CD2 4.41Å; F688-Y843 HydrophobicContact CD1-CE2 4.27Å; F688-Y843 HydrophobicContact CE1-CE2 4.14Å; F688-I845 HydrophobicContact CB-CD1 4.46Å; F688-I845 HydrophobicContact CB-CG1 3.75Å; F688-I845 HydrophobicContact CD1-CG1 3.83Å; F688-I845 HydrophobicContact CD2-CD1 4.24Å; F688-I845 HydrophobicContact CD2-CG1 3.75Å; F688-I845 HydrophobicContact CE1-CG1 4.25Å; F688-I845 HydrophobicContact CE2-CG1 4.18Å; F688-I845 HydrophobicContact CG-CD1 4.4Å; F688-I845 HydrophobicContact CG-CG1 3.53Å; F688-I845 HydrophobicContact CZ-CG1 4.39Å; F688-Y848 HydrophobicContact CE1-CD1 4.23Å; F688-Y848 HydrophobicContact CE1-CD2 4.36Å; F688-Y848 AromaticContact CE1-CG 3.89Å; F688-Y848 HydrophobicContact CE1-CG 3.89Å; F688-Y848 HydrophobicContact CZ-CD1 4.37Å; F688-Y848 HydrophobicContact CZ-CG 4.43Å
689	S	92.8	Very high	86.3	Confident	34 Å²	34	62.3 Å²	62.3	24%	0.238	33%	0.331	C	S	.	.			trans	-60.6	135.3	173.3	-174.9	0	0	0	0	111.4	T691 R841 Y843 T844	S689-T691 PolarHBondContact O-N 3.46Å; S689-T691 PolarHBondContact OG-N 3.43Å; S689-T691 PolarHBondContact OG-O 3.13Å; S689-R841 PolarHBondContact N-O 3.09Å; S689-Y843 PolarHBondContact N-O 3.37Å; S689-T844 WeakPolarHBondContact O-CA 3.48Å
690	K	90.8	Very high	87.8	Confident	205 Å²	205	60.4 Å²	60.4	89%	0.891	31%	0.312	S	S	*	.	S	Bend	trans	-75.6	-13.1	175.7	-62.3	179.9	-177.2	175.4	0	113	F688	F688-K690 PolarHBondContact O-N 3.06Å
691	T	91.6	Very high	89.3	Confident	97 Å²	97	57.1 Å²	57.1	60%	0.595	30%	0.3	S	S	*	.	S	Bend	trans	-141.1	149.1	-175.1	-51.6	0	0	0	0	109.8	S689 V693	S689-T691 PolarHBondContact O-N 3.46Å; S689-T691 PolarHBondContact OG-N 3.43Å; S689-T691 PolarHBondContact OG-O 3.13Å; T691-V693 PolarHBondContact O-N 3.22Å
692	T	89.8	Confident	90.8	Very high	59 Å²	59	60.3 Å²	60.3	36%	0.362	31%	0.31	S	S	.	.			trans	-64	126.6	176.8	47.4	0	0	0	0	110.5	I415 T844 Q847	I415-T692 HydrophobicContact CD1-CG2 4.41Å; T692-T844 HydrophobicContact CG2-CG2 4.08Å; T692-Q847 HydrophobicContact CG2-CG 4.46Å
693	V	89.6	Confident	91.7	Very high	29 Å²	29	58.9 Å²	58.9	18%	0.176	30%	0.304	C	S	.	.			trans	-91.5	122.4	180	174.8	0	0	0	0	109.4	T691 D695 A699 L842	T691-V693 PolarHBondContact O-N 3.22Å; V693-D695 WeakPolarHBondContact CG1-O 3.41Å; V693-A699 HydrophobicContact CG1-CB 3.6Å; V693-A699 HydrophobicContact CG2-CB 4.3Å; V693-L842 WeakPolarHBondContact CB-O 3.42Å; V693-L842 WeakPolarHBondContact CG2-O 3.25Å
694	M	88.6	Confident	92.2	Very high	118 Å²	118	54.8 Å²	54.8	58%	0.581	28%	0.277	S	S	*	.	S	Bend	trans	-90.3	-27.7	178.1	-63.7	-59.1	-60.2	0	0	113.2	I415 V419	I415-M694 HydrophobicContact CG2-SD 4.23Å; V419-M694 HydrophobicContact CG2-CE 3.8Å; V419-M694 HydrophobicContact CG2-SD 4.08Å
695	D	91.4	Very high	92.5	Very high	28 Å²	28	54.9 Å²	54.9	15%	0.15	28%	0.277	C	S	.	.			trans	-125.3	106.2	172.7	-163.2	-36.5	0	0	0	109.5	S424 A425 I426 V693 V697 D698 A699	S424-D695 WeakPolarHBondContact CB-OD1 3.3Å; S424-D695 PolarHBondContact OG-OD1 3.37Å; S424-D695 PolarHBondContact OG-OD2 3.35Å; A425-D695 PolarHBondContact N-OD2 3.37Å; I426-D695 PolarHBondContact N-OD2 3.36Å; V693-D695 WeakPolarHBondContact CG1-O 3.41Å; D695-V697 PolarHBondContact OD1-N 3.4Å; D695-V697 VanDerWaalsContact OD1-N 3.11Å; D695-D698 HydrophobicContact CB-CB 4.47Å; D695-A699 PolarHBondContact O-N 3.15Å
696	Y	92.9	Very high	92.4	Very high	3 Å²	3	55.8 Å²	55.8	1%	0.012	28%	0.278	C	S	.	.	H	α-helix	trans	-75.5	-23.5	-175.4	52.7	-96.6	0	0	0	113.2	V419 S700 M721 P722 D726 C797 Y799	V419-Y696 HydrophobicContact CG1-CD1 4.19Å; V419-Y696 HydrophobicContact CG1-CE1 4.35Å; Y696-S700 WeakPolarHBondContact O-CB 3.42Å; Y696-S700 PolarHBondContact O-N 3.1Å; Y696-S700 PolarHBondContact O-OG 3.12Å; Y696-M721 HydrophobicContact CD2-SD 4.17Å; Y696-M721 HydrophobicContact CE2-SD 4.42Å; Y696-P722 HydrophobicContact CE2-CG 3.78Å; Y696-D726 PolarHBondContact OH-OD1 2.79Å; Y696-C797 HydrophobicContact CD2-CB 4.27Å; Y696-C797 HydrophobicContact CG-CB 4.41Å; Y696-Y799 AromaticContact CD1-CD2 3.65Å; Y696-Y799 HydrophobicContact CD1-CD2 3.65Å; Y696-Y799 AromaticContact CD1-CE2 3.51Å; Y696-Y799 HydrophobicContact CD1-CE2 3.51Å; Y696-Y799 HydrophobicContact CE1-CD2 4.06Å; Y696-Y799 HydrophobicContact CE1-CE2 4.16Å; Y696-Y799 AromaticContact CG-CD2 3.9Å; Y696-Y799 HydrophobicContact CG-CD2 3.9Å; Y696-Y799 AromaticContact CG-CE2 3.99Å; Y696-Y799 HydrophobicContact CG-CE2 3.99Å
697	V	93.1	Very high	92.4	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-71.4	-50.2	178.2	173.5	0	0	0	0	109.8	V427 D695 A699 S700 V701 M721 D726 V729	V427-V697 HydrophobicContact CG2-CB 4.48Å; V427-V697 HydrophobicContact CG2-CG2 3.8Å; D695-V697 PolarHBondContact OD1-N 3.4Å; D695-V697 VanDerWaalsContact OD1-N 3.11Å; V697-A699 VanDerWaalsContact C-N 3.32Å; V697-A699 PolarHBondContact O-N 3.48Å; V697-S700 PolarHBondContact O-N 3.12Å; V697-V701 WeakPolarHBondContact O-CG2 3.43Å; V697-V701 PolarHBondContact O-N 2.85Å; V697-M721 HydrophobicContact CG2-CE 4.36Å; V697-M721 HydrophobicContact CG2-SD 4.19Å; V697-D726 HydrophobicContact CG2-CB 4.44Å; V697-V729 HydrophobicContact CG1-CG1 4.4Å
698	D	92.9	Very high	92.2	Very high	33 Å²	33	47.1 Å²	47.1	18%	0.176	24%	0.239	C	C	.	.	H	α-helix	trans	-58.5	-44.5	177.4	-171.4	38	0	0	0	112.4	I426 D695 V701 K702 R737	I426-D698 HydrophobicContact CD1-CB 3.56Å; D695-D698 HydrophobicContact CB-CB 4.47Å; D698-V701 PolarHBondContact O-N 3.46Å; D698-K702 WeakPolarHBondContact O-CB 3.45Å; D698-K702 WeakPolarHBondContact O-CG 3.11Å; D698-K702 PolarHBondContact O-N 3.16Å; D698-K702 WeakPolarHBondContact OD1-CE 3.44Å; D698-K702 IonicContact OD1-NZ 3.63Å; D698-K702 WeakPolarHBondContact OD2-CE 3.37Å; D698-K702 IonicContact OD2-NZ 2.8Å; D698-K702 PolarHBondContact OD2-NZ 3.37Å; D698-R737 IonicContact OD1-CZ 3.96Å; D698-R737 IonicContact OD1-NH1 3.23Å; D698-R737 PolarHBondContact OD1-NH1 3.03Å; D698-R737 IonicContact OD1-NH2 2.72Å; D698-R737 PolarHBondContact OD1-NH2 2.93Å
699	A	93.4	Very high	91.9	Very high	20 Å²	20	49 Å²	49	17%	0.165	25%	0.25	C	S	.	.	H	α-helix	trans	-63.8	-40.3	178.5	0	0	0	0	0	112.1	V693 D695 V697 K702 Q703 L842	V693-A699 HydrophobicContact CG1-CB 3.6Å; V693-A699 HydrophobicContact CG2-CB 4.3Å; D695-A699 PolarHBondContact O-N 3.15Å; V697-A699 VanDerWaalsContact C-N 3.32Å; V697-A699 PolarHBondContact O-N 3.48Å; A699-K702 PolarHBondContact O-N 2.79Å; A699-Q703 WeakPolarHBondContact O-CB 3.47Å; A699-Q703 PolarHBondContact O-N 3.14Å; A699-L842 HydrophobicContact CB-CD1 4.13Å
700	S	94.7	Very high	91.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-64.2	-44.6	176.7	-60.1	0	0	0	0	111.9	Y696 V697 Q703 A704 M721 L842	Y696-S700 WeakPolarHBondContact O-CB 3.42Å; Y696-S700 PolarHBondContact O-N 3.1Å; Y696-S700 PolarHBondContact O-OG 3.12Å; V697-S700 PolarHBondContact O-N 3.12Å; S700-Q703 PolarHBondContact O-N 3.39Å; S700-A704 WeakPolarHBondContact O-CB 3.32Å; S700-A704 PolarHBondContact O-N 2.9Å; S700-M721 WeakPolarHBondContact OG-CE 3.38Å; S700-L842 WeakPolarHBondContact OG-CD1 3.34Å
701	V	94.3	Very high	90.7	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.5	-43	178.3	174.8	0	0	0	0	111.3	V697 D698 Q703 A704 I705 T730 L733 I734	V697-V701 WeakPolarHBondContact O-CG2 3.43Å; V697-V701 PolarHBondContact O-N 2.85Å; D698-V701 PolarHBondContact O-N 3.46Å; V701-Q703 PolarHBondContact O-N 3.48Å; V701-A704 PolarHBondContact O-N 3.31Å; V701-I705 HydrophobicContact CG1-CD1 3.82Å; V701-I705 WeakPolarHBondContact O-CG1 3.49Å; V701-I705 PolarHBondContact O-N 2.83Å; V701-T730 HydrophobicContact CG2-CG2 3.91Å; V701-L733 HydrophobicContact CB-CD2 4.4Å; V701-L733 HydrophobicContact CG1-CD2 4.39Å; V701-L733 HydrophobicContact CG1-CG 4.17Å; V701-L733 HydrophobicContact CG2-CB 4.36Å; V701-L733 HydrophobicContact CG2-CD2 4.09Å; V701-L733 HydrophobicContact CG2-CG 4.39Å; V701-I734 HydrophobicContact CB-CG1 4.24Å; V701-I734 HydrophobicContact CG1-CG1 3.8Å; V701-I734 HydrophobicContact CG2-CD1 4.45Å; V701-I734 HydrophobicContact CG2-CG1 3.86Å
702	K	93.6	Very high	89.8	Confident	116 Å²	116	41.9 Å²	41.9	50%	0.504	24%	0.238	S	C	.	.	H	α-helix	trans	-59.6	-45.8	174.4	-76	170	174.5	170.1	0	111.8	D698 A699 I705 Q706	D698-K702 WeakPolarHBondContact O-CB 3.45Å; D698-K702 WeakPolarHBondContact O-CG 3.11Å; D698-K702 PolarHBondContact O-N 3.16Å; D698-K702 WeakPolarHBondContact OD1-CE 3.44Å; D698-K702 IonicContact OD1-NZ 3.63Å; D698-K702 WeakPolarHBondContact OD2-CE 3.37Å; D698-K702 IonicContact OD2-NZ 2.8Å; D698-K702 PolarHBondContact OD2-NZ 3.37Å; A699-K702 PolarHBondContact O-N 2.79Å; K702-I705 PolarHBondContact O-N 3.49Å; K702-Q706 WeakPolarHBondContact O-CB 3.29Å; K702-Q706 PolarHBondContact O-N 3.07Å
703	Q	94.1	Very high	88.8	Confident	35 Å²	35	44.1 Å²	44.1	16%	0.164	25%	0.252	C	S	.	.	H	α-helix	trans	-65.5	-40.1	178	-170.7	63.3	43.9	0	0	111.9	A699 S700 V701 Q706 V707 I795 Y840 L842	A699-Q703 WeakPolarHBondContact O-CB 3.47Å; A699-Q703 PolarHBondContact O-N 3.14Å; S700-Q703 PolarHBondContact O-N 3.39Å; V701-Q703 PolarHBondContact O-N 3.48Å; Q703-Q706 PolarHBondContact O-N 3.27Å; Q703-V707 HydrophobicContact CG-CG2 4.5Å; Q703-V707 VanDerWaalsContact O-CG2 3.28Å; Q703-V707 WeakPolarHBondContact O-CG2 3.34Å; Q703-V707 PolarHBondContact O-N 2.84Å; Q703-I795 HydrophobicContact CB-CD1 4.04Å; Q703-I795 HydrophobicContact CB-CG2 4.45Å; Q703-I795 HydrophobicContact CG-CD1 3.85Å; Q703-I795 HydrophobicContact CG-CG1 4.07Å; Q703-I795 HydrophobicContact CG-CG2 4.43Å; Q703-Y840 HydrophobicContact CG-CD2 4.32Å; Q703-Y840 HydrophobicContact CG-CG 4.03Å; Q703-Y840 VanDerWaalsContact NE2-CD1 3.31Å; Q703-L842 HydrophobicContact CB-CD2 4.31Å; Q703-L842 HydrophobicContact CG-CD2 4.46Å
704	A	93.5	Very high	88.3	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.008	27%	0.271	C	S	.	.	H	α-helix	trans	-61.9	-45.6	178.1	0	0	0	0	0	112	S700 V701 V707 H708 I719 I734 I795	S700-A704 WeakPolarHBondContact O-CB 3.32Å; S700-A704 PolarHBondContact O-N 2.9Å; V701-A704 PolarHBondContact O-N 3.31Å; A704-V707 PolarHBondContact O-N 3.05Å; A704-H708 WeakPolarHBondContact O-CB 3.3Å; A704-H708 PolarHBondContact O-N 3.28Å; A704-I719 HydrophobicContact CB-CD1 3.7Å; A704-I734 HydrophobicContact CB-CD1 4.3Å; A704-I795 HydrophobicContact CB-CD1 3.88Å
705	I	92.2	Very high	88.1	Confident	22 Å²	22	43.1 Å²	43.1	11%	0.113	25%	0.252	C	S	.	.	H	α-helix	trans	-65	-42	176.3	-64.4	163.9	0	0	0	110.7	V701 K702 V707 H708 L709 R737 L741	V701-I705 HydrophobicContact CG1-CD1 3.82Å; V701-I705 WeakPolarHBondContact O-CG1 3.49Å; V701-I705 PolarHBondContact O-N 2.83Å; K702-I705 PolarHBondContact O-N 3.49Å; I705-V707 VanDerWaalsContact C-N 3.34Å; I705-V707 PolarHBondContact O-N 3.45Å; I705-H708 PolarHBondContact O-N 2.99Å; I705-L709 HydrophobicContact CG2-CD1 3.73Å; I705-L709 HydrophobicContact CG2-CG 4.28Å; I705-L709 WeakPolarHBondContact O-CG 3.29Å; I705-L709 PolarHBondContact O-N 2.67Å; I705-R737 HydrophobicContact CD1-CB 3.52Å; I705-R737 HydrophobicContact CD1-CG 4.3Å; I705-L741 HydrophobicContact CG2-CD1 4.24Å
706	Q	91.7	Very high	88.1	Confident	127 Å²	127	42.7 Å²	42.7	59%	0.593	25%	0.25	S	S	*	.	H	α-helix	trans	-62.2	-39.5	176.4	-174.9	178.3	-4.8	0	0	112.5	K702 Q703 G710	K702-Q706 WeakPolarHBondContact O-CB 3.29Å; K702-Q706 PolarHBondContact O-N 3.07Å; Q703-Q706 PolarHBondContact O-N 3.27Å; Q706-G710 WeakPolarHBondContact O-CA 3.48Å; Q706-G710 PolarHBondContact O-N 2.81Å
707	V	91.7	Very high	88.1	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.006	25%	0.249	C	C	.	.	H	α-helix	trans	-70.9	-36.2	175.4	173.2	0	0	0	0	111.4	Q703 A704 I705 S711 I717 R773 Y793 Y840	Q703-V707 HydrophobicContact CG-CG2 4.5Å; Q703-V707 VanDerWaalsContact O-CG2 3.28Å; Q703-V707 WeakPolarHBondContact O-CG2 3.34Å; Q703-V707 PolarHBondContact O-N 2.84Å; A704-V707 PolarHBondContact O-N 3.05Å; I705-V707 VanDerWaalsContact C-N 3.34Å; I705-V707 PolarHBondContact O-N 3.45Å; V707-S711 VanDerWaalsContact O-CB 3.28Å; V707-S711 WeakPolarHBondContact O-CB 3.41Å; V707-S711 PolarHBondContact O-N 3.13Å; V707-S711 PolarHBondContact O-OG 3.4Å; V707-I717 HydrophobicContact CB-CD1 4.23Å; V707-I717 HydrophobicContact CG1-CD1 3.89Å; V707-I717 HydrophobicContact CG1-CG1 3.97Å; V707-R773 PolarHBondContact O-NH1 3.35Å; V707-Y793 HydrophobicContact CG1-CD1 3.74Å; V707-Y793 HydrophobicContact CG1-CD2 3.93Å; V707-Y793 HydrophobicContact CG1-CE1 4.28Å; V707-Y793 HydrophobicContact CG1-CE2 4.46Å; V707-Y793 HydrophobicContact CG1-CG 3.55Å; V707-Y840 HydrophobicContact CG2-CD2 3.92Å; V707-Y840 HydrophobicContact CG2-CE2 3.34Å
708	H	89.7	Confident	88.1	Confident	13 Å²	13	42.7 Å²	42.7	6%	0.06	25%	0.25	C	C	.	.	H	α-helix	trans	-62.4	-49.4	175.4	-168.2	51.4	0	0	0	112.7	A704 I705 P745 R773	A704-H708 WeakPolarHBondContact O-CB 3.3Å; A704-H708 PolarHBondContact O-N 3.28Å; I705-H708 PolarHBondContact O-N 2.99Å; H708-P745 PolarHBondContact NE2-O 3.47Å; H708-R773 VanDerWaalsContact CA-NH1 3.33Å
709	L	88.4	Confident	88.3	Confident	88 Å²	88	41.1 Å²	41.1	46%	0.461	24%	0.242	S	C	.	.	H	α-helix	trans	-83.4	-28.8	-176.3	-59.2	175.5	0	0	0	113.7	I705 L741	I705-L709 HydrophobicContact CG2-CD1 3.73Å; I705-L709 HydrophobicContact CG2-CG 4.28Å; I705-L709 WeakPolarHBondContact O-CG 3.29Å; I705-L709 PolarHBondContact O-N 2.67Å; L709-L741 HydrophobicContact CD1-CD1 4.12Å
710	G	83.2	Confident	88.4	Confident	66 Å²	66	40.1 Å²	40.1	68%	0.68	23%	0.234	S	C	*	.	H	α-helix	trans	-100.9	-12.1	-170.8	0	0	0	0	0	116.4	Q706	Q706-G710 WeakPolarHBondContact O-CA 3.48Å; Q706-G710 PolarHBondContact O-N 2.81Å
711	S	75.4	Confident	88.3	Confident	25 Å²	25	40.2 Å²	40.2	18%	0.175	23%	0.234	C	C	.	.	S	Bend	trans	-113.4	146.4	-176.7	-56.7	0	0	0	0	112.3	V707 T713 R773 Y793	V707-S711 VanDerWaalsContact O-CB 3.28Å; V707-S711 WeakPolarHBondContact O-CB 3.41Å; V707-S711 PolarHBondContact O-N 3.13Å; V707-S711 PolarHBondContact O-OG 3.4Å; S711-T713 PolarHBondContact O-N 3.47Å; S711-R773 PolarHBondContact O-NH2 2.68Å; S711-Y793 WeakPolarHBondContact CB-OH 3.14Å
712	P	72.7	Confident	88.2	Confident	95 Å²	95	40.5 Å²	40.5	62%	0.617	24%	0.236	S	C	*	.			trans	-48.9	137.2	177.9	-26	33.9	0	0	0	112	D714 R773	P712-D714 PolarHBondContact O-N 2.68Å; P712-R773 VanDerWaalsContact C-NH2 3.34Å; P712-R773 PolarHBondContact O-NH2 2.64Å
713	T	68	Low	87.9	Confident	106 Å²	106	35.2 Å²	35.2	65%	0.65	22%	0.215	S	C	*	.	S	Bend	trans	-48.1	-34.1	-170.1	40.9	0	0	0	0	114.2	S711 G715 R773	S711-T713 PolarHBondContact O-N 3.47Å; T713-G715 PolarHBondContact O-N 3.36Å; T713-R773 PolarHBondContact O-NE 2.92Å; T713-R773 VanDerWaalsContact O-NE 3.09Å; T713-R773 PolarHBondContact O-NH2 3.24Å
714	D	78.4	Confident	87.5	Confident	109 Å²	109	34.5 Å²	34.5	58%	0.583	21%	0.211	S	C	*	.			trans	-61.9	106.8	-179.9	-60	1.2	0	0	0	114.1	P712 R792	P712-D714 PolarHBondContact O-N 2.68Å; D714-R792 WeakPolarHBondContact O-CD 3.48Å; D714-R792 PolarHBondContact O-NH1 3.37Å
715	G	84.8	Confident	87.1	Confident	17 Å²	17	36 Å²	36	18%	0.175	22%	0.218	C	C	.	.	S	Bend	trans	123.8	134.5	164.2	0	0	0	0	0	113.5	T713 R773	T713-G715 PolarHBondContact O-N 3.36Å; G715-R773 VanDerWaalsContact O-CD 3.29Å; G715-R773 WeakPolarHBondContact O-CD 3.45Å; G715-R773 WeakPolarHBondContact O-CG 3.47Å; G715-R773 PolarHBondContact O-NE 2.84Å; G715-R773 VanDerWaalsContact O-NE 3.11Å
716	D	91	Very high	87	Confident	20 Å²	20	35.3 Å²	35.3	11%	0.107	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	156.4	-173.7	-63.5	-35.9	0	0	0	112.5	K774 G790 R792 Y793	D716-K774 WeakPolarHBondContact CA-O 3.35Å; D716-K774 HydrophobicContact CB-CB 4.17Å; D716-K774 WeakPolarHBondContact CB-O 3.46Å; D716-K774 WeakPolarHBondContact OD1-CB 3.35Å; D716-K774 PolarHBondContact OD1-N 3.49Å; D716-K774 WeakPolarHBondContact OD2-CE 3.46Å; D716-K774 IonicContact OD2-NZ 3.71Å; D716-G790 PolarHBondContact N-O 2.66Å; D716-R792 PolarHBondContact O-N 3.36Å; D716-Y793 PolarHBondContact O-N 2.82Å
717	I	93.2	Very high	87	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	131.6	177.5	-58.6	167.4	0	0	0	109.1	V707 I719 K774 C775 V776 Y793 I795	V707-I717 HydrophobicContact CB-CD1 4.23Å; V707-I717 HydrophobicContact CG1-CD1 3.89Å; V707-I717 HydrophobicContact CG1-CG1 3.97Å; I717-I719 HydrophobicContact CG2-CG1 3.92Å; I717-K774 PolarHBondContact N-O 3.41Å; I717-C775 HydrophobicContact CB-CB 4.46Å; I717-C775 CarbonylContact O-C 3.59Å; I717-C775 WeakPolarHBondContact O-CA 3.43Å; I717-V776 PolarHBondContact O-N 2.93Å; I717-Y793 CarbonylContact C-O 3.57Å; I717-Y793 WeakPolarHBondContact CA-O 3.47Å; I717-Y793 HydrophobicContact CG1-CD2 4.46Å; I717-I795 HydrophobicContact CG2-CD1 3.98Å; I717-I795 HydrophobicContact CG2-CG1 4.43Å
718	L	94	Very high	86.9	Confident	2 Å²	2	31.6 Å²	31.6	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	118.6	167.8	177.2	66.6	0	0	0	109.9	F720 V776 A778 A782 I791 Y793 V794 I795 R830	L718-F720 HydrophobicContact CD2-CE1 4.44Å; L718-F720 HydrophobicContact CD2-CE2 3.63Å; L718-F720 HydrophobicContact CD2-CZ 3.57Å; L718-F720 HydrophobicContact CG-CE2 4.06Å; L718-F720 HydrophobicContact CG-CZ 4.28Å; L718-V776 CarbonylContact C-O 3.45Å; L718-V776 WeakPolarHBondContact CA-O 3.39Å; L718-V776 HydrophobicContact CD1-CB 3.94Å; L718-V776 HydrophobicContact CD1-CG1 3.81Å; L718-A778 HydrophobicContact CD1-CB 3.67Å; L718-A782 HydrophobicContact CD1-CB 4.05Å; L718-A782 HydrophobicContact CD2-CB 4.07Å; L718-I791 HydrophobicContact CB-CD1 3.83Å; L718-I791 HydrophobicContact CB-CG1 4.28Å; L718-I791 HydrophobicContact CB-CG2 3.91Å; L718-I791 HydrophobicContact CD1-CD1 4.47Å; L718-I791 HydrophobicContact CD2-CD1 3.83Å; L718-I791 HydrophobicContact CG-CD1 4.25Å; L718-Y793 PolarHBondContact N-O 3.25Å; L718-V794 HydrophobicContact CB-CG2 4.4Å; L718-V794 CarbonylContact O-C 3.57Å; L718-V794 VanDerWaalsContact O-CA 3.31Å; L718-V794 WeakPolarHBondContact O-CA 3.39Å; L718-I795 PolarHBondContact O-N 3.11Å; L718-R830 HydrophobicContact CD2-CB 4.1Å; L718-R830 HydrophobicContact CD2-CG 4.25Å
719	I	95.4	Very high	87	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	130.2	175.9	-48.8	-174.2	0	0	0	108.7	A704 I717 M721 T730 I734 V776 V777 A778 I795	A704-I719 HydrophobicContact CB-CD1 3.7Å; I717-I719 HydrophobicContact CG2-CG1 3.92Å; I719-M721 HydrophobicContact CG2-CE 3.91Å; I719-M721 HydrophobicContact CG2-CG 4.41Å; I719-T730 HydrophobicContact CD1-CG2 4.45Å; I719-I734 HydrophobicContact CD1-CD1 3.89Å; I719-V776 PolarHBondContact N-O 3.32Å; I719-V777 HydrophobicContact CB-CG1 4.24Å; I719-V777 HydrophobicContact CB-CG2 4.47Å; I719-V777 HydrophobicContact CD1-CG2 4.23Å; I719-V777 HydrophobicContact CG2-CG1 4.48Å; I719-A778 PolarHBondContact O-N 3.5Å; I719-I795 WeakPolarHBondContact CA-O 3.21Å; I719-I795 HydrophobicContact CD1-CD1 4.42Å; I719-I795 HydrophobicContact CG1-CB 4.28Å; I719-I795 HydrophobicContact CG1-CD1 4.23Å; I719-I795 HydrophobicContact CG2-CB 4.31Å; I719-I795 HydrophobicContact CG2-CG2 4.32Å
720	F	95.6	Very high	87.3	Confident	0 Å²	0	27 Å²	27	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	130.7	170.7	-73.5	-81.2	0	0	0	111.3	L718 A778 A782 E783 V794 I795 C797 R827 R830	L718-F720 HydrophobicContact CD2-CE1 4.44Å; L718-F720 HydrophobicContact CD2-CE2 3.63Å; L718-F720 HydrophobicContact CD2-CZ 3.57Å; L718-F720 HydrophobicContact CG-CE2 4.06Å; L718-F720 HydrophobicContact CG-CZ 4.28Å; F720-A778 CarbonylContact C-O 3.54Å; F720-A778 WeakPolarHBondContact CA-O 3.31Å; F720-A782 HydrophobicContact CE1-CB 3.91Å; F720-A782 HydrophobicContact CZ-CB 4.22Å; F720-E783 HydrophobicContact CE1-CB 3.98Å; F720-E783 HydrophobicContact CZ-CB 4.46Å; F720-V794 HydrophobicContact CD2-CG1 3.97Å; F720-V794 HydrophobicContact CE2-CG1 3.83Å; F720-I795 PolarHBondContact N-O 2.67Å; F720-C797 PolarHBondContact O-SG 2.69Å; F720-R827 HydrophobicContact CD1-CG 4.17Å; F720-R827 HydrophobicContact CD2-CB 3.91Å; F720-R827 HydrophobicContact CD2-CG 3.83Å; F720-R827 HydrophobicContact CE1-CG 4Å; F720-R827 HydrophobicContact CE2-CB 3.57Å; F720-R827 HydrophobicContact CE2-CG 3.65Å; F720-R827 HydrophobicContact CG-CG 4.08Å; F720-R827 HydrophobicContact CZ-CB 4.04Å; F720-R827 HydrophobicContact CZ-CG 3.73Å; F720-R830 HydrophobicContact CZ-CG 4.32Å
721	M	94.5	Very high	87.7	Confident	1 Å²	1	24.8 Å²	24.8	1%	0.005	15%	0.148	C	C	.	.			trans	-130.9	153.8	177.3	-77.6	-61.3	168	0	0	111.5	Y696 V697 S700 I719 D726 I727 T730 V777 A778 T779	Y696-M721 HydrophobicContact CD2-SD 4.17Å; Y696-M721 HydrophobicContact CE2-SD 4.42Å; V697-M721 HydrophobicContact CG2-CE 4.36Å; V697-M721 HydrophobicContact CG2-SD 4.19Å; S700-M721 WeakPolarHBondContact OG-CE 3.38Å; I719-M721 HydrophobicContact CG2-CE 3.91Å; I719-M721 HydrophobicContact CG2-CG 4.41Å; M721-D726 HydrophobicContact CB-CB 4.21Å; M721-D726 HydrophobicContact CG-CB 4.46Å; M721-D726 HydrophobicContact SD-CB 4.23Å; M721-I727 HydrophobicContact CB-CD1 4.44Å; M721-I727 HydrophobicContact CB-CG1 3.63Å; M721-I727 HydrophobicContact CG-CG1 4.32Å; M721-T730 HydrophobicContact CE-CG2 4.12Å; M721-T730 WeakPolarHBondContact CE-OG1 3.44Å; M721-V777 HydrophobicContact CG-CG1 3.95Å; M721-A778 PolarHBondContact N-O 3.39Å; M721-T779 WeakPolarHBondContact O-CA 3.31Å
722	P	90.9	Very high	88.5	Confident	7 Å²	7	27.8 Å²	27.8	5%	0.045	16%	0.159	C	C	.	.	S	Bend	trans	-78.7	-30.7	-172.3	27.6	-30.7	0	0	0	114.6	Y696 D726 K801 I816	Y696-P722 HydrophobicContact CE2-CG 3.78Å; P722-D726 HydrophobicContact CG-CB 4.35Å; P722-K801 WeakPolarHBondContact O-CG 3.45Å; P722-K801 PolarHBondContact O-N 3.01Å; P722-I816 HydrophobicContact CB-CG1 4.47Å; P722-I816 HydrophobicContact CB-CG2 4.13Å; P722-I816 HydrophobicContact CG-CD1 4.38Å
723	G	88.1	Confident	89.4	Confident	5 Å²	5	23.8 Å²	23.8	5%	0.052	13%	0.132	C	C	.	.	S	Bend	trans	-151.3	178.7	-179.2	0	0	0	0	0	114.4	D726 I727	G723-D726 PolarHBondContact N-OD2 3.43Å; G723-I727 VanDerWaalsContact O-CG1 3.31Å; G723-I727 WeakPolarHBondContact O-CG1 3.24Å; G723-I727 PolarHBondContact O-N 3.41Å; G723-I727 VanDerWaalsContact O-N 3.17Å
724	Q	84.2	Confident	90.6	Very high	19 Å²	19	18.8 Å²	18.8	9%	0.089	10%	0.101	C	C	.	.	H	α-helix	trans	-62.3	-47	-177.3	173.4	-178.2	-21.3	0	0	113.3	Q299 N308 D726 I727 E728 Y753	Q299-Q724 VanDerWaalsContact CD-NE2 3.25Å; N308-Q724 PolarHBondContact ND2-OE1 3.25Å; N308-Q724 PolarHBondContact OD1-OE1 2.91Å; Q724-D726 VanDerWaalsContact C-N 3.29Å; Q724-D726 PolarHBondContact O-N 2.83Å; Q724-I727 WeakPolarHBondContact O-CA 3.04Å; Q724-I727 WeakPolarHBondContact O-CB 3.36Å; Q724-I727 PolarHBondContact O-N 3.5Å; Q724-E728 HydrophobicContact CG-CG 4.34Å; Q724-E728 PolarHBondContact NE2-OE1 2.7Å; Q724-E728 PolarHBondContact O-N 3.15Å; Q724-Y753 HydrophobicContact CB-CD1 4.33Å; Q724-Y753 HydrophobicContact CB-CE1 4.42Å; Q724-Y753 HydrophobicContact CG-CD1 4.11Å; Q724-Y753 HydrophobicContact CG-CE1 3.7Å; Q724-Y753 HydrophobicContact CG-CE2 4.39Å
725	E	85.3	Confident	91.2	Very high	32 Å²	32	15.8 Å²	15.8	15%	0.15	9%	0.092	C	C	.	.	H	α-helix	trans	-62.2	-40.2	-177.8	-166.3	-170.1	-148.1	0	0	111	V427 R431 I727 E728 V729	V427-E725 HydrophobicContact CG1-CB 4.38Å; V427-E725 VanDerWaalsContact CG1-CD 3.4Å; V427-E725 HydrophobicContact CG1-CG 3.77Å; V427-E725 WeakPolarHBondContact CG1-OE2 3.29Å; R431-E725 IonicContact CZ-OE1 3.99Å; R431-E725 IonicContact CZ-OE2 3.46Å; R431-E725 IonicContact NE-OE1 3.46Å; R431-E725 PolarHBondContact NE-OE1 3.49Å; R431-E725 IonicContact NE-OE2 2.71Å; R431-E725 PolarHBondContact NE-OE2 2.94Å; R431-E725 IonicContact NH2-OE1 3.52Å; R431-E725 IonicContact NH2-OE2 2.71Å; R431-E725 PolarHBondContact NH2-OE2 3.22Å; E725-I727 VanDerWaalsContact C-N 3.3Å; E725-I727 PolarHBondContact O-N 3.1Å; E725-E728 PolarHBondContact O-N 3.23Å; E725-V729 HydrophobicContact CG-CG2 4.43Å; E725-V729 WeakPolarHBondContact O-CB 3.41Å; E725-V729 VanDerWaalsContact O-CG2 3.31Å; E725-V729 WeakPolarHBondContact O-CG2 3.18Å; E725-V729 PolarHBondContact O-N 3.38Å
726	D	91	Very high	91.5	Very high	8 Å²	8	19.6 Å²	19.6	4%	0.043	11%	0.105	C	C	.	.	H	α-helix	trans	-59.4	-40.9	172.9	-50.6	-85.9	0	0	0	111.6	Y696 V697 M721 P722 G723 Q724 T730	Y696-D726 PolarHBondContact OH-OD1 2.79Å; V697-D726 HydrophobicContact CG2-CB 4.44Å; M721-D726 HydrophobicContact CB-CB 4.21Å; M721-D726 HydrophobicContact CG-CB 4.46Å; M721-D726 HydrophobicContact SD-CB 4.23Å; P722-D726 HydrophobicContact CG-CB 4.35Å; G723-D726 PolarHBondContact N-OD2 3.43Å; Q724-D726 VanDerWaalsContact C-N 3.29Å; Q724-D726 PolarHBondContact O-N 2.83Å; D726-T730 WeakPolarHBondContact O-CB 3.41Å; D726-T730 PolarHBondContact O-N 3.33Å; D726-T730 PolarHBondContact O-OG1 3.44Å
727	I	91.4	Very high	91.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-65.6	-50.3	177.2	-69.3	167.2	0	0	0	111	M721 G723 Q724 E725 T730 C731 P751 Y753 V777 T779	M721-I727 HydrophobicContact CB-CD1 4.44Å; M721-I727 HydrophobicContact CB-CG1 3.63Å; M721-I727 HydrophobicContact CG-CG1 4.32Å; G723-I727 VanDerWaalsContact O-CG1 3.31Å; G723-I727 WeakPolarHBondContact O-CG1 3.24Å; G723-I727 PolarHBondContact O-N 3.41Å; G723-I727 VanDerWaalsContact O-N 3.17Å; Q724-I727 WeakPolarHBondContact O-CA 3.04Å; Q724-I727 WeakPolarHBondContact O-CB 3.36Å; Q724-I727 PolarHBondContact O-N 3.5Å; E725-I727 VanDerWaalsContact C-N 3.3Å; E725-I727 PolarHBondContact O-N 3.1Å; I727-T730 WeakPolarHBondContact O-CB 3.15Å; I727-T730 PolarHBondContact O-N 3.07Å; I727-C731 PolarHBondContact O-N 2.87Å; I727-C731 PolarHBondContact O-SG 3.38Å; I727-P751 HydrophobicContact CG2-CB 3.52Å; I727-Y753 HydrophobicContact CB-CD1 4.49Å; I727-Y753 HydrophobicContact CD1-CD1 4.04Å; I727-Y753 HydrophobicContact CG2-CD1 4.19Å; I727-Y753 HydrophobicContact CG2-CE1 4.44Å; I727-V777 HydrophobicContact CB-CG1 4.31Å; I727-V777 HydrophobicContact CG1-CG1 4.08Å; I727-V777 HydrophobicContact CG2-CB 4.15Å; I727-V777 HydrophobicContact CG2-CG1 4.06Å; I727-T779 HydrophobicContact CD1-CG2 3.54Å
728	E	90	Very high	91.1	Very high	51 Å²	51	22.8 Å²	22.8	24%	0.238	12%	0.117	C	C	.	.	H	α-helix	trans	-60.5	-48.2	-179.8	-72.9	-176.9	-166.8	0	0	111.5	K434 Q724 E725 T730 C731 E732	K434-E728 IonicContact NZ-OE2 3.36Å; Q724-E728 HydrophobicContact CG-CG 4.34Å; Q724-E728 PolarHBondContact NE2-OE1 2.7Å; Q724-E728 PolarHBondContact O-N 3.15Å; E725-E728 PolarHBondContact O-N 3.23Å; E728-T730 VanDerWaalsContact C-N 3.32Å; E728-T730 PolarHBondContact O-N 3.27Å; E728-C731 PolarHBondContact O-N 3.02Å; E728-E732 WeakPolarHBondContact O-CG 3.49Å; E728-E732 PolarHBondContact O-N 3.12Å
729	V	91.9	Very high	90.7	Very high	5 Å²	5	27.1 Å²	27.1	3%	0.03	15%	0.148	C	C	.	.	H	α-helix	trans	-63.5	-37.4	177	173.6	0	0	0	0	111.4	I426 V427 F430 V697 E725 L733	I426-V729 HydrophobicContact CG2-CG1 3.95Å; V427-V729 HydrophobicContact CG2-CB 4.26Å; V427-V729 HydrophobicContact CG2-CG1 4.19Å; F430-V729 HydrophobicContact CB-CG1 4.09Å; F430-V729 HydrophobicContact CB-CG2 3.79Å; F430-V729 HydrophobicContact CD1-CG1 4.21Å; F430-V729 HydrophobicContact CD1-CG2 4.37Å; F430-V729 HydrophobicContact CD2-CG1 3.89Å; F430-V729 HydrophobicContact CE2-CG1 4.39Å; F430-V729 HydrophobicContact CG-CG1 3.8Å; F430-V729 HydrophobicContact CG-CG2 4.17Å; V697-V729 HydrophobicContact CG1-CG1 4.4Å; E725-V729 HydrophobicContact CG-CG2 4.43Å; E725-V729 WeakPolarHBondContact O-CB 3.41Å; E725-V729 VanDerWaalsContact O-CG2 3.31Å; E725-V729 WeakPolarHBondContact O-CG2 3.18Å; E725-V729 PolarHBondContact O-N 3.38Å; V729-L733 WeakPolarHBondContact O-CB 3.36Å; V729-L733 PolarHBondContact O-N 3.29Å
730	T	93.7	Very high	90.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.4	-45.6	174.3	-63	0	0	0	0	111.3	V701 I719 M721 D726 I727 E728 L733 I734 V777	V701-T730 HydrophobicContact CG2-CG2 3.91Å; I719-T730 HydrophobicContact CD1-CG2 4.45Å; M721-T730 HydrophobicContact CE-CG2 4.12Å; M721-T730 WeakPolarHBondContact CE-OG1 3.44Å; D726-T730 WeakPolarHBondContact O-CB 3.41Å; D726-T730 PolarHBondContact O-N 3.33Å; D726-T730 PolarHBondContact O-OG1 3.44Å; I727-T730 WeakPolarHBondContact O-CB 3.15Å; I727-T730 PolarHBondContact O-N 3.07Å; E728-T730 VanDerWaalsContact C-N 3.32Å; E728-T730 PolarHBondContact O-N 3.27Å; T730-L733 PolarHBondContact O-N 2.84Å; T730-I734 HydrophobicContact CG2-CD1 3.77Å; T730-I734 HydrophobicContact CG2-CG1 4.45Å; T730-I734 VanDerWaalsContact O-CG1 3.23Å; T730-I734 WeakPolarHBondContact O-CG1 3.46Å; T730-I734 PolarHBondContact O-N 2.98Å; T730-V777 HydrophobicContact CG2-CG1 3.82Å; T730-V777 HydrophobicContact CG2-CG2 4.28Å
731	C	92.9	Very high	89.7	Confident	19 Å²	19	36.3 Å²	36.3	13%	0.128	20%	0.197	C	C	.	.	H	α-helix	trans	-64	-47.5	178.7	-69.4	0	0	0	0	112.1	I727 E728 L733 I734 A735 I749	I727-C731 PolarHBondContact O-N 2.87Å; I727-C731 PolarHBondContact O-SG 3.38Å; E728-C731 PolarHBondContact O-N 3.02Å; C731-L733 PolarHBondContact O-N 3.39Å; C731-I734 PolarHBondContact O-N 3.34Å; C731-A735 PolarHBondContact O-N 2.9Å; C731-A735 VanDerWaalsContact O-N 3.09Å; C731-I749 HydrophobicContact CB-CG2 3.82Å; C731-I749 VanDerWaalsContact SG-CG2 3.6Å
732	E	91.2	Very high	88.6	Confident	88 Å²	88	46 Å²	46	41%	0.411	24%	0.242	S	C	.	.	H	α-helix	trans	-58.6	-46.4	175.6	-73.1	-178.9	-166.4	0	0	111	E728 A735 E736	E728-E732 WeakPolarHBondContact O-CG 3.49Å; E728-E732 PolarHBondContact O-N 3.12Å; E732-A735 PolarHBondContact O-N 2.66Å; E732-E736 WeakPolarHBondContact O-CB 3.4Å; E732-E736 PolarHBondContact O-N 2.92Å
733	L	92.4	Very high	87.8	Confident	10 Å²	10	54.7 Å²	54.7	5%	0.052	28%	0.282	C	S	.	.	H	α-helix	trans	-72.8	-29.2	-176.6	-169.9	65.2	0	0	0	113.7	I426 F430 V701 V729 T730 C731 R737	I426-L733 HydrophobicContact CD1-CD2 4.14Å; I426-L733 HydrophobicContact CG2-CD2 4.17Å; F430-L733 HydrophobicContact CE2-CD1 4.29Å; F430-L733 HydrophobicContact CZ-CD1 4.12Å; V701-L733 HydrophobicContact CB-CD2 4.4Å; V701-L733 HydrophobicContact CG1-CD2 4.39Å; V701-L733 HydrophobicContact CG1-CG 4.17Å; V701-L733 HydrophobicContact CG2-CB 4.36Å; V701-L733 HydrophobicContact CG2-CD2 4.09Å; V701-L733 HydrophobicContact CG2-CG 4.39Å; V729-L733 WeakPolarHBondContact O-CB 3.36Å; V729-L733 PolarHBondContact O-N 3.29Å; T730-L733 PolarHBondContact O-N 2.84Å; C731-L733 PolarHBondContact O-N 3.39Å; L733-R737 HydrophobicContact CD1-CG 4.45Å; L733-R737 VanDerWaalsContact O-CB 3.31Å; L733-R737 WeakPolarHBondContact O-CB 3.37Å; L733-R737 VanDerWaalsContact O-CG 3.26Å; L733-R737 WeakPolarHBondContact O-CG 3.25Å; L733-R737 PolarHBondContact O-N 3.25Å; L733-R737 VanDerWaalsContact O-N 3.12Å
734	I	92.4	Very high	87.2	Confident	1 Å²	1	56 Å²	56	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-67.6	-47.3	169.7	-68	165.3	0	0	0	109.6	V701 A704 I719 T730 C731 R737 L738 L747 I749	V701-I734 HydrophobicContact CB-CG1 4.24Å; V701-I734 HydrophobicContact CG1-CG1 3.8Å; V701-I734 HydrophobicContact CG2-CD1 4.45Å; V701-I734 HydrophobicContact CG2-CG1 3.86Å; A704-I734 HydrophobicContact CB-CD1 4.3Å; I719-I734 HydrophobicContact CD1-CD1 3.89Å; T730-I734 HydrophobicContact CG2-CD1 3.77Å; T730-I734 HydrophobicContact CG2-CG1 4.45Å; T730-I734 VanDerWaalsContact O-CG1 3.23Å; T730-I734 WeakPolarHBondContact O-CG1 3.46Å; T730-I734 PolarHBondContact O-N 2.98Å; C731-I734 PolarHBondContact O-N 3.34Å; I734-R737 PolarHBondContact O-N 3.42Å; I734-L738 HydrophobicContact CG2-CD1 3.72Å; I734-L738 HydrophobicContact CG2-CG 4.32Å; I734-L738 WeakPolarHBondContact O-CB 3.38Å; I734-L738 VanDerWaalsContact O-CG 3.3Å; I734-L738 WeakPolarHBondContact O-CG 3.41Å; I734-L738 PolarHBondContact O-N 3.31Å; I734-L747 HydrophobicContact CG2-CD2 3.95Å; I734-I749 HydrophobicContact CB-CD1 4Å; I734-I749 HydrophobicContact CG2-CD1 3.6Å; I734-I749 HydrophobicContact CG2-CG1 4.12Å
735	A	91.1	Very high	87	Confident	47 Å²	47	57.9 Å²	57.9	39%	0.388	31%	0.306	S	S	.	.	H	α-helix	trans	-60.4	-48.3	179.6	0	0	0	0	0	111.8	C731 E732 R737 L738 S739 I749	C731-A735 PolarHBondContact O-N 2.9Å; C731-A735 VanDerWaalsContact O-N 3.09Å; E732-A735 PolarHBondContact O-N 2.66Å; A735-R737 PolarHBondContact O-N 3.4Å; A735-L738 PolarHBondContact O-N 2.99Å; A735-S739 PolarHBondContact O-N 3.17Å; A735-S739 PolarHBondContact O-OG 3.48Å; A735-I749 HydrophobicContact CB-CD1 3.89Å
736	E	90.3	Very high	87	Confident	96 Å²	96	60.8 Å²	60.8	45%	0.449	33%	0.328	S	S	.	.	H	α-helix	trans	-60.2	-44.8	177.5	-177.1	-178.4	-169.9	0	0	112.1	E732 S739 N740	E732-E736 WeakPolarHBondContact O-CB 3.4Å; E732-E736 PolarHBondContact O-N 2.92Å; E736-S739 PolarHBondContact O-N 3.11Å; E736-S739 PolarHBondContact O-OG 2.85Å; E736-N740 PolarHBondContact O-N 2.86Å; E736-N740 PolarHBondContact O-ND2 3.25Å
737	R	89	Confident	86.8	Confident	65 Å²	65	61.7 Å²	61.7	25%	0.245	33%	0.332	C	S	.	.	H	α-helix	trans	-70.9	-30.4	179.9	-73.3	179.5	-178.7	178.4	0.4	113	D698 I705 L733 I734 A735 L741	D698-R737 IonicContact OD1-CZ 3.96Å; D698-R737 IonicContact OD1-NH1 3.23Å; D698-R737 PolarHBondContact OD1-NH1 3.03Å; D698-R737 IonicContact OD1-NH2 2.72Å; D698-R737 PolarHBondContact OD1-NH2 2.93Å; I705-R737 HydrophobicContact CD1-CB 3.52Å; I705-R737 HydrophobicContact CD1-CG 4.3Å; L733-R737 HydrophobicContact CD1-CG 4.45Å; L733-R737 VanDerWaalsContact O-CB 3.31Å; L733-R737 WeakPolarHBondContact O-CB 3.37Å; L733-R737 VanDerWaalsContact O-CG 3.26Å; L733-R737 WeakPolarHBondContact O-CG 3.25Å; L733-R737 PolarHBondContact O-N 3.25Å; L733-R737 VanDerWaalsContact O-N 3.12Å; I734-R737 PolarHBondContact O-N 3.42Å; A735-R737 PolarHBondContact O-N 3.4Å; R737-L741 WeakPolarHBondContact O-CG 3.4Å
738	L	87.3	Confident	86.7	Confident	22 Å²	22	63.7 Å²	63.7	12%	0.115	35%	0.346	C	S	.	.	H	α-helix	trans	-72.5	-38.9	172.8	-71.3	171.8	0	0	0	111.9	I734 A735 N740 L741 A744 L747	I734-L738 HydrophobicContact CG2-CD1 3.72Å; I734-L738 HydrophobicContact CG2-CG 4.32Å; I734-L738 WeakPolarHBondContact O-CB 3.38Å; I734-L738 VanDerWaalsContact O-CG 3.3Å; I734-L738 WeakPolarHBondContact O-CG 3.41Å; I734-L738 PolarHBondContact O-N 3.31Å; A735-L738 PolarHBondContact O-N 2.99Å; L738-N740 PolarHBondContact O-N 2.86Å; L738-L741 PolarHBondContact O-N 3.33Å; L738-L741 VanDerWaalsContact O-N 3.16Å; L738-A744 HydrophobicContact CD2-CB 4.15Å; L738-L747 HydrophobicContact CD1-CB 3.86Å; L738-L747 HydrophobicContact CD1-CD2 3.67Å; L738-L747 HydrophobicContact CD1-CG 4.41Å
739	S	86.2	Confident	86.8	Confident	94 Å²	94	63.2 Å²	63.2	66%	0.657	35%	0.345	S	S	*	.	H	α-helix	trans	-66	-20.5	177.1	59.8	0	0	0	0	113.9	A735 E736 L741	A735-S739 PolarHBondContact O-N 3.17Å; A735-S739 PolarHBondContact O-OG 3.48Å; E736-S739 PolarHBondContact O-N 3.11Å; E736-S739 PolarHBondContact O-OG 2.85Å; S739-L741 VanDerWaalsContact C-N 3.34Å
740	N	86.3	Confident	86.7	Confident	116 Å²	116	64.5 Å²	64.5	62%	0.62	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	4.6	176.7	-72.1	-45.9	0	0	0	113.8	E736 L738	E736-N740 PolarHBondContact O-N 2.86Å; E736-N740 PolarHBondContact O-ND2 3.25Å; L738-N740 PolarHBondContact O-N 2.86Å
741	L	84.5	Confident	86.6	Confident	77 Å²	77	66.5 Å²	66.5	40%	0.403	37%	0.365	S	S	.	.			trans	-116.1	114.1	-178.9	-68.9	170.1	0	0	0	110.3	I705 L709 R737 L738 S739 E743 A744	I705-L741 HydrophobicContact CG2-CD1 4.24Å; L709-L741 HydrophobicContact CD1-CD1 4.12Å; R737-L741 WeakPolarHBondContact O-CG 3.4Å; L738-L741 PolarHBondContact O-N 3.33Å; L738-L741 VanDerWaalsContact O-N 3.16Å; S739-L741 VanDerWaalsContact C-N 3.34Å; L741-E743 PolarHBondContact O-N 3.1Å; L741-A744 HydrophobicContact CB-CB 4.13Å; L741-A744 PolarHBondContact O-N 3.06Å
742	E	71.3	Confident	86.3	Confident	204 Å²	204	65.7 Å²	65.7	95%	0.953	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-4.1	-166.4	-63.8	-175.7	145.9	0	0	116
743	E	73.1	Confident	85.9	Confident	189 Å²	189	62.2 Å²	62.2	88%	0.883	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.2	23.6	178.9	-62.9	-172.3	150.7	0	0	113.7	L741	L741-E743 PolarHBondContact O-N 3.1Å
744	A	75.4	Confident	84.9	Confident	33 Å²	33	64.2 Å²	64.2	27%	0.273	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-72.7	129.8	-176.6	0	0	0	0	0	113.1	L738 L741	L738-A744 HydrophobicContact CD2-CB 4.15Å; L741-A744 HydrophobicContact CB-CB 4.13Å; L741-A744 PolarHBondContact O-N 3.06Å
745	P	81.1	Confident	83.6	Confident	59 Å²	59	64.7 Å²	64.7	38%	0.383	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-61	148.9	169.5	-21	32.4	0	0	0	111.3	H708	H708-P745 PolarHBondContact NE2-O 3.47Å
746	P	84.3	Confident	82.6	Confident	93 Å²	93	62.9 Å²	62.9	60%	0.604	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-59.6	144.1	176.6	25.4	-34.6	0	0	0	111.6	V772	P746-V772 HydrophobicContact CB-CG1 4.08Å; P746-V772 HydrophobicContact CB-CG2 4.28Å; P746-V772 HydrophobicContact CG-CG1 4.38Å; P746-V772 HydrophobicContact CG-CG2 3.98Å
747	L	87.6	Confident	81.5	Confident	27 Å²	27	58.5 Å²	58.5	14%	0.141	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	124.4	177.1	-174.6	70.6	0	0	0	109.6	I734 L738 I749 R773 C775	I734-L747 HydrophobicContact CG2-CD2 3.95Å; L738-L747 HydrophobicContact CD1-CB 3.86Å; L738-L747 HydrophobicContact CD1-CD2 3.67Å; L738-L747 HydrophobicContact CD1-CG 4.41Å; L747-I749 HydrophobicContact CD2-CG1 4.19Å; L747-I749 HydrophobicContact CG-CG1 4.31Å; L747-I749 PolarHBondContact O-N 2.56Å; L747-R773 HydrophobicContact CD1-CB 4.02Å; L747-R773 HydrophobicContact CD1-CG 4.16Å; L747-R773 WeakPolarHBondContact CD1-O 3.34Å; L747-C775 HydrophobicContact CD1-CB 3.93Å; L747-C775 HydrophobicContact CD2-CB 3.77Å; L747-C775 HydrophobicContact CG-CB 3.91Å
748	S	89.4	Confident	80.4	Confident	42 Å²	42	57.9 Å²	57.9	29%	0.294	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	105.6	175.3	-177.7	0	0	0	0	110	R773 K774 C775	S748-R773 PolarHBondContact N-O 3.08Å; S748-K774 CarbonylContact O-C 3.47Å; S748-K774 WeakPolarHBondContact O-CA 3.32Å; S748-C775 PolarHBondContact O-N 3.16Å
749	I	91.4	Very high	79.4	Confident	40 Å²	40	60.8 Å²	60.8	21%	0.205	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	120.3	-177.3	-54.1	164.1	0	0	0	109.1	C731 I734 A735 L747 C775	C731-I749 HydrophobicContact CB-CG2 3.82Å; C731-I749 VanDerWaalsContact SG-CG2 3.6Å; I734-I749 HydrophobicContact CB-CD1 4Å; I734-I749 HydrophobicContact CG2-CD1 3.6Å; I734-I749 HydrophobicContact CG2-CG1 4.12Å; A735-I749 HydrophobicContact CB-CD1 3.89Å; L747-I749 HydrophobicContact CD2-CG1 4.19Å; L747-I749 HydrophobicContact CG-CG1 4.31Å; L747-I749 PolarHBondContact O-N 2.56Å; I749-C775 WeakPolarHBondContact CA-O 3.27Å
750	L	90.6	Very high	78.8	Confident	32 Å²	32	57.5 Å²	57.5	17%	0.168	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	112.5	-174.6	-63.3	176.5	0	0	0	110.9	K774 C775 V776 V777	L750-K774 HydrophobicContact CD1-CD 4.16Å; L750-C775 PolarHBondContact N-O 3.49Å; L750-V776 CarbonylContact O-C 3.47Å; L750-V776 VanDerWaalsContact O-CA 3.31Å; L750-V776 WeakPolarHBondContact O-CA 3.27Å; L750-V777 PolarHBondContact O-N 2.72Å
751	P	90.3	Very high	78.2	Confident	43 Å²	43	53.4 Å²	53.4	28%	0.279	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	147.3	172.4	31.5	-34.2	0	0	0	110.8	I727 Y753 L756 V777	I727-P751 HydrophobicContact CG2-CB 3.52Å; P751-Y753 HydrophobicContact CB-CE1 4.32Å; P751-L756 VanDerWaalsContact O-CD2 3.23Å; P751-L756 WeakPolarHBondContact O-CD2 3.42Å; P751-V777 CarbonylContact C-O 3.24Å; P751-V777 WeakPolarHBondContact CA-O 3.5Å
752	I	87	Confident	77.8	Confident	2 Å²	2	51 Å²	51	1%	0.01	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	123.5	165	-178.1	162.5	0	0	0	113.1	I764 V776 V777 A778 T779 L786	I752-I764 HydrophobicContact CB-CG2 4.38Å; I752-I764 HydrophobicContact CD1-CD1 3.38Å; I752-I764 HydrophobicContact CD1-CG2 4.22Å; I752-V776 HydrophobicContact CG2-CG1 3.59Å; I752-V777 PolarHBondContact N-O 3.22Å; I752-A778 HydrophobicContact CG2-CB 3.42Å; I752-A778 VanDerWaalsContact CG2-CB 3.42Å; I752-A778 VanDerWaalsContact O-CA 3.31Å; I752-A778 WeakPolarHBondContact O-CA 3.4Å; I752-T779 PolarHBondContact O-N 2.91Å; I752-T779 VanDerWaalsContact O-N 3.15Å; I752-L786 HydrophobicContact CD1-CD2 3.92Å
753	Y	82.8	Confident	78	Confident	14 Å²	14	46.4 Å²	46.4	6%	0.055	27%	0.265	C	S	.	.			trans	-145.4	164.3	172.7	44.9	-108.8	0	0	0	108.4	Q299 Q724 I727 P751 Q755 L756	Q299-Y753 HydrophobicContact CG-CE2 4.43Å; Q299-Y753 PolarHBondContact NE2-OH 2.8Å; Q299-Y753 VanDerWaalsContact NE2-OH 3.1Å; Q724-Y753 HydrophobicContact CB-CD1 4.33Å; Q724-Y753 HydrophobicContact CB-CE1 4.42Å; Q724-Y753 HydrophobicContact CG-CD1 4.11Å; Q724-Y753 HydrophobicContact CG-CE1 3.7Å; Q724-Y753 HydrophobicContact CG-CE2 4.39Å; I727-Y753 HydrophobicContact CB-CD1 4.49Å; I727-Y753 HydrophobicContact CD1-CD1 4.04Å; I727-Y753 HydrophobicContact CG2-CD1 4.19Å; I727-Y753 HydrophobicContact CG2-CE1 4.44Å; P751-Y753 HydrophobicContact CB-CE1 4.32Å; Y753-Q755 HydrophobicContact CD2-CB 3.71Å; Y753-Q755 HydrophobicContact CE2-CB 3.99Å; Y753-Q755 PolarHBondContact O-N 3.11Å; Y753-L756 HydrophobicContact CD2-CB 3.87Å; Y753-L756 HydrophobicContact CE2-CB 3.9Å; Y753-L756 HydrophobicContact CE2-CD1 3.97Å; Y753-L756 VanDerWaalsContact O-CB 3.25Å; Y753-L756 WeakPolarHBondContact O-CB 3.34Å; Y753-L756 PolarHBondContact O-N 3.42Å
754	S	71.1	Confident	78.3	Confident	53 Å²	53	37.4 Å²	37.4	37%	0.371	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-36.5	-172.2	20.1	0	0	0	0	112.3	D302 L756 Q761	D302-S754 WeakPolarHBondContact OD2-CB 3.42Å; D302-S754 PolarHBondContact OD2-OG 2.87Å; S754-L756 VanDerWaalsContact C-N 3.27Å; S754-L756 PolarHBondContact O-N 2.84Å; S754-Q761 PolarHBondContact O-NE2 3.42Å
755	Q	65.4	Low	78.3	Confident	11 Å²	11	39.7 Å²	39.7	5%	0.051	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	6.5	-178.5	-59	-172.9	-28.1	0	0	115.1	Y298 Q299 D302 N308 Y753	Y298-Q755 CarbonylContact C-O 3.53Å; Y298-Q755 WeakPolarHBondContact CB-O 3.46Å; Y298-Q755 WeakPolarHBondContact O-CA 3.35Å; Y298-Q755 WeakPolarHBondContact O-CB 3.49Å; Y298-Q755 VanDerWaalsContact O-CG 3.27Å; Y298-Q755 WeakPolarHBondContact O-CG 3.4Å; Q299-Q755 HydrophobicContact CG-CB 4.34Å; Q299-Q755 VanDerWaalsContact O-CD 3.27Å; Q299-Q755 PolarHBondContact O-NE2 3.23Å; Q299-Q755 PolarHBondContact O-OE1 3.35Å; D302-Q755 HydrophobicContact CB-CG 4.39Å; D302-Q755 WeakPolarHBondContact OD2-CG 3.41Å; N308-Q755 PolarHBondContact ND2-NE2 2.7Å; N308-Q755 PolarHBondContact ND2-OE1 2.99Å; Y753-Q755 HydrophobicContact CD2-CB 3.71Å; Y753-Q755 HydrophobicContact CE2-CB 3.99Å; Y753-Q755 PolarHBondContact O-N 3.11Å
756	L	70.9	Confident	78	Confident	8 Å²	8	39.9 Å²	39.9	4%	0.042	22%	0.223	C	C	.	.	S	Bend	trans	-83.5	138.4	176.3	-166.1	74.7	0	0	0	109.2	P751 Y753 S754 L760 Q761	P751-L756 VanDerWaalsContact O-CD2 3.23Å; P751-L756 WeakPolarHBondContact O-CD2 3.42Å; Y753-L756 HydrophobicContact CD2-CB 3.87Å; Y753-L756 HydrophobicContact CE2-CB 3.9Å; Y753-L756 HydrophobicContact CE2-CD1 3.97Å; Y753-L756 VanDerWaalsContact O-CB 3.25Å; Y753-L756 WeakPolarHBondContact O-CB 3.34Å; Y753-L756 PolarHBondContact O-N 3.42Å; S754-L756 VanDerWaalsContact C-N 3.27Å; S754-L756 PolarHBondContact O-N 2.84Å; L756-L760 HydrophobicContact CD1-CB 4.19Å; L756-L760 HydrophobicContact CD1-CD1 3.83Å; L756-L760 HydrophobicContact CD2-CB 3.68Å; L756-L760 HydrophobicContact CG-CB 3.69Å; L756-L760 HydrophobicContact CG-CD1 4.21Å; L756-Q761 HydrophobicContact CB-CG 3.96Å; L756-Q761 HydrophobicContact CD2-CG 4.16Å; L756-Q761 HydrophobicContact CG-CG 4.4Å; L756-Q761 PolarHBondContact O-NE2 3.43Å
757	P	65.9	Low	77.3	Confident	4 Å²	4	40.2 Å²	40.2	3%	0.026	22%	0.215	C	C	.	.			trans	-50.5	144.6	173.1	-26.9	29.7	0	0	0	113.8	R295 Y298 D759 L760 Q761	R295-P757 HydrophobicContact CB-CG 4.1Å; R295-P757 HydrophobicContact CG-CG 3.51Å; Y298-P757 HydrophobicContact CD2-CB 3.98Å; Y298-P757 HydrophobicContact CD2-CG 3.79Å; Y298-P757 HydrophobicContact CE2-CB 3.92Å; Y298-P757 HydrophobicContact CE2-CG 4.15Å; P757-D759 WeakPolarHBondContact CB-OD1 3.4Å; P757-D759 PolarHBondContact O-N 2.59Å; P757-L760 HydrophobicContact CG-CD1 4.28Å; P757-L760 PolarHBondContact O-N 3.28Å; P757-Q761 PolarHBondContact O-N 2.82Å
758	S	66.1	Low	76.5	Confident	52 Å²	52	40.3 Å²	40.3	36%	0.364	22%	0.22	S	C	.	.	H	α-helix	trans	-60.8	-28.1	-175.2	-50.7	0	0	0	0	113.9	A762	S758-A762 WeakPolarHBondContact O-CB 3.32Å; S758-A762 PolarHBondContact O-N 3.29Å
759	D	67.1	Low	75.4	Confident	83 Å²	83	46 Å²	46	44%	0.444	24%	0.242	S	C	.	.	H	α-helix	trans	-68.8	-43.3	172.8	54.5	-73	0	0	0	112.3	P757 A762 K763	P757-D759 WeakPolarHBondContact CB-OD1 3.4Å; P757-D759 PolarHBondContact O-N 2.59Å; D759-A762 WeakPolarHBondContact O-CB 3.42Å; D759-A762 PolarHBondContact O-N 3.15Å; D759-K763 PolarHBondContact O-N 2.8Å
760	L	72.4	Confident	74.2	Confident	25 Å²	25	51.9 Å²	51.9	13%	0.131	27%	0.274	C	S	.	.	H	α-helix	trans	-71.2	-35.8	173.6	-65.2	-174.8	0	0	0	112	R295 L756 P757 A762 K763	R295-L760 HydrophobicContact CG-CD1 4.03Å; L756-L760 HydrophobicContact CD1-CB 4.19Å; L756-L760 HydrophobicContact CD1-CD1 3.83Å; L756-L760 HydrophobicContact CD2-CB 3.68Å; L756-L760 HydrophobicContact CG-CB 3.69Å; L756-L760 HydrophobicContact CG-CD1 4.21Å; P757-L760 HydrophobicContact CG-CD1 4.28Å; P757-L760 PolarHBondContact O-N 3.28Å; L760-A762 PolarHBondContact O-N 2.94Å; L760-K763 HydrophobicContact CD2-CD 4.01Å; L760-K763 WeakPolarHBondContact O-CB 3.3Å; L760-K763 PolarHBondContact O-N 3.16Å
761	Q	75.1	Confident	73.1	Confident	30 Å²	30	53.8 Å²	53.8	14%	0.14	30%	0.302	C	S	.	.	H	α-helix	trans	-60.6	-36.8	168.6	-66.4	-172	25.3	0	0	110.9	S754 L756 P757 K763 I764	S754-Q761 PolarHBondContact O-NE2 3.42Å; L756-Q761 HydrophobicContact CB-CG 3.96Å; L756-Q761 HydrophobicContact CD2-CG 4.16Å; L756-Q761 HydrophobicContact CG-CG 4.4Å; L756-Q761 PolarHBondContact O-NE2 3.43Å; P757-Q761 PolarHBondContact O-N 2.82Å; Q761-K763 VanDerWaalsContact C-N 3.33Å; Q761-K763 PolarHBondContact O-N 3.15Å; Q761-I764 VanDerWaalsContact O-CG1 3.26Å; Q761-I764 WeakPolarHBondContact O-CG1 3.21Å; Q761-I764 PolarHBondContact O-N 3.1Å
762	A	74.4	Confident	72.8	Confident	28 Å²	28	53.6 Å²	53.6	23%	0.231	30%	0.299	C	S	.	.	H	α-helix	trans	-65.5	-33.3	177.9	0	0	0	0	0	112.9	S758 D759 L760 I764 F765	S758-A762 WeakPolarHBondContact O-CB 3.32Å; S758-A762 PolarHBondContact O-N 3.29Å; D759-A762 WeakPolarHBondContact O-CB 3.42Å; D759-A762 PolarHBondContact O-N 3.15Å; L760-A762 PolarHBondContact O-N 2.94Å; A762-I764 PolarHBondContact O-N 2.87Å; A762-I764 VanDerWaalsContact O-N 3.11Å; A762-F765 PolarHBondContact O-N 3.09Å
763	K	77.1	Confident	72.8	Confident	106 Å²	106	54.2 Å²	54.2	46%	0.461	30%	0.302	S	S	.	.	H	α-helix	trans	-57.9	-24.7	178.8	-67.8	-172.3	-179.2	-172	0	114.1	D759 L760 Q761 F765 M766	D759-K763 PolarHBondContact O-N 2.8Å; L760-K763 HydrophobicContact CD2-CD 4.01Å; L760-K763 WeakPolarHBondContact O-CB 3.3Å; L760-K763 PolarHBondContact O-N 3.16Å; Q761-K763 VanDerWaalsContact C-N 3.33Å; Q761-K763 PolarHBondContact O-N 3.15Å; K763-F765 VanDerWaalsContact C-N 3.27Å; K763-F765 PolarHBondContact O-N 3.33Å; K763-M766 HydrophobicContact CG-SD 4.41Å; K763-M766 PolarHBondContact O-N 2.8Å
764	I	79.6	Confident	73.1	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.005	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-33.1	177.6	82.6	-170.5	0	0	0	112.1	I752 Q761 A762 K774 L786 V788	I752-I764 HydrophobicContact CB-CG2 4.38Å; I752-I764 HydrophobicContact CD1-CD1 3.38Å; I752-I764 HydrophobicContact CD1-CG2 4.22Å; Q761-I764 VanDerWaalsContact O-CG1 3.26Å; Q761-I764 WeakPolarHBondContact O-CG1 3.21Å; Q761-I764 PolarHBondContact O-N 3.1Å; A762-I764 PolarHBondContact O-N 2.87Å; A762-I764 VanDerWaalsContact O-N 3.11Å; I764-K774 PolarHBondContact O-NZ 3.35Å; I764-L786 HydrophobicContact CD1-CD2 3.74Å; I764-V788 HydrophobicContact CB-CG2 4.5Å; I764-V788 HydrophobicContact CD1-CG2 3.61Å; I764-V788 HydrophobicContact CG1-CG2 3.81Å; I764-V788 WeakPolarHBondContact O-CG1 3.12Å
765	F	75.4	Confident	74.1	Confident	80 Å²	80	51.3 Å²	51.3	35%	0.351	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-22.5	-176.6	-54.6	-73.5	0	0	0	111.9	A762 K763 L786 T787 V788	A762-F765 PolarHBondContact O-N 3.09Å; K763-F765 VanDerWaalsContact C-N 3.27Å; K763-F765 PolarHBondContact O-N 3.33Å; F765-L786 HydrophobicContact CE1-CD1 4.29Å; F765-L786 HydrophobicContact CE1-CG 4.13Å; F765-L786 HydrophobicContact CZ-CD1 3.75Å; F765-L786 HydrophobicContact CZ-CD2 4.36Å; F765-L786 HydrophobicContact CZ-CG 3.98Å; F765-T787 WeakPolarHBondContact CD1-O 3.5Å; F765-T787 WeakPolarHBondContact CE1-O 3.47Å; F765-V788 HydrophobicContact CD1-CG2 4.48Å; F765-V788 HydrophobicContact CE1-CG2 4.29Å
766	M	73.8	Confident	75.4	Confident	64 Å²	64	50.8 Å²	50.8	32%	0.315	28%	0.28	S	S	.	.	S	Bend	trans	-61.9	142.1	172.3	-61	-179.2	71.3	0	0	109.5	M484 K763 K774	M484-M766 HydrophobicContact CE-CE 3.84Å; M484-M766 HydrophobicContact CE-SD 4.13Å; K763-M766 HydrophobicContact CG-SD 4.41Å; K763-M766 PolarHBondContact O-N 2.8Å; M766-K774 PolarHBondContact O-NZ 3.39Å
767	K	70.5	Confident	76.5	Confident	99 Å²	99	50.4 Å²	50.4	43%	0.43	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-65.8	143.8	165.2	-78.2	176.6	160	179.5	0	108.6	V489	V489-K767 WeakPolarHBondContact O-CE 3.16Å; V489-K767 PolarHBondContact O-NZ 3.37Å
768	A	69.5	Low	77.8	Confident	30 Å²	30	50.2 Å²	50.2	25%	0.248	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-70.6	137.6	169.1	0	0	0	0	0	109.8	V772 K774	A768-V772 HydrophobicContact CB-CB 4.35Å; A768-V772 WeakPolarHBondContact CB-O 3.49Å; A768-K774 HydrophobicContact CB-CD 4.18Å; A768-K774 HydrophobicContact CB-CG 3.74Å
769	E	66.3	Low	78.9	Confident	160 Å²	160	48.3 Å²	48.3	75%	0.748	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-61	150.3	173.9	-67.2	166.2	-154	0	0	110.6	G771 V772	E769-G771 PolarHBondContact O-N 3.01Å; E769-V772 WeakPolarHBondContact O-CG2 3.45Å; E769-V772 PolarHBondContact O-N 3.18Å
770	N	66.1	Low	79.9	Confident	164 Å²	164	47.4 Å²	47.4	88%	0.877	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	57.8	19.2	173.3	-54.7	-33.2	0	0	0	116.7	V772	N770-V772 VanDerWaalsContact C-N 3.26Å; N770-V772 PolarHBondContact O-N 3.37Å
771	G	69.1	Low	80.3	Confident	73 Å²	73	47.5 Å²	47.5	75%	0.753	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	73.6	15.8	178.4	0	0	0	0	0	114.4	E769	E769-G771 PolarHBondContact O-N 3.01Å
772	V	82.9	Confident	80.8	Confident	39 Å²	39	46.3 Å²	46.3	24%	0.236	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-63.9	136	174.4	177.3	0	0	0	0	109.8	P746 A768 E769 N770	P746-V772 HydrophobicContact CB-CG1 4.08Å; P746-V772 HydrophobicContact CB-CG2 4.28Å; P746-V772 HydrophobicContact CG-CG1 4.38Å; P746-V772 HydrophobicContact CG-CG2 3.98Å; A768-V772 HydrophobicContact CB-CB 4.35Å; A768-V772 WeakPolarHBondContact CB-O 3.49Å; E769-V772 WeakPolarHBondContact O-CG2 3.45Å; E769-V772 PolarHBondContact O-N 3.18Å; N770-V772 VanDerWaalsContact C-N 3.26Å; N770-V772 PolarHBondContact O-N 3.37Å
773	R	87.5	Confident	81	Confident	14 Å²	14	45.4 Å²	45.4	5%	0.053	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	140.4	176.4	-172.1	-176.1	-74.2	178	3.1	110.6	V707 H708 S711 P712 T713 G715 L747 S748	V707-R773 PolarHBondContact O-NH1 3.35Å; H708-R773 VanDerWaalsContact CA-NH1 3.33Å; S711-R773 PolarHBondContact O-NH2 2.68Å; P712-R773 VanDerWaalsContact C-NH2 3.34Å; P712-R773 PolarHBondContact O-NH2 2.64Å; T713-R773 PolarHBondContact O-NE 2.92Å; T713-R773 VanDerWaalsContact O-NE 3.09Å; T713-R773 PolarHBondContact O-NH2 3.24Å; G715-R773 VanDerWaalsContact O-CD 3.29Å; G715-R773 WeakPolarHBondContact O-CD 3.45Å; G715-R773 WeakPolarHBondContact O-CG 3.47Å; G715-R773 PolarHBondContact O-NE 2.84Å; G715-R773 VanDerWaalsContact O-NE 3.11Å; L747-R773 HydrophobicContact CD1-CB 4.02Å; L747-R773 HydrophobicContact CD1-CG 4.16Å; L747-R773 WeakPolarHBondContact CD1-O 3.34Å; S748-R773 PolarHBondContact N-O 3.08Å
774	K	89.8	Confident	80.7	Confident	6 Å²	6	40.7 Å²	40.7	3%	0.026	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	140.8	169.3	-58.8	-177.6	-66.2	-179.1	0	111.3	D716 I717 S748 L750 I764 M766 A768	D716-K774 WeakPolarHBondContact CA-O 3.35Å; D716-K774 HydrophobicContact CB-CB 4.17Å; D716-K774 WeakPolarHBondContact CB-O 3.46Å; D716-K774 WeakPolarHBondContact OD1-CB 3.35Å; D716-K774 PolarHBondContact OD1-N 3.49Å; D716-K774 WeakPolarHBondContact OD2-CE 3.46Å; D716-K774 IonicContact OD2-NZ 3.71Å; I717-K774 PolarHBondContact N-O 3.41Å; S748-K774 CarbonylContact O-C 3.47Å; S748-K774 WeakPolarHBondContact O-CA 3.32Å; L750-K774 HydrophobicContact CD1-CD 4.16Å; I764-K774 PolarHBondContact O-NZ 3.35Å; M766-K774 PolarHBondContact O-NZ 3.39Å; A768-K774 HydrophobicContact CB-CD 4.18Å; A768-K774 HydrophobicContact CB-CG 3.74Å
775	C	92.3	Very high	80	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	103	164.8	-176.5	0	0	0	0	108.6	I717 L747 S748 I749 L750	I717-C775 HydrophobicContact CB-CB 4.46Å; I717-C775 CarbonylContact O-C 3.59Å; I717-C775 WeakPolarHBondContact O-CA 3.43Å; L747-C775 HydrophobicContact CD1-CB 3.93Å; L747-C775 HydrophobicContact CD2-CB 3.77Å; L747-C775 HydrophobicContact CG-CB 3.91Å; S748-C775 PolarHBondContact O-N 3.16Å; I749-C775 WeakPolarHBondContact CA-O 3.27Å; L750-C775 PolarHBondContact N-O 3.49Å
776	V	92.6	Very high	79.7	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	124	177.6	-177.5	0	0	0	0	108.7	I717 L718 I719 L750 I752	I717-V776 PolarHBondContact O-N 2.93Å; L718-V776 CarbonylContact C-O 3.45Å; L718-V776 WeakPolarHBondContact CA-O 3.39Å; L718-V776 HydrophobicContact CD1-CB 3.94Å; L718-V776 HydrophobicContact CD1-CG1 3.81Å; I719-V776 PolarHBondContact N-O 3.32Å; L750-V776 CarbonylContact O-C 3.47Å; L750-V776 VanDerWaalsContact O-CA 3.31Å; L750-V776 WeakPolarHBondContact O-CA 3.27Å; I752-V776 HydrophobicContact CG2-CG1 3.59Å
777	V	94	Very high	79.4	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	111.1	178.5	-168	0	0	0	0	108.6	I719 M721 I727 T730 L750 P751 I752	I719-V777 HydrophobicContact CB-CG1 4.24Å; I719-V777 HydrophobicContact CB-CG2 4.47Å; I719-V777 HydrophobicContact CD1-CG2 4.23Å; I719-V777 HydrophobicContact CG2-CG1 4.48Å; M721-V777 HydrophobicContact CG-CG1 3.95Å; I727-V777 HydrophobicContact CB-CG1 4.31Å; I727-V777 HydrophobicContact CG1-CG1 4.08Å; I727-V777 HydrophobicContact CG2-CB 4.15Å; I727-V777 HydrophobicContact CG2-CG1 4.06Å; T730-V777 HydrophobicContact CG2-CG1 3.82Å; T730-V777 HydrophobicContact CG2-CG2 4.28Å; L750-V777 PolarHBondContact O-N 2.72Å; P751-V777 CarbonylContact C-O 3.24Å; P751-V777 WeakPolarHBondContact CA-O 3.5Å; I752-V777 PolarHBondContact N-O 3.22Å
778	A	92.3	Very high	79.7	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	149.7	-159.6	0	0	0	0	0	114.2	L718 I719 F720 M721 I752 A782	L718-A778 HydrophobicContact CD1-CB 3.67Å; I719-A778 PolarHBondContact O-N 3.5Å; F720-A778 CarbonylContact C-O 3.54Å; F720-A778 WeakPolarHBondContact CA-O 3.31Å; M721-A778 PolarHBondContact N-O 3.39Å; I752-A778 HydrophobicContact CG2-CB 3.42Å; I752-A778 VanDerWaalsContact CG2-CB 3.42Å; I752-A778 VanDerWaalsContact O-CA 3.31Å; I752-A778 WeakPolarHBondContact O-CA 3.4Å; A778-A782 HydrophobicContact CB-CB 3.65Å
779	T	90.3	Very high	80	Confident	11 Å²	11	37.5 Å²	37.5	7%	0.067	22%	0.218	C	C	.	.			trans	-76.6	-173.2	159.6	65.1	0	0	0	0	111.5	M721 I727 I752 I781 A782	M721-T779 WeakPolarHBondContact O-CA 3.31Å; I727-T779 HydrophobicContact CD1-CG2 3.54Å; I752-T779 PolarHBondContact O-N 2.91Å; I752-T779 VanDerWaalsContact O-N 3.15Å; T779-I781 PolarHBondContact O-N 2.74Å; T779-I781 WeakPolarHBondContact OG1-CD1 3.33Å; T779-I781 WeakPolarHBondContact OG1-CG1 3.28Å; T779-I781 PolarHBondContact OG1-N 2.74Å; T779-A782 PolarHBondContact O-N 2.76Å
780	N	87	Confident	80.8	Confident	65 Å²	65	31.1 Å²	31.1	35%	0.348	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-56.5	-5.5	169.5	63.7	-26.8	0	0	0	114.9	A782 E783	N780-A782 VanDerWaalsContact C-N 3.27Å; N780-A782 PolarHBondContact O-N 3.22Å; N780-E783 HydrophobicContact CB-CB 4.36Å; N780-E783 WeakPolarHBondContact O-CA 3.3Å; N780-E783 WeakPolarHBondContact O-CB 3.48Å; N780-E783 PolarHBondContact O-N 2.95Å
781	I	81.8	Confident	81.8	Confident	27 Å²	27	23.6 Å²	23.6	14%	0.138	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-65.2	-31	174.6	-65.1	167	0	0	0	112.2	T779 E783 L786	T779-I781 PolarHBondContact O-N 2.74Å; T779-I781 WeakPolarHBondContact OG1-CD1 3.33Å; T779-I781 WeakPolarHBondContact OG1-CG1 3.28Å; T779-I781 PolarHBondContact OG1-N 2.74Å; I781-E783 PolarHBondContact O-N 3.36Å; I781-L786 HydrophobicContact CG2-CD2 4.49Å
782	A	83.9	Confident	82.8	Confident	5 Å²	5	23.6 Å²	23.6	4%	0.041	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-77.1	-9.4	171.7	0	0	0	0	0	113	L718 F720 A778 T779 N780 R830	L718-A782 HydrophobicContact CD1-CB 4.05Å; L718-A782 HydrophobicContact CD2-CB 4.07Å; F720-A782 HydrophobicContact CE1-CB 3.91Å; F720-A782 HydrophobicContact CZ-CB 4.22Å; A778-A782 HydrophobicContact CB-CB 3.65Å; T779-A782 PolarHBondContact O-N 2.76Å; N780-A782 VanDerWaalsContact C-N 3.27Å; N780-A782 PolarHBondContact O-N 3.22Å; A782-R830 WeakPolarHBondContact O-CD 3.24Å; A782-R830 PolarHBondContact O-NE 2.64Å; A782-R830 PolarHBondContact O-NH1 3.01Å; A782-R830 VanDerWaalsContact O-NH1 3.15Å
783	E	79.4	Confident	83.3	Confident	8 Å²	8	22.5 Å²	22.5	4%	0.037	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-33.5	-173.2	-169.2	179.7	133.9	0	0	113.7	F720 N780 I781 N823 Q826 R827 R830	F720-E783 HydrophobicContact CE1-CB 3.98Å; F720-E783 HydrophobicContact CZ-CB 4.46Å; N780-E783 HydrophobicContact CB-CB 4.36Å; N780-E783 WeakPolarHBondContact O-CA 3.3Å; N780-E783 WeakPolarHBondContact O-CB 3.48Å; N780-E783 PolarHBondContact O-N 2.95Å; I781-E783 PolarHBondContact O-N 3.36Å; E783-N823 VanDerWaalsContact OE1-CA 3.24Å; E783-N823 WeakPolarHBondContact OE1-CA 3.49Å; E783-N823 WeakPolarHBondContact OE1-CB 3.39Å; E783-N823 VanDerWaalsContact OE1-CG 3.28Å; E783-N823 PolarHBondContact OE1-ND2 3.35Å; E783-Q826 HydrophobicContact CG-CB 4.18Å; E783-R827 HydrophobicContact CB-CG 4.43Å; E783-R827 HydrophobicContact CG-CG 3.69Å; E783-R827 IonicContact OE2-CZ 3.66Å; E783-R827 IonicContact OE2-NE 2.82Å; E783-R827 PolarHBondContact OE2-NE 2.69Å; E783-R827 IonicContact OE2-NH2 3.84Å; E783-R827 PolarHBondContact OE2-NH2 3.48Å; E783-R827 VanDerWaalsContact OE2-NH2 3.15Å; E783-R830 PolarHBondContact O-NE 2.97Å; E783-R830 VanDerWaalsContact O-NE 3.1Å; E783-R830 PolarHBondContact O-NH2 2.91Å
784	T	70.2	Confident	83.6	Confident	7 Å²	7	21.9 Å²	21.9	4%	0.043	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.5	152.1	178.4	28.8	0	0	0	0	112	R559 H628 E629 L786	R559-T784 VanDerWaalsContact NH1-CB 3.29Å; R559-T784 PolarHBondContact NH1-OG1 3.45Å; R559-T784 PolarHBondContact NH2-OG1 3.37Å; H628-T784 WeakPolarHBondContact NE2-CG2 3.29Å; E629-T784 PolarHBondContact OE2-OG1 3.47Å; E629-T784 VanDerWaalsContact OE2-OG1 3.04Å; T784-L786 PolarHBondContact O-N 3.48Å
785	S	64.5	Low	83.9	Confident	24 Å²	24	21.6 Å²	21.6	17%	0.168	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	-34.6	-178.4	-37	0	0	0	0	119.8	R559 A562 E626	R559-S785 PolarHBondContact NH1-OG 2.97Å; A562-S785 VanDerWaalsContact CB-CB 3.46Å; E626-S785 PolarHBondContact OE2-N 3.25Å; E626-S785 VanDerWaalsContact OE2-N 3.16Å
786	L	69.2	Low	84.1	Confident	20 Å²	20	21.6 Å²	21.6	11%	0.105	12%	0.121	C	C	.	.			trans	-81	127.2	-173.4	-146.2	69.4	0	0	0	113.1	V561 I752 I764 F765 I781 T784 V788 R830 R833	V561-L786 HydrophobicContact CG1-CD1 4.4Å; I752-L786 HydrophobicContact CD1-CD2 3.92Å; I764-L786 HydrophobicContact CD1-CD2 3.74Å; F765-L786 HydrophobicContact CE1-CD1 4.29Å; F765-L786 HydrophobicContact CE1-CG 4.13Å; F765-L786 HydrophobicContact CZ-CD1 3.75Å; F765-L786 HydrophobicContact CZ-CD2 4.36Å; F765-L786 HydrophobicContact CZ-CG 3.98Å; I781-L786 HydrophobicContact CG2-CD2 4.49Å; T784-L786 PolarHBondContact O-N 3.48Å; L786-V788 HydrophobicContact CD2-CG2 4.46Å; L786-R830 PolarHBondContact O-NH1 3.44Å; L786-R833 PolarHBondContact O-NH1 3.25Å
787	T	68.1	Low	84.2	Confident	78 Å²	78	21.6 Å²	21.6	48%	0.479	12%	0.121	S	C	.	.			trans	-108	102.7	172.3	47	0	0	0	0	110.5	F765 R833	F765-T787 WeakPolarHBondContact CD1-O 3.5Å; F765-T787 WeakPolarHBondContact CE1-O 3.47Å; T787-R833 VanDerWaalsContact CG2-NH1 3.33Å
788	V	77.1	Confident	84.1	Confident	11 Å²	11	21.6 Å²	21.6	7%	0.067	12%	0.121	C	C	.	.			trans	-94.8	114.2	166.4	-178.4	0	0	0	0	107.6	I764 F765 L786 I791	I764-V788 HydrophobicContact CB-CG2 4.5Å; I764-V788 HydrophobicContact CD1-CG2 3.61Å; I764-V788 HydrophobicContact CG1-CG2 3.81Å; I764-V788 WeakPolarHBondContact O-CG1 3.12Å; F765-V788 HydrophobicContact CD1-CG2 4.48Å; F765-V788 HydrophobicContact CE1-CG2 4.29Å; L786-V788 HydrophobicContact CD2-CG2 4.46Å; V788-I791 HydrophobicContact CB-CD1 3.68Å; V788-I791 HydrophobicContact CB-CG1 4.3Å; V788-I791 HydrophobicContact CG1-CD1 4.1Å; V788-I791 HydrophobicContact CG1-CG1 4.26Å
789	D	76.2	Confident	84.3	Confident	74 Å²	74	22 Å²	22	40%	0.396	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	142.1	178.6	-78	1.2	0	0	0	110.8	T834	D789-T834 HydrophobicContact CB-CG2 4.37Å
790	G	82.6	Confident	84.3	Confident	26 Å²	26	22 Å²	22	27%	0.268	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	101.9	-15.1	176.9	0	0	0	0	0	115.1	D716 R792	D716-G790 PolarHBondContact N-O 2.66Å; G790-R792 PolarHBondContact O-N 3.36Å
791	I	88.1	Confident	84.4	Confident	7 Å²	7	21.1 Å²	21.1	4%	0.036	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	120.8	179.7	-61.2	170	0	0	0	110.8	L718 V788 V794	L718-I791 HydrophobicContact CB-CD1 3.83Å; L718-I791 HydrophobicContact CB-CG1 4.28Å; L718-I791 HydrophobicContact CB-CG2 3.91Å; L718-I791 HydrophobicContact CD1-CD1 4.47Å; L718-I791 HydrophobicContact CD2-CD1 3.83Å; L718-I791 HydrophobicContact CG-CD1 4.25Å; V788-I791 HydrophobicContact CB-CD1 3.68Å; V788-I791 HydrophobicContact CB-CG1 4.3Å; V788-I791 HydrophobicContact CG1-CD1 4.1Å; V788-I791 HydrophobicContact CG1-CG1 4.26Å; I791-V794 HydrophobicContact CG2-CG2 4.09Å
792	R	89.5	Confident	84.5	Confident	73 Å²	73	21.7 Å²	21.7	28%	0.275	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	-28.6	171.8	176.3	170.8	-88.7	157.3	-6	112.1	D714 D716 G790 A831 P836 G837 V838	D714-R792 WeakPolarHBondContact O-CD 3.48Å; D714-R792 PolarHBondContact O-NH1 3.37Å; D716-R792 PolarHBondContact O-N 3.36Å; G790-R792 PolarHBondContact O-N 3.36Å; R792-A831 WeakPolarHBondContact O-CB 3.23Å; R792-P836 WeakPolarHBondContact CG-O 3.41Å; R792-P836 PolarHBondContact NE-O 3.11Å; R792-G837 CarbonylContact O-C 3.57Å; R792-G837 WeakPolarHBondContact O-CA 3.44Å; R792-V838 PolarHBondContact O-N 3.42Å
793	Y	93.3	Very high	84.5	Confident	16 Å²	16	25.7 Å²	25.7	6%	0.063	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	126.7	-174.8	-57.6	-77.3	0	0	0	110.3	V707 S711 D716 I717 L718 V838 Y840	V707-Y793 HydrophobicContact CG1-CD1 3.74Å; V707-Y793 HydrophobicContact CG1-CD2 3.93Å; V707-Y793 HydrophobicContact CG1-CE1 4.28Å; V707-Y793 HydrophobicContact CG1-CE2 4.46Å; V707-Y793 HydrophobicContact CG1-CG 3.55Å; S711-Y793 WeakPolarHBondContact CB-OH 3.14Å; D716-Y793 PolarHBondContact O-N 2.82Å; I717-Y793 CarbonylContact C-O 3.57Å; I717-Y793 WeakPolarHBondContact CA-O 3.47Å; I717-Y793 HydrophobicContact CG1-CD2 4.46Å; L718-Y793 PolarHBondContact N-O 3.25Å; Y793-V838 CarbonylContact C-O 3.58Å; Y793-V838 WeakPolarHBondContact CA-O 3.22Å; Y793-V838 HydrophobicContact CD1-CB 4.21Å; Y793-V838 HydrophobicContact CE1-CG2 4.34Å; Y793-Y840 HydrophobicContact CD1-CE2 4.24Å
794	V	94.4	Very high	84.7	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	135.9	174.3	172.3	0	0	0	0	109.5	L718 F720 I791 R830 A831 V838 C839 Y840	L718-V794 HydrophobicContact CB-CG2 4.4Å; L718-V794 CarbonylContact O-C 3.57Å; L718-V794 VanDerWaalsContact O-CA 3.31Å; L718-V794 WeakPolarHBondContact O-CA 3.39Å; F720-V794 HydrophobicContact CD2-CG1 3.97Å; F720-V794 HydrophobicContact CE2-CG1 3.83Å; I791-V794 HydrophobicContact CG2-CG2 4.09Å; V794-R830 HydrophobicContact CG2-CB 4.17Å; V794-A831 HydrophobicContact CB-CB 4.44Å; V794-A831 HydrophobicContact CG2-CB 3.74Å; V794-V838 PolarHBondContact N-O 3.05Å; V794-C839 HydrophobicContact CB-CB 4.27Å; V794-C839 CarbonylContact O-C 3.56Å; V794-C839 WeakPolarHBondContact O-CA 3.45Å; V794-Y840 PolarHBondContact O-N 2.65Å
795	I	95.8	Very high	85.2	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	117.4	172.5	-59.8	174.8	0	0	0	107.5	Q703 A704 I717 L718 I719 F720 Y840 L842	Q703-I795 HydrophobicContact CB-CD1 4.04Å; Q703-I795 HydrophobicContact CB-CG2 4.45Å; Q703-I795 HydrophobicContact CG-CD1 3.85Å; Q703-I795 HydrophobicContact CG-CG1 4.07Å; Q703-I795 HydrophobicContact CG-CG2 4.43Å; A704-I795 HydrophobicContact CB-CD1 3.88Å; I717-I795 HydrophobicContact CG2-CD1 3.98Å; I717-I795 HydrophobicContact CG2-CG1 4.43Å; L718-I795 PolarHBondContact O-N 3.11Å; I719-I795 WeakPolarHBondContact CA-O 3.21Å; I719-I795 HydrophobicContact CD1-CD1 4.42Å; I719-I795 HydrophobicContact CG1-CB 4.28Å; I719-I795 HydrophobicContact CG1-CD1 4.23Å; I719-I795 HydrophobicContact CG2-CB 4.31Å; I719-I795 HydrophobicContact CG2-CG2 4.32Å; F720-I795 PolarHBondContact N-O 2.67Å; I795-Y840 WeakPolarHBondContact CA-O 3.45Å; I795-Y840 HydrophobicContact CG1-CD2 4.34Å; I795-L842 HydrophobicContact CG2-CD1 3.88Å; I795-L842 HydrophobicContact CG2-CD2 4.36Å; I795-L842 HydrophobicContact CG2-CG 4.17Å
796	D	95.5	Very high	85.8	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	113.4	-176.5	-169.5	2.5	0	0	0	111.1	G798 I819 R827 Y840 L842	D796-G798 VanDerWaalsContact C-N 3.26Å; D796-G798 PolarHBondContact O-N 3.08Å; D796-G798 PolarHBondContact OD1-N 3Å; D796-I819 WeakPolarHBondContact OD2-CD1 3.26Å; D796-R827 VanDerWaalsContact CG-CD 3.41Å; D796-R827 VanDerWaalsContact OD1-CD 3.27Å; D796-R827 WeakPolarHBondContact OD1-CD 3.48Å; D796-R827 IonicContact OD1-CZ 3.63Å; D796-R827 IonicContact OD1-NE 3.95Å; D796-R827 IonicContact OD1-NH1 3.92Å; D796-R827 PolarHBondContact OD1-NH1 2.87Å; D796-R827 VanDerWaalsContact OD2-CD 3.24Å; D796-R827 WeakPolarHBondContact OD2-CD 3.46Å; D796-Y840 PolarHBondContact N-O 3.24Å; D796-L842 PolarHBondContact O-N 3.11Å
797	C	94.5	Very high	86	Confident	2 Å²	2	28.7 Å²	28.7	1%	0.014	15%	0.151	C	C	.	.			trans	-69.7	-20.5	175.5	67.9	0	0	0	0	113.6	Y696 F720 Y799	Y696-C797 HydrophobicContact CD2-CB 4.27Å; Y696-C797 HydrophobicContact CG-CB 4.41Å; F720-C797 PolarHBondContact O-SG 2.69Å; C797-Y799 HydrophobicContact CB-CD2 4.36Å; C797-Y799 VanDerWaalsContact O-CD2 3.25Å; C797-Y799 WeakPolarHBondContact O-CD2 3.24Å; C797-Y799 WeakPolarHBondContact O-CE2 3.39Å; C797-Y799 PolarHBondContact SG-N 3.48Å; C797-Y799 VanDerWaalsContact SG-N 3.44Å
798	G	93.6	Very high	86	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	82.8	10.7	-177.1	0	0	0	0	0	115.8	D796 P818 I819	D796-G798 VanDerWaalsContact C-N 3.26Å; D796-G798 PolarHBondContact O-N 3.08Å; D796-G798 PolarHBondContact OD1-N 3Å; G798-P818 WeakPolarHBondContact O-CA 3.5Å; G798-I819 PolarHBondContact O-N 3.05Å
799	Y	94.4	Very high	85.8	Confident	7 Å²	7	34.5 Å²	34.5	3%	0.027	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	160.4	-178.9	-58.9	-76.7	0	0	0	113.9	M416 V419 A420 Y696 C797 I816 F817 P818 I819 R827	M416-Y799 HydrophobicContact CB-CE1 4.34Å; M416-Y799 HydrophobicContact CE-CE1 3.98Å; M416-Y799 HydrophobicContact CE-CE2 4.27Å; V419-Y799 HydrophobicContact CG1-CE2 4.42Å; V419-Y799 WeakPolarHBondContact CG1-OH 2.97Å; A420-Y799 HydrophobicContact CB-CD1 3.99Å; A420-Y799 HydrophobicContact CB-CE1 3.9Å; Y696-Y799 AromaticContact CD1-CD2 3.65Å; Y696-Y799 HydrophobicContact CD1-CD2 3.65Å; Y696-Y799 AromaticContact CD1-CE2 3.51Å; Y696-Y799 HydrophobicContact CD1-CE2 3.51Å; Y696-Y799 HydrophobicContact CE1-CD2 4.06Å; Y696-Y799 HydrophobicContact CE1-CE2 4.16Å; Y696-Y799 AromaticContact CG-CD2 3.9Å; Y696-Y799 HydrophobicContact CG-CD2 3.9Å; Y696-Y799 AromaticContact CG-CE2 3.99Å; Y696-Y799 HydrophobicContact CG-CE2 3.99Å; C797-Y799 HydrophobicContact CB-CD2 4.36Å; C797-Y799 VanDerWaalsContact O-CD2 3.25Å; C797-Y799 WeakPolarHBondContact O-CD2 3.24Å; C797-Y799 WeakPolarHBondContact O-CE2 3.39Å; C797-Y799 PolarHBondContact SG-N 3.48Å; C797-Y799 VanDerWaalsContact SG-N 3.44Å; Y799-I816 HydrophobicContact CD1-CG2 4.24Å; Y799-I816 HydrophobicContact CG-CG2 4.37Å; Y799-F817 WeakPolarHBondContact CA-O 3.27Å; Y799-P818 HydrophobicContact CE1-CG 4.42Å; Y799-I819 VanDerWaalsContact C-CG2 3.48Å; Y799-R827 PolarHBondContact O-NH1 2.71Å; Y799-R827 VanDerWaalsContact O-NH1 3.11Å; Y799-R827 PolarHBondContact O-NH2 3.31Å; Y799-R827 VanDerWaalsContact O-NH2 3.17Å
800	C	91.6	Very high	85.5	Confident	12 Å²	12	33 Å²	33	8%	0.081	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	153.9	167.3	60.1	0	0	0	0	111.2	I816 F817 I819	C800-I816 WeakPolarHBondContact O-CA 3.42Å; C800-F817 PolarHBondContact N-O 3.29Å; C800-F817 PolarHBondContact O-N 3.19Å; C800-I819 HydrophobicContact CB-CG2 4.03Å
801	K	88	Confident	85	Confident	46 Å²	46	32.2 Å²	32.2	20%	0.2	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	134.2	161.9	-77.6	-177.7	174.1	-171.2	0	109.3	D305 D307 P722 Q815 I816	D305-K801 IonicContact OD2-NZ 3.47Å; D305-K801 PolarHBondContact OD2-NZ 2.75Å; D307-K801 IonicContact OD2-NZ 3.29Å; D307-K801 PolarHBondContact OD2-NZ 3.38Å; D307-K801 VanDerWaalsContact OD2-NZ 3.15Å; P722-K801 WeakPolarHBondContact O-CG 3.45Å; P722-K801 PolarHBondContact O-N 3.01Å; K801-Q815 CarbonylContact C-O 3.6Å; K801-Q815 WeakPolarHBondContact CA-O 3.43Å; K801-I816 HydrophobicContact CG-CG1 3.87Å
802	L	85.3	Confident	84.4	Confident	40 Å²	40	34.5 Å²	34.5	21%	0.209	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	143.8	173.7	-61.5	175.6	0	0	0	110.9	P408 Q815 F817	P408-L802 HydrophobicContact CB-CD1 4.21Å; P408-L802 HydrophobicContact CG-CD1 4.34Å; L802-Q815 PolarHBondContact N-O 3.24Å; L802-Q815 PolarHBondContact O-N 3.46Å; L802-F817 HydrophobicContact CB-CD2 3.92Å; L802-F817 HydrophobicContact CB-CE2 4.43Å; L802-F817 HydrophobicContact CD1-CB 4.17Å; L802-F817 HydrophobicContact CD1-CD2 4.09Å; L802-F817 HydrophobicContact CD1-CG 4.44Å; L802-F817 HydrophobicContact CG-CD2 4.29Å
803	K	82.8	Confident	83.7	Confident	88 Å²	88	31.9 Å²	31.9	38%	0.383	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	131.9	170.3	-165.5	173.8	179.4	-175	0	110.7	D812 A813 L814 R862	K803-D812 WeakPolarHBondContact CE-OD1 3.3Å; K803-D812 WeakPolarHBondContact CE-OD2 3.41Å; K803-D812 IonicContact NZ-OD1 3.58Å; K803-D812 IonicContact NZ-OD2 3.9Å; K803-D812 PolarHBondContact NZ-OD2 3.41Å; K803-A813 WeakPolarHBondContact CA-O 3.21Å; K803-L814 HydrophobicContact CB-CD2 3.87Å; K803-L814 HydrophobicContact CG-CD2 4.35Å; K803-R862 PolarHBondContact O-NH1 2.68Å
804	V	84.3	Confident	83.1	Confident	31 Å²	31	34.1 Å²	34.1	19%	0.188	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	120.5	178.8	-179.7	0	0	0	0	109.9	P408 A813 F817 R862	P408-V804 HydrophobicContact CG-CG2 4.28Å; V804-A813 PolarHBondContact N-O 3.2Å; V804-A813 PolarHBondContact O-N 2.9Å; V804-F817 HydrophobicContact CG2-CE2 3.61Å; V804-F817 HydrophobicContact CG2-CZ 4.01Å; V804-R862 CarbonylContact C-O 3.56Å; V804-R862 WeakPolarHBondContact CA-O 3.47Å
805	F	80.7	Confident	82.6	Confident	10 Å²	10	38.6 Å²	38.6	4%	0.044	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	130.3	174.4	-178.8	-118.5	0	0	0	110.9	P807 M811 D812 R862 N864	F805-P807 HydrophobicContact CD1-CB 4.31Å; F805-P807 HydrophobicContact CE1-CB 3.92Å; F805-P807 WeakPolarHBondContact O-CD 3.21Å; F805-M811 WeakPolarHBondContact CA-O 3.13Å; F805-M811 WeakPolarHBondContact CD2-O 3.4Å; F805-D812 WeakPolarHBondContact CB-OD1 3.47Å; F805-D812 WeakPolarHBondContact CD2-OD1 3.5Å; F805-R862 WeakPolarHBondContact CB-O 3.21Å; F805-R862 PolarHBondContact N-O 2.99Å; F805-N864 HydrophobicContact CD1-CB 4.38Å; F805-N864 HydrophobicContact CD2-CB 3.99Å; F805-N864 HydrophobicContact CE1-CB 4.29Å; F805-N864 HydrophobicContact CE2-CB 3.89Å; F805-N864 HydrophobicContact CG-CB 4.23Å; F805-N864 HydrophobicContact CZ-CB 4.04Å
806	N	76.9	Confident	82.3	Confident	67 Å²	67	40 Å²	40	36%	0.358	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	102.5	170.4	-173.7	-19.7	0	0	0	109.9	K808 I809 G810 M811	N806-K808 PolarHBondContact O-N 3.27Å; N806-K808 VanDerWaalsContact O-N 3.15Å; N806-K808 PolarHBondContact OD1-N 2.9Å; N806-I809 WeakPolarHBondContact ND2-CD1 3.44Å; N806-I809 PolarHBondContact O-N 3.4Å; N806-G810 PolarHBondContact O-N 2.92Å; N806-M811 PolarHBondContact N-O 3.36Å
807	P	72.5	Confident	82.1	Confident	14 Å²	14	40.8 Å²	40.8	9%	0.091	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-24.4	-173.8	27.5	-37.4	0	0	0	113.6	F805 I809 D892 N893 N896	F805-P807 HydrophobicContact CD1-CB 4.31Å; F805-P807 HydrophobicContact CE1-CB 3.92Å; F805-P807 WeakPolarHBondContact O-CD 3.21Å; P807-I809 VanDerWaalsContact C-N 3.33Å; P807-D892 HydrophobicContact CB-CB 4.49Å; P807-D892 HydrophobicContact CG-CB 4.33Å; P807-N893 WeakPolarHBondContact CB-OD1 3.03Å; P807-N893 VanDerWaalsContact CG-OD1 3.28Å; P807-N893 WeakPolarHBondContact CG-OD1 3.49Å; P807-N896 PolarHBondContact O-ND2 3.48Å
808	K	69.6	Low	82.1	Confident	160 Å²	160	41.5 Å²	41.5	70%	0.696	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	-28	-179.4	-64.3	-179.8	179.9	174.3	0	112.8	N806	N806-K808 PolarHBondContact O-N 3.27Å; N806-K808 VanDerWaalsContact O-N 3.15Å; N806-K808 PolarHBondContact OD1-N 2.9Å
809	I	71.6	Confident	82.1	Confident	52 Å²	52	41.7 Å²	41.7	27%	0.267	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-28.3	-179.5	-43.9	179.8	0	0	0	110.6	N806 P807 M811 M1071	N806-I809 WeakPolarHBondContact ND2-CD1 3.44Å; N806-I809 PolarHBondContact O-N 3.4Å; P807-I809 VanDerWaalsContact C-N 3.33Å; I809-M811 HydrophobicContact CB-CE 4.3Å; I809-M811 HydrophobicContact CB-CG 4.2Å; I809-M811 HydrophobicContact CD1-CE 3.95Å; I809-M811 HydrophobicContact CG2-CE 3.81Å; I809-M811 HydrophobicContact CG2-CG 3.71Å; I809-M811 HydrophobicContact CG2-SD 3.76Å; I809-M1071 HydrophobicContact CD1-CE 4.09Å; I809-M1071 HydrophobicContact CG2-CE 3.79Å; I809-M1071 HydrophobicContact CG2-SD 3.28Å; I809-M1071 WeakPolarHBondContact CG2-SD 3.46Å
810	G	70.3	Confident	81.9	Confident	41 Å²	41	41.5 Å²	41.5	42%	0.423	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	22.8	-173.7	0	0	0	0	0	113.2	N806	N806-G810 PolarHBondContact O-N 2.92Å
811	M	73	Confident	81.8	Confident	10 Å²	10	42.7 Å²	42.7	5%	0.049	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	138.4	179.8	-60.4	-174.2	-40.6	0	0	111.1	F805 N806 I809 M1071 L1096 M1098 E1102	F805-M811 WeakPolarHBondContact CA-O 3.13Å; F805-M811 WeakPolarHBondContact CD2-O 3.4Å; N806-M811 PolarHBondContact N-O 3.36Å; I809-M811 HydrophobicContact CB-CE 4.3Å; I809-M811 HydrophobicContact CB-CG 4.2Å; I809-M811 HydrophobicContact CD1-CE 3.95Å; I809-M811 HydrophobicContact CG2-CE 3.81Å; I809-M811 HydrophobicContact CG2-CG 3.71Å; I809-M811 HydrophobicContact CG2-SD 3.76Å; M811-M1071 HydrophobicContact CE-CE 4.19Å; M811-M1071 HydrophobicContact SD-CE 4.46Å; M811-M1071 HydrophobicContact SD-SD 4.41Å; M811-L1096 HydrophobicContact CG-CD2 3.95Å; M811-L1096 HydrophobicContact CG-CG 4.35Å; M811-L1096 HydrophobicContact SD-CD2 3.57Å; M811-L1096 VanDerWaalsContact SD-CD2 3.57Å; M811-L1096 HydrophobicContact SD-CG 3.86Å; M811-M1098 HydrophobicContact CE-CB 4.17Å; M811-M1098 HydrophobicContact CE-CE 4.21Å; M811-M1098 HydrophobicContact CE-CG 4.41Å; M811-M1098 HydrophobicContact CE-SD 3.81Å; M811-E1102 HydrophobicContact CE-CG 4.36Å; M811-E1102 HydrophobicContact SD-CG 4.2Å
812	D	74	Confident	81.7	Confident	55 Å²	55	41.2 Å²	41.2	29%	0.294	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	138.4	160.7	-79.4	-38.4	0	0	0	109.5	K803 F805	K803-D812 WeakPolarHBondContact CE-OD1 3.3Å; K803-D812 WeakPolarHBondContact CE-OD2 3.41Å; K803-D812 IonicContact NZ-OD1 3.58Å; K803-D812 IonicContact NZ-OD2 3.9Å; K803-D812 PolarHBondContact NZ-OD2 3.41Å; F805-D812 WeakPolarHBondContact CB-OD1 3.47Å; F805-D812 WeakPolarHBondContact CD2-OD1 3.5Å
813	A	76.6	Confident	81.9	Confident	19 Å²	19	40.6 Å²	40.6	16%	0.157	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	143.7	173.6	0	0	0	0	0	111	K803 V804 Q815	K803-A813 WeakPolarHBondContact CA-O 3.21Å; V804-A813 PolarHBondContact N-O 3.2Å; V804-A813 PolarHBondContact O-N 2.9Å; A813-Q815 HydrophobicContact CB-CG 4.49Å
814	L	80	Confident	82.2	Confident	63 Å²	63	36.4 Å²	36.4	33%	0.33	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	120.2	172.1	-75.1	163.5	0	0	0	108.7	D302 D305 K803	D302-L814 WeakPolarHBondContact O-CD1 3.24Å; D305-L814 VanDerWaalsContact OD1-CB 3.24Å; D305-L814 WeakPolarHBondContact OD1-CB 2.69Å; D305-L814 WeakPolarHBondContact OD1-CD1 3.49Å; K803-L814 HydrophobicContact CB-CD2 3.87Å; K803-L814 HydrophobicContact CG-CD2 4.35Å
815	Q	84	Confident	82.4	Confident	93 Å²	93	37.2 Å²	37.2	44%	0.435	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	148.8	-175.3	-67.9	-178.3	-2.8	0	0	111	K801 L802 A813 F817	K801-Q815 CarbonylContact C-O 3.6Å; K801-Q815 WeakPolarHBondContact CA-O 3.43Å; L802-Q815 PolarHBondContact N-O 3.24Å; L802-Q815 PolarHBondContact O-N 3.46Å; A813-Q815 HydrophobicContact CB-CG 4.49Å; Q815-F817 HydrophobicContact CB-CD2 4.31Å; Q815-F817 HydrophobicContact CB-CE2 3.59Å; Q815-F817 HydrophobicContact CB-CZ 3.97Å; Q815-F817 WeakPolarHBondContact O-CD2 3.3Å
816	I	89.7	Confident	82.7	Confident	31 Å²	31	37.3 Å²	37.3	16%	0.159	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	132.9	176.2	-56.9	175.2	0	0	0	108.9	A420 P722 Y799 C800 K801	A420-I816 HydrophobicContact CB-CG2 4.12Å; A420-I816 WeakPolarHBondContact CB-O 3.41Å; P722-I816 HydrophobicContact CB-CG1 4.47Å; P722-I816 HydrophobicContact CB-CG2 4.13Å; P722-I816 HydrophobicContact CG-CD1 4.38Å; Y799-I816 HydrophobicContact CD1-CG2 4.24Å; Y799-I816 HydrophobicContact CG-CG2 4.37Å; C800-I816 WeakPolarHBondContact O-CA 3.42Å; K801-I816 HydrophobicContact CG-CG1 3.87Å
817	F	91.4	Very high	83.3	Confident	16 Å²	16	34.1 Å²	34.1	7%	0.07	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	158.2	175	-68.5	-76.5	0	0	0	111.7	P408 V409 Y799 C800 L802 V804 Q815	P408-F817 HydrophobicContact CG-CD1 3.86Å; P408-F817 HydrophobicContact CG-CD2 3.85Å; P408-F817 HydrophobicContact CG-CE1 3.78Å; P408-F817 HydrophobicContact CG-CE2 3.75Å; P408-F817 HydrophobicContact CG-CG 3.88Å; P408-F817 HydrophobicContact CG-CZ 3.72Å; V409-F817 HydrophobicContact CG2-CD1 3.42Å; V409-F817 VanDerWaalsContact CG2-CD1 3.42Å; V409-F817 HydrophobicContact CG2-CE1 3.74Å; Y799-F817 WeakPolarHBondContact CA-O 3.27Å; C800-F817 PolarHBondContact N-O 3.29Å; C800-F817 PolarHBondContact O-N 3.19Å; L802-F817 HydrophobicContact CB-CD2 3.92Å; L802-F817 HydrophobicContact CB-CE2 4.43Å; L802-F817 HydrophobicContact CD1-CB 4.17Å; L802-F817 HydrophobicContact CD1-CD2 4.09Å; L802-F817 HydrophobicContact CD1-CG 4.44Å; L802-F817 HydrophobicContact CG-CD2 4.29Å; V804-F817 HydrophobicContact CG2-CE2 3.61Å; V804-F817 HydrophobicContact CG2-CZ 4.01Å; Q815-F817 HydrophobicContact CB-CD2 4.31Å; Q815-F817 HydrophobicContact CB-CE2 3.59Å; Q815-F817 HydrophobicContact CB-CZ 3.97Å; Q815-F817 WeakPolarHBondContact O-CD2 3.3Å
818	P	93.7	Very high	84.1	Confident	17 Å²	17	33.5 Å²	33.5	11%	0.11	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	143.2	166.9	-17.4	32	0	0	0	111	M416 G798 Y799	M416-P818 HydrophobicContact CB-CB 4.24Å; M416-P818 HydrophobicContact CB-CG 3.79Å; M416-P818 HydrophobicContact CE-CB 4.39Å; G798-P818 WeakPolarHBondContact O-CA 3.5Å; Y799-P818 HydrophobicContact CE1-CG 4.42Å
819	I	92.9	Very high	84.8	Confident	3 Å²	3	26.2 Å²	26.2	2%	0.015	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-73.5	163	175.7	68.8	-178.2	0	0	0	112.2	D796 G798 Y799 C800 N823 A824	D796-I819 WeakPolarHBondContact OD2-CD1 3.26Å; G798-I819 PolarHBondContact O-N 3.05Å; Y799-I819 VanDerWaalsContact C-CG2 3.48Å; C800-I819 HydrophobicContact CB-CG2 4.03Å; I819-N823 HydrophobicContact CB-CB 3.95Å; I819-N823 HydrophobicContact CD1-CB 4.41Å; I819-N823 HydrophobicContact CG1-CB 4.46Å; I819-A824 HydrophobicContact CD1-CB 3.63Å; I819-A824 HydrophobicContact CG1-CB 4.23Å
820	S	90.7	Very high	85.4	Confident	4 Å²	4	24 Å²	24	3%	0.028	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-79.8	160.1	168.7	79.6	0	0	0	0	112.3	A822 N823 A824 L853 S856	S820-A822 PolarHBondContact O-N 3.02Å; S820-A822 PolarHBondContact OG-N 2.86Å; S820-N823 VanDerWaalsContact CB-OD1 3.32Å; S820-N823 WeakPolarHBondContact CB-OD1 3.43Å; S820-N823 PolarHBondContact N-OD1 3.46Å; S820-N823 VanDerWaalsContact N-OD1 3.15Å; S820-N823 WeakPolarHBondContact O-CB 3.42Å; S820-N823 PolarHBondContact O-N 3.43Å; S820-N823 VanDerWaalsContact O-N 3.11Å; S820-N823 PolarHBondContact OG-N 2.84Å; S820-N823 PolarHBondContact OG-OD1 2.72Å; S820-A824 PolarHBondContact O-N 2.79Å; S820-L853 CarbonylContact C-O 3.57Å; S820-L853 WeakPolarHBondContact CA-O 3.38Å; S820-L853 VanDerWaalsContact CB-O 3.3Å; S820-L853 WeakPolarHBondContact CB-O 3.43Å; S820-S856 PolarHBondContact OG-N 2.93Å
821	Q	90.3	Very high	86.2	Confident	36 Å²	36	22 Å²	22	17%	0.168	12%	0.119	C	C	.	.	H	α-helix	trans	-57.2	-35.2	172.3	-63.3	-177.7	20.9	0	0	111.8	A824 N825 Y848 M852 L853	Q821-A824 PolarHBondContact O-N 2.81Å; Q821-N825 PolarHBondContact O-N 3.46Å; Q821-N825 PolarHBondContact O-ND2 2.74Å; Q821-Y848 HydrophobicContact CB-CE2 3.78Å; Q821-Y848 HydrophobicContact CG-CD2 4.09Å; Q821-Y848 HydrophobicContact CG-CE1 4.26Å; Q821-Y848 HydrophobicContact CG-CE2 3.7Å; Q821-Y848 WeakPolarHBondContact CG-O 3.42Å; Q821-Y848 PolarHBondContact NE2-O 2.98Å; Q821-M852 HydrophobicContact CG-CB 4.08Å; Q821-L853 PolarHBondContact N-O 3.33Å
822	A	86	Confident	86.4	Confident	16 Å²	16	21.7 Å²	21.7	13%	0.132	12%	0.118	C	C	.	.	H	α-helix	trans	-62.7	-45.6	174.6	0	0	0	0	0	112.1	T659 S820 N825 Q826 I854	T659-A822 HydrophobicContact CG2-CB 4.21Å; S820-A822 PolarHBondContact O-N 3.02Å; S820-A822 PolarHBondContact OG-N 2.86Å; A822-N825 PolarHBondContact O-N 2.99Å; A822-Q826 WeakPolarHBondContact O-CG 3.5Å; A822-Q826 PolarHBondContact O-N 2.95Å; A822-Q826 VanDerWaalsContact O-N 3.15Å; A822-Q826 PolarHBondContact O-NE2 3.28Å; A822-I854 WeakPolarHBondContact CB-O 3.31Å; A822-I854 PolarHBondContact N-O 2.83Å
823	N	88.3	Confident	86.5	Confident	27 Å²	27	20.6 Å²	20.6	14%	0.144	11%	0.11	C	C	.	.	H	α-helix	trans	-59.7	-49.3	174.6	-62.1	113.5	0	0	0	110.4	E783 I819 S820 N825 Q826 R827	E783-N823 VanDerWaalsContact OE1-CA 3.24Å; E783-N823 WeakPolarHBondContact OE1-CA 3.49Å; E783-N823 WeakPolarHBondContact OE1-CB 3.39Å; E783-N823 VanDerWaalsContact OE1-CG 3.28Å; E783-N823 PolarHBondContact OE1-ND2 3.35Å; I819-N823 HydrophobicContact CB-CB 3.95Å; I819-N823 HydrophobicContact CD1-CB 4.41Å; I819-N823 HydrophobicContact CG1-CB 4.46Å; S820-N823 VanDerWaalsContact CB-OD1 3.32Å; S820-N823 WeakPolarHBondContact CB-OD1 3.43Å; S820-N823 PolarHBondContact N-OD1 3.46Å; S820-N823 VanDerWaalsContact N-OD1 3.15Å; S820-N823 WeakPolarHBondContact O-CB 3.42Å; S820-N823 PolarHBondContact O-N 3.43Å; S820-N823 VanDerWaalsContact O-N 3.11Å; S820-N823 PolarHBondContact OG-N 2.84Å; S820-N823 PolarHBondContact OG-OD1 2.72Å; N823-N825 PolarHBondContact O-N 2.85Å; N823-N825 VanDerWaalsContact O-N 3.16Å; N823-Q826 WeakPolarHBondContact O-CB 3.47Å; N823-Q826 PolarHBondContact O-N 3.38Å; N823-R827 WeakPolarHBondContact O-CG 3.36Å; N823-R827 PolarHBondContact O-N 2.9Å
824	A	90.6	Very high	86.4	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-61.8	-27.4	-179.2	0	0	0	0	0	113.9	I819 S820 Q821 A828 R841 Y843 Y848	I819-A824 HydrophobicContact CD1-CB 3.63Å; I819-A824 HydrophobicContact CG1-CB 4.23Å; S820-A824 PolarHBondContact O-N 2.79Å; Q821-A824 PolarHBondContact O-N 2.81Å; A824-A828 WeakPolarHBondContact O-CB 3.4Å; A824-A828 PolarHBondContact O-N 2.91Å; A824-R841 PolarHBondContact O-NH2 2.87Å; A824-Y843 WeakPolarHBondContact CB-OH 3.11Å; A824-Y848 HydrophobicContact CB-CE2 4.19Å
825	N	87.9	Confident	86.5	Confident	47 Å²	47	19.9 Å²	19.9	25%	0.251	11%	0.109	S	C	.	.	H	α-helix	trans	-80.7	-29.6	174.2	-74.5	-47.8	0	0	0	112.7	K686 Q821 A822 N823 G829 R841 Y848	K686-N825 PolarHBondContact NZ-OD1 3.36Å; Q821-N825 PolarHBondContact O-N 3.46Å; Q821-N825 PolarHBondContact O-ND2 2.74Å; A822-N825 PolarHBondContact O-N 2.99Å; N823-N825 PolarHBondContact O-N 2.85Å; N823-N825 VanDerWaalsContact O-N 3.16Å; N825-G829 PolarHBondContact O-N 3.22Å; N825-R841 PolarHBondContact OD1-NH2 2.82Å; N825-Y848 PolarHBondContact ND2-OH 2.93Å
826	Q	86	Confident	86.6	Confident	12 Å²	12	18.7 Å²	18.7	6%	0.056	11%	0.109	C	C	.	.	H	α-helix	trans	-71.6	-42.8	172	-67.6	167.9	57.4	0	0	111.9	H628 T659 E783 A822 N823 G829 R830	H628-Q826 PolarHBondContact CD2-OE1 3.43Å; H628-Q826 PolarHBondContact NE2-OE1 3.15Å; H628-Q826 VanDerWaalsContact NE2-OE1 3.17Å; T659-Q826 HydrophobicContact CG2-CG 4.16Å; T659-Q826 VanDerWaalsContact CG2-NE2 3.31Å; E783-Q826 HydrophobicContact CG-CB 4.18Å; A822-Q826 WeakPolarHBondContact O-CG 3.5Å; A822-Q826 PolarHBondContact O-N 2.95Å; A822-Q826 VanDerWaalsContact O-N 3.15Å; A822-Q826 PolarHBondContact O-NE2 3.28Å; N823-Q826 WeakPolarHBondContact O-CB 3.47Å; N823-Q826 PolarHBondContact O-N 3.38Å; Q826-G829 WeakPolarHBondContact O-CA 3.45Å; Q826-G829 PolarHBondContact O-N 3.25Å; Q826-R830 PolarHBondContact O-N 3.37Å
827	R	89.9	Confident	86.6	Confident	1 Å²	1	17.4 Å²	17.4	0%	0.004	10%	0.103	C	C	.	.	H	α-helix	trans	-54	-53.4	170.9	-68.5	-176.2	178.4	-166.3	-3.5	110.9	F720 E783 D796 Y799 N823 G829 R830	F720-R827 HydrophobicContact CD1-CG 4.17Å; F720-R827 HydrophobicContact CD2-CB 3.91Å; F720-R827 HydrophobicContact CD2-CG 3.83Å; F720-R827 HydrophobicContact CE1-CG 4Å; F720-R827 HydrophobicContact CE2-CB 3.57Å; F720-R827 HydrophobicContact CE2-CG 3.65Å; F720-R827 HydrophobicContact CG-CG 4.08Å; F720-R827 HydrophobicContact CZ-CB 4.04Å; F720-R827 HydrophobicContact CZ-CG 3.73Å; E783-R827 HydrophobicContact CB-CG 4.43Å; E783-R827 HydrophobicContact CG-CG 3.69Å; E783-R827 IonicContact OE2-CZ 3.66Å; E783-R827 IonicContact OE2-NE 2.82Å; E783-R827 PolarHBondContact OE2-NE 2.69Å; E783-R827 IonicContact OE2-NH2 3.84Å; E783-R827 PolarHBondContact OE2-NH2 3.48Å; E783-R827 VanDerWaalsContact OE2-NH2 3.15Å; D796-R827 VanDerWaalsContact CG-CD 3.41Å; D796-R827 VanDerWaalsContact OD1-CD 3.27Å; D796-R827 WeakPolarHBondContact OD1-CD 3.48Å; D796-R827 IonicContact OD1-CZ 3.63Å; D796-R827 IonicContact OD1-NE 3.95Å; D796-R827 IonicContact OD1-NH1 3.92Å; D796-R827 PolarHBondContact OD1-NH1 2.87Å; D796-R827 VanDerWaalsContact OD2-CD 3.24Å; D796-R827 WeakPolarHBondContact OD2-CD 3.46Å; Y799-R827 PolarHBondContact O-NH1 2.71Å; Y799-R827 VanDerWaalsContact O-NH1 3.11Å; Y799-R827 PolarHBondContact O-NH2 3.31Å; Y799-R827 VanDerWaalsContact O-NH2 3.17Å; N823-R827 WeakPolarHBondContact O-CG 3.36Å; N823-R827 PolarHBondContact O-N 2.9Å; R827-G829 VanDerWaalsContact C-N 3.25Å; R827-G829 PolarHBondContact O-N 2.81Å; R827-R830 WeakPolarHBondContact O-CB 3.44Å; R827-R830 WeakPolarHBondContact O-CG 3.48Å; R827-R830 PolarHBondContact O-N 3.3Å; R827-R830 VanDerWaalsContact O-N 3.09Å
828	A	89.1	Confident	86.6	Confident	0 Å²	0	18 Å²	18	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-58.2	-35.3	173.8	0	0	0	0	0	113	A824 R830 A831 C839	A824-A828 WeakPolarHBondContact O-CB 3.4Å; A824-A828 PolarHBondContact O-N 2.91Å; A828-R830 PolarHBondContact O-N 3.24Å; A828-A831 PolarHBondContact O-N 3.43Å; A828-C839 HydrophobicContact CB-CB 3.81Å; A828-C839 VanDerWaalsContact CB-SG 3.6Å
829	G	84.1	Confident	86.7	Confident	8 Å²	8	17.2 Å²	17.2	8%	0.082	10%	0.103	C	C	.	.	H	α-helix	trans	-61.6	-18.8	176.5	0	0	0	0	0	114.9	N825 Q826 R827 A831 G832	N825-G829 PolarHBondContact O-N 3.22Å; Q826-G829 WeakPolarHBondContact O-CA 3.45Å; Q826-G829 PolarHBondContact O-N 3.25Å; R827-G829 VanDerWaalsContact C-N 3.25Å; R827-G829 PolarHBondContact O-N 2.81Å; G829-A831 VanDerWaalsContact C-N 3.34Å; G829-A831 PolarHBondContact O-N 3.05Å; G829-G832 PolarHBondContact O-N 2.85Å
830	R	85.6	Confident	86.8	Confident	4 Å²	4	19.2 Å²	19.2	2%	0.015	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-67.4	-31.9	178.6	-58.6	-68.5	143.4	160.4	-15.4	112.9	L718 F720 A782 E783 L786 V794 Q826 R827 A828 G832 R833	L718-R830 HydrophobicContact CD2-CB 4.1Å; L718-R830 HydrophobicContact CD2-CG 4.25Å; F720-R830 HydrophobicContact CZ-CG 4.32Å; A782-R830 WeakPolarHBondContact O-CD 3.24Å; A782-R830 PolarHBondContact O-NE 2.64Å; A782-R830 PolarHBondContact O-NH1 3.01Å; A782-R830 VanDerWaalsContact O-NH1 3.15Å; E783-R830 PolarHBondContact O-NE 2.97Å; E783-R830 VanDerWaalsContact O-NE 3.1Å; E783-R830 PolarHBondContact O-NH2 2.91Å; L786-R830 PolarHBondContact O-NH1 3.44Å; V794-R830 HydrophobicContact CG2-CB 4.17Å; Q826-R830 PolarHBondContact O-N 3.37Å; R827-R830 WeakPolarHBondContact O-CB 3.44Å; R827-R830 WeakPolarHBondContact O-CG 3.48Å; R827-R830 PolarHBondContact O-N 3.3Å; R827-R830 VanDerWaalsContact O-N 3.09Å; A828-R830 PolarHBondContact O-N 3.24Å; R830-G832 VanDerWaalsContact C-N 3.32Å; R830-G832 PolarHBondContact O-N 2.93Å; R830-R833 VanDerWaalsContact NH1-NH2 3.12Å; R830-R833 VanDerWaalsContact NH2-NH2 3.12Å
831	A	86.4	Confident	87.1	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-70.2	-19.9	178.5	0	0	0	0	0	114.7	V684 R792 V794 A828 G829	V684-A831 HydrophobicContact CG1-CB 4.03Å; V684-A831 HydrophobicContact CG2-CB 4.19Å; R792-A831 WeakPolarHBondContact O-CB 3.23Å; V794-A831 HydrophobicContact CB-CB 4.44Å; V794-A831 HydrophobicContact CG2-CB 3.74Å; A828-A831 PolarHBondContact O-N 3.43Å; G829-A831 VanDerWaalsContact C-N 3.34Å; G829-A831 PolarHBondContact O-N 3.05Å
832	G	78.3	Confident	87.3	Confident	3 Å²	3	18.1 Å²	18.1	3%	0.031	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-101.3	24.6	-171.6	0	0	0	0	0	115	F682 V684 G829 R830	F682-G832 PolarHBondContact N-O 3.04Å; F682-G832 VanDerWaalsContact N-O 3.1Å; V684-G832 VanDerWaalsContact CG2-N 3.34Å; G829-G832 PolarHBondContact O-N 2.85Å; R830-G832 VanDerWaalsContact C-N 3.32Å; R830-G832 PolarHBondContact O-N 2.93Å
833	R	75.7	Confident	87.6	Confident	33 Å²	33	17.5 Å²	17.5	13%	0.125	10%	0.1	C	C	.	.	S	Bend	trans	-95.5	-50.5	-169.7	-72.8	178.4	163.9	-166.9	-11.9	113.8	T530 F682 L786 T787 R830	T530-R833 VanDerWaalsContact CB-NH2 3.27Å; T530-R833 PolarHBondContact OG1-NE 3.2Å; T530-R833 PolarHBondContact OG1-NH2 2.97Å; F682-R833 WeakPolarHBondContact CD2-O 3.43Å; L786-R833 PolarHBondContact O-NH1 3.25Å; T787-R833 VanDerWaalsContact CG2-NH1 3.33Å; R830-R833 VanDerWaalsContact NH1-NH2 3.12Å; R830-R833 VanDerWaalsContact NH2-NH2 3.12Å
834	T	74.6	Confident	87.9	Confident	57 Å²	57	17.3 Å²	17.3	35%	0.35	10%	0.099	S	C	.	.	S	Bend	trans	-101.8	-16.2	-177.6	48	0	0	0	0	113.4	F682 D789	F682-T834 WeakPolarHBondContact CE2-O 3.35Å; D789-T834 HydrophobicContact CB-CG2 4.37Å
835	G	80.4	Confident	88.1	Confident	10 Å²	10	21.5 Å²	21.5	10%	0.103	12%	0.121	C	C	.	.	S	Bend	trans	-170	179	175.8	0	0	0	0	0	111.1	F682	F682-G835 WeakPolarHBondContact CB-O 2.95Å; F682-G835 VanDerWaalsContact CD2-CA 3.45Å; F682-G835 VanDerWaalsContact CD2-N 3.27Å; F682-G835 VanDerWaalsContact CG-CA 3.48Å
836	P	86.9	Confident	88.3	Confident	67 Å²	67	22.2 Å²	22.2	44%	0.435	13%	0.129	S	C	.	.			trans	-64.1	141.9	170.1	28.8	-34.9	0	0	0	110	P683 R792	P683-P836 HydrophobicContact CG-CB 4.27Å; R792-P836 WeakPolarHBondContact CG-O 3.41Å; R792-P836 PolarHBondContact NE-O 3.11Å
837	G	89.1	Confident	88.6	Confident	5 Å²	5	21.8 Å²	21.8	5%	0.052	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	177.4	-173.6	0	0	0	0	0	115.2	P683 V684 D685 R792	P683-G837 PolarHBondContact O-N 2.87Å; V684-G837 VanDerWaalsContact CA-O 3.29Å; V684-G837 WeakPolarHBondContact CA-O 3.34Å; D685-G837 PolarHBondContact N-O 3.32Å; R792-G837 CarbonylContact O-C 3.57Å; R792-G837 WeakPolarHBondContact O-CA 3.44Å
838	V	93	Very high	88.7	Confident	28 Å²	28	23.1 Å²	23.1	17%	0.17	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	137.8	-172.3	-172.7	0	0	0	0	110.3	D685 R792 Y793 V794 Y840	D685-V838 HydrophobicContact CB-CG2 4.47Å; R792-V838 PolarHBondContact O-N 3.42Å; Y793-V838 CarbonylContact C-O 3.58Å; Y793-V838 WeakPolarHBondContact CA-O 3.22Å; Y793-V838 HydrophobicContact CD1-CB 4.21Å; Y793-V838 HydrophobicContact CE1-CG2 4.34Å; V794-V838 PolarHBondContact N-O 3.05Å; V838-Y840 HydrophobicContact CB-CE2 4.27Å; V838-Y840 HydrophobicContact CG1-CD2 4.39Å; V838-Y840 HydrophobicContact CG1-CE1 4.01Å; V838-Y840 HydrophobicContact CG1-CE2 3.86Å
839	C	94.5	Very high	88.9	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	117	174.2	-180	0	0	0	0	110.7	V684 D685 E687 V794 A828	V684-C839 HydrophobicContact CG1-CB 4.05Å; D685-C839 PolarHBondContact O-N 3.11Å; E687-C839 PolarHBondContact N-O 2.64Å; V794-C839 HydrophobicContact CB-CB 4.27Å; V794-C839 CarbonylContact O-C 3.56Å; V794-C839 WeakPolarHBondContact O-CA 3.45Å; A828-C839 HydrophobicContact CB-CB 3.81Å; A828-C839 VanDerWaalsContact CB-SG 3.6Å
840	Y	95.8	Very high	89.1	Confident	45 Å²	45	32.3 Å²	32.3	18%	0.176	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	113.2	175.3	-59.6	-78.3	0	0	0	110.1	E687 Q703 V707 Y793 V794 I795 D796 V838	E687-Y840 HydrophobicContact CB-CD1 3.78Å; E687-Y840 HydrophobicContact CB-CE1 4.19Å; E687-Y840 HydrophobicContact CG-CD1 4.26Å; E687-Y840 HydrophobicContact CG-CE1 4.15Å; Q703-Y840 HydrophobicContact CG-CD2 4.32Å; Q703-Y840 HydrophobicContact CG-CG 4.03Å; Q703-Y840 VanDerWaalsContact NE2-CD1 3.31Å; V707-Y840 HydrophobicContact CG2-CD2 3.92Å; V707-Y840 HydrophobicContact CG2-CE2 3.34Å; Y793-Y840 HydrophobicContact CD1-CE2 4.24Å; V794-Y840 PolarHBondContact O-N 2.65Å; I795-Y840 WeakPolarHBondContact CA-O 3.45Å; I795-Y840 HydrophobicContact CG1-CD2 4.34Å; D796-Y840 PolarHBondContact N-O 3.24Å; V838-Y840 HydrophobicContact CB-CE2 4.27Å; V838-Y840 HydrophobicContact CG1-CD2 4.39Å; V838-Y840 HydrophobicContact CG1-CE1 4.01Å; V838-Y840 HydrophobicContact CG1-CE2 3.86Å
841	R	95.6	Very high	89.4	Confident	4 Å²	4	33.6 Å²	33.6	2%	0.015	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	117.5	178.5	-68.9	175.5	163	-170.7	-3.4	110	E687 F688 S689 A824 N825 Y843	E687-R841 WeakPolarHBondContact O-CB 3.35Å; E687-R841 PolarHBondContact O-N 3.12Å; F688-R841 HydrophobicContact CD1-CB 4.08Å; F688-R841 HydrophobicContact CG-CB 4.46Å; F688-R841 VanDerWaalsContact CZ-NH1 3.26Å; S689-R841 PolarHBondContact N-O 3.09Å; A824-R841 PolarHBondContact O-NH2 2.87Å; N825-R841 PolarHBondContact OD1-NH2 2.82Å; R841-Y843 HydrophobicContact CB-CD1 4.35Å; R841-Y843 HydrophobicContact CB-CD2 4.32Å; R841-Y843 HydrophobicContact CB-CE1 3.87Å; R841-Y843 HydrophobicContact CB-CE2 3.84Å; R841-Y843 VanDerWaalsContact CD-OH 3.24Å; R841-Y843 WeakPolarHBondContact CD-OH 3.38Å; R841-Y843 HydrophobicContact CG-CE1 4.19Å; R841-Y843 HydrophobicContact CG-CE2 4.16Å; R841-Y843 WeakPolarHBondContact CG-OH 3.42Å; R841-Y843 PolarHBondContact NE-OH 3.09Å; R841-Y843 PolarHBondContact O-N 3.04Å
842	L	94.4	Very high	89.6	Confident	14 Å²	14	33.7 Å²	33.7	7%	0.073	18%	0.183	C	C	.	.	S	Bend	trans	-80.2	24.3	-174.5	-56.3	-178.6	0	0	0	113.9	V693 A699 S700 Q703 I795 D796	V693-L842 WeakPolarHBondContact CB-O 3.42Å; V693-L842 WeakPolarHBondContact CG2-O 3.25Å; A699-L842 HydrophobicContact CB-CD1 4.13Å; S700-L842 WeakPolarHBondContact OG-CD1 3.34Å; Q703-L842 HydrophobicContact CB-CD2 4.31Å; Q703-L842 HydrophobicContact CG-CD2 4.46Å; I795-L842 HydrophobicContact CG2-CD1 3.88Å; I795-L842 HydrophobicContact CG2-CD2 4.36Å; I795-L842 HydrophobicContact CG2-CG 4.17Å; D796-L842 PolarHBondContact O-N 3.11Å
843	Y	94.4	Very high	90.2	Very high	3 Å²	3	35.9 Å²	35.9	1%	0.012	19%	0.194	C	C	.	.	S	Bend	trans	-138.6	157.4	-179.3	49.3	-95.6	0	0	0	109.3	M416 F688 S689 A824 R841 Y848 M852	M416-Y843 HydrophobicContact CE-CD1 4.5Å; M416-Y843 HydrophobicContact CE-CG 4.47Å; F688-Y843 HydrophobicContact CD1-CD2 4.41Å; F688-Y843 HydrophobicContact CD1-CE2 4.27Å; F688-Y843 HydrophobicContact CE1-CE2 4.14Å; S689-Y843 PolarHBondContact N-O 3.37Å; A824-Y843 WeakPolarHBondContact CB-OH 3.11Å; R841-Y843 HydrophobicContact CB-CD1 4.35Å; R841-Y843 HydrophobicContact CB-CD2 4.32Å; R841-Y843 HydrophobicContact CB-CE1 3.87Å; R841-Y843 HydrophobicContact CB-CE2 3.84Å; R841-Y843 VanDerWaalsContact CD-OH 3.24Å; R841-Y843 WeakPolarHBondContact CD-OH 3.38Å; R841-Y843 HydrophobicContact CG-CE1 4.19Å; R841-Y843 HydrophobicContact CG-CE2 4.16Å; R841-Y843 WeakPolarHBondContact CG-OH 3.42Å; R841-Y843 PolarHBondContact NE-OH 3.09Å; R841-Y843 PolarHBondContact O-N 3.04Å; Y843-Y848 AromaticContact CE2-CD2 3.89Å; Y843-Y848 HydrophobicContact CE2-CD2 3.89Å; Y843-Y848 HydrophobicContact CE2-CG 4.29Å; Y843-M852 HydrophobicContact CD1-CE 3.84Å; Y843-M852 HydrophobicContact CD2-CE 3.45Å; Y843-M852 VanDerWaalsContact CD2-CE 3.45Å; Y843-M852 HydrophobicContact CE1-CE 3.86Å; Y843-M852 HydrophobicContact CE2-CE 3.45Å; Y843-M852 VanDerWaalsContact CE2-CE 3.45Å; Y843-M852 HydrophobicContact CE2-SD 4.17Å; Y843-M852 HydrophobicContact CG-CE 3.63Å
844	T	94.4	Very high	90.7	Very high	22 Å²	22	40.3 Å²	40.3	14%	0.135	22%	0.219	C	C	.	.			trans	-77.3	164.2	-175.4	76.3	0	0	0	0	112.5	S689 T692 S846 Q847 Y848	S689-T844 WeakPolarHBondContact O-CA 3.48Å; T692-T844 HydrophobicContact CG2-CG2 4.08Å; T844-S846 VanDerWaalsContact C-N 3.28Å; T844-S846 PolarHBondContact O-N 2.75Å; T844-Q847 PolarHBondContact O-N 2.99Å; T844-Q847 WeakPolarHBondContact OG1-CG 3.46Å; T844-Q847 PolarHBondContact OG1-N 2.82Å; T844-Q847 VanDerWaalsContact OG1-N 3.11Å; T844-Y848 PolarHBondContact O-N 3.49Å
845	I	93.5	Very high	91.3	Very high	88 Å²	88	39.3 Å²	39.3	45%	0.451	21%	0.213	S	C	.	.	H	α-helix	trans	-61.2	-38.1	174.7	-61.7	171.2	0	0	0	111.2	F688 Y848 Q849	F688-I845 HydrophobicContact CB-CD1 4.46Å; F688-I845 HydrophobicContact CB-CG1 3.75Å; F688-I845 HydrophobicContact CD1-CG1 3.83Å; F688-I845 HydrophobicContact CD2-CD1 4.24Å; F688-I845 HydrophobicContact CD2-CG1 3.75Å; F688-I845 HydrophobicContact CE1-CG1 4.25Å; F688-I845 HydrophobicContact CE2-CG1 4.18Å; F688-I845 HydrophobicContact CG-CD1 4.4Å; F688-I845 HydrophobicContact CG-CG1 3.53Å; F688-I845 HydrophobicContact CZ-CG1 4.39Å; I845-Y848 WeakPolarHBondContact O-CB 3.33Å; I845-Y848 PolarHBondContact O-N 3.2Å; I845-Q849 WeakPolarHBondContact O-CG 3.06Å; I845-Q849 PolarHBondContact O-N 3.33Å
846	S	92.3	Very high	91.5	Very high	62 Å²	62	40.7 Å²	40.7	43%	0.434	22%	0.221	S	C	.	.	H	α-helix	trans	-66.1	-43.8	174.8	170.5	0	0	0	0	111.2	T844 Y848 Q849 D850	T844-S846 VanDerWaalsContact C-N 3.28Å; T844-S846 PolarHBondContact O-N 2.75Å; S846-Y848 VanDerWaalsContact C-N 3.26Å; S846-Y848 PolarHBondContact O-N 3Å; S846-Q849 PolarHBondContact O-N 3.05Å; S846-Q849 VanDerWaalsContact O-N 3.1Å; S846-D850 WeakPolarHBondContact CB-OD2 3.35Å; S846-D850 WeakPolarHBondContact O-CA 3.43Å; S846-D850 VanDerWaalsContact O-CB 3.24Å; S846-D850 WeakPolarHBondContact O-CB 3.42Å; S846-D850 PolarHBondContact O-N 2.86Å; S846-D850 PolarHBondContact OG-OD2 2.71Å
847	Q	92.8	Very high	91.5	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.019	21%	0.206	C	C	.	.	I	π-helix	trans	-57	-40.8	173.8	-72.8	-179.9	-62.3	0	0	112.3	M416 T692 T844 E851 M852	M416-Q847 HydrophobicContact CG-CB 4.42Å; M416-Q847 HydrophobicContact CG-CG 4.32Å; M416-Q847 VanDerWaalsContact CG-NE2 3.33Å; M416-Q847 HydrophobicContact SD-CB 3.9Å; M416-Q847 HydrophobicContact SD-CG 4.43Å; T692-Q847 HydrophobicContact CG2-CG 4.46Å; T844-Q847 PolarHBondContact O-N 2.99Å; T844-Q847 WeakPolarHBondContact OG1-CG 3.46Å; T844-Q847 PolarHBondContact OG1-N 2.82Å; T844-Q847 VanDerWaalsContact OG1-N 3.11Å; Q847-E851 WeakPolarHBondContact O-CB 3.48Å; Q847-E851 PolarHBondContact O-N 2.95Å; Q847-E851 VanDerWaalsContact O-N 3.09Å; Q847-M852 PolarHBondContact O-N 3.13Å; Q847-M852 VanDerWaalsContact O-N 3.11Å
848	Y	92.5	Very high	91.4	Very high	29 Å²	29	38.7 Å²	38.7	11%	0.114	21%	0.206	C	C	.	.	I	π-helix	trans	-64.9	-36.7	176.3	175.8	-97.9	0	0	0	113.9	F688 Q821 A824 N825 Y843 T844 I845 S846 M852	F688-Y848 HydrophobicContact CE1-CD1 4.23Å; F688-Y848 HydrophobicContact CE1-CD2 4.36Å; F688-Y848 AromaticContact CE1-CG 3.89Å; F688-Y848 HydrophobicContact CE1-CG 3.89Å; F688-Y848 HydrophobicContact CZ-CD1 4.37Å; F688-Y848 HydrophobicContact CZ-CG 4.43Å; Q821-Y848 HydrophobicContact CB-CE2 3.78Å; Q821-Y848 HydrophobicContact CG-CD2 4.09Å; Q821-Y848 HydrophobicContact CG-CE1 4.26Å; Q821-Y848 HydrophobicContact CG-CE2 3.7Å; Q821-Y848 WeakPolarHBondContact CG-O 3.42Å; Q821-Y848 PolarHBondContact NE2-O 2.98Å; A824-Y848 HydrophobicContact CB-CE2 4.19Å; N825-Y848 PolarHBondContact ND2-OH 2.93Å; Y843-Y848 AromaticContact CE2-CD2 3.89Å; Y843-Y848 HydrophobicContact CE2-CD2 3.89Å; Y843-Y848 HydrophobicContact CE2-CG 4.29Å; T844-Y848 PolarHBondContact O-N 3.49Å; I845-Y848 WeakPolarHBondContact O-CB 3.33Å; I845-Y848 PolarHBondContact O-N 3.2Å; S846-Y848 VanDerWaalsContact C-N 3.26Å; S846-Y848 PolarHBondContact O-N 3Å; Y848-M852 HydrophobicContact CD2-SD 3.8Å
849	Q	91.7	Very high	91	Very high	110 Å²	110	40.5 Å²	40.5	51%	0.514	21%	0.213	S	C	.	.	I	π-helix	trans	-87.3	-42.3	-178.3	-68.1	176.7	-12.4	0	0	112.6	K410 I845 S846	K410-Q849 PolarHBondContact NZ-O 2.88Å; I845-Q849 WeakPolarHBondContact O-CG 3.06Å; I845-Q849 PolarHBondContact O-N 3.33Å; S846-Q849 PolarHBondContact O-N 3.05Å; S846-Q849 VanDerWaalsContact O-N 3.1Å
850	D	90	Very high	90.6	Very high	91 Å²	91	40.5 Å²	40.5	49%	0.487	21%	0.213	S	C	.	.	I	π-helix	trans	-97.6	-39.6	-166.7	-57	-45.7	0	0	0	112.9	K410 S846	K410-D850 VanDerWaalsContact CD-O 3.29Å; K410-D850 WeakPolarHBondContact CD-O 3.3Å; K410-D850 VanDerWaalsContact CE-O 3.26Å; K410-D850 WeakPolarHBondContact CE-O 3.49Å; K410-D850 PolarHBondContact NZ-O 3.2Å; S846-D850 WeakPolarHBondContact CB-OD2 3.35Å; S846-D850 WeakPolarHBondContact O-CA 3.43Å; S846-D850 VanDerWaalsContact O-CB 3.24Å; S846-D850 WeakPolarHBondContact O-CB 3.42Å; S846-D850 PolarHBondContact O-N 2.86Å; S846-D850 PolarHBondContact OG-OD2 2.71Å
851	E	90.9	Very high	90.1	Very high	31 Å²	31	38.9 Å²	38.9	15%	0.145	21%	0.207	C	C	.	.	I	π-helix	trans	-94.2	-34.8	-176.1	-59.4	-174.1	-150.6	0	0	112.9	K410 S414 I415 M416 Q847	K410-E851 WeakPolarHBondContact CB-O 3.37Å; S414-E851 WeakPolarHBondContact CB-OE2 3.43Å; I415-E851 PolarHBondContact N-OE2 2.82Å; I415-E851 VanDerWaalsContact N-OE2 3.14Å; M416-E851 WeakPolarHBondContact CB-OE2 3.47Å; M416-E851 VanDerWaalsContact CG-OE2 3.31Å; M416-E851 WeakPolarHBondContact CG-OE2 3.44Å; M416-E851 PolarHBondContact N-OE2 3.42Å; Q847-E851 WeakPolarHBondContact O-CB 3.48Å; Q847-E851 PolarHBondContact O-N 2.95Å; Q847-E851 VanDerWaalsContact O-N 3.09Å
852	M	90.8	Very high	89.6	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.01	21%	0.21	C	C	.	.	S	Bend	trans	-77.9	145.8	179.6	-62.9	-178	-174.1	0	0	113.5	M416 Q821 Y843 Q847 Y848	M416-M852 HydrophobicContact CE-CE 3.72Å; M416-M852 HydrophobicContact SD-CE 3.63Å; M416-M852 HydrophobicContact SD-CG 4.42Å; Q821-M852 HydrophobicContact CG-CB 4.08Å; Y843-M852 HydrophobicContact CD1-CE 3.84Å; Y843-M852 HydrophobicContact CD2-CE 3.45Å; Y843-M852 VanDerWaalsContact CD2-CE 3.45Å; Y843-M852 HydrophobicContact CE1-CE 3.86Å; Y843-M852 HydrophobicContact CE2-CE 3.45Å; Y843-M852 VanDerWaalsContact CE2-CE 3.45Å; Y843-M852 HydrophobicContact CE2-SD 4.17Å; Y843-M852 HydrophobicContact CG-CE 3.63Å; Q847-M852 PolarHBondContact O-N 3.13Å; Q847-M852 VanDerWaalsContact O-N 3.11Å; Y848-M852 HydrophobicContact CD2-SD 3.8Å
853	L	90	Very high	89.1	Confident	49 Å²	49	39.5 Å²	39.5	26%	0.257	21%	0.209	S	C	.	.			trans	-71.7	149.8	166.9	-65.7	171.4	0	0	0	110.5	K410 S820 Q821 T855 V857	K410-L853 HydrophobicContact CB-CD2 3.78Å; K410-L853 HydrophobicContact CB-CG 4.33Å; K410-L853 HydrophobicContact CG-CD2 4.27Å; S820-L853 CarbonylContact C-O 3.57Å; S820-L853 WeakPolarHBondContact CA-O 3.38Å; S820-L853 VanDerWaalsContact CB-O 3.3Å; S820-L853 WeakPolarHBondContact CB-O 3.43Å; Q821-L853 PolarHBondContact N-O 3.33Å; L853-T855 WeakPolarHBondContact CB-O 3.1Å; L853-V857 HydrophobicContact CD1-CG2 3.95Å
854	I	88	Confident	88.6	Confident	126 Å²	126	41.4 Å²	41.4	65%	0.646	22%	0.219	S	C	*	.	S	Bend	trans	-67.8	-46.6	178.7	-59.6	172.9	0	0	0	110.4	A822	A822-I854 WeakPolarHBondContact CB-O 3.31Å; A822-I854 PolarHBondContact N-O 2.83Å
855	T	85.4	Confident	88.1	Confident	36 Å²	36	40.5 Å²	40.5	22%	0.221	21%	0.214	C	C	.	.	S	Bend	trans	-123.3	157.3	175.9	53.6	0	0	0	0	110.3	D661 L853	D661-T855 HydrophobicContact CB-CG2 4.32Å; L853-T855 WeakPolarHBondContact CB-O 3.1Å
856	S	85.8	Confident	87.8	Confident	39 Å²	39	36.5 Å²	36.5	27%	0.273	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-71.1	144.2	175	42.6	0	0	0	0	111.4	S820 P858	S820-S856 PolarHBondContact OG-N 2.93Å; S856-P858 WeakPolarHBondContact O-CD 3.35Å
857	V	87.4	Confident	87.5	Confident	20 Å²	20	37.5 Å²	37.5	12%	0.121	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-68.2	123.8	173.2	-179.6	0	0	0	0	109.2	I406 P408 L853 Q861 R862	I406-V857 HydrophobicContact CG2-CG1 3.95Å; I406-V857 HydrophobicContact CG2-CG2 4.25Å; P408-V857 HydrophobicContact CB-CB 4.37Å; P408-V857 HydrophobicContact CB-CG2 4.12Å; L853-V857 HydrophobicContact CD1-CG2 3.95Å; V857-Q861 HydrophobicContact CG1-CB 4.13Å; V857-R862 HydrophobicContact CG1-CG 3.88Å; V857-R862 PolarHBondContact O-NE 3.41Å; V857-R862 PolarHBondContact O-NH2 3.14Å
858	P	86.7	Confident	87.2	Confident	9 Å²	9	37.8 Å²	37.8	6%	0.058	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-53.3	151.7	179.7	-29.4	37.4	0	0	0	113.8	R630 S856 I860 Q861 D887	R630-P858 HydrophobicContact CB-CB 4.1Å; R630-P858 HydrophobicContact CB-CG 4.32Å; S856-P858 WeakPolarHBondContact O-CD 3.35Å; P858-I860 VanDerWaalsContact C-N 3.31Å; P858-I860 HydrophobicContact CB-CG2 4.05Å; P858-I860 PolarHBondContact O-N 3.31Å; P858-Q861 PolarHBondContact O-N 3.13Å; P858-D887 HydrophobicContact CG-CB 4.11Å
859	E	84.3	Confident	87	Confident	66 Å²	66	36.6 Å²	36.6	31%	0.308	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-64.7	-35.4	-178.7	-172.7	177.6	-162.3	0	0	112.5	R630 S631 L632 Q861 R862 T863	R630-E859 PolarHBondContact O-N 2.95Å; R630-E859 VanDerWaalsContact O-N 3.1Å; S631-E859 WeakPolarHBondContact CA-OE2 3.27Å; L632-E859 HydrophobicContact CB-CB 4.42Å; L632-E859 HydrophobicContact CB-CG 4.12Å; L632-E859 PolarHBondContact N-OE2 3.04Å; E859-Q861 PolarHBondContact O-N 3.23Å; E859-Q861 VanDerWaalsContact O-N 3.13Å; E859-R862 PolarHBondContact O-N 3.01Å; E859-T863 HydrophobicContact CG-CG2 3.57Å; E859-T863 PolarHBondContact O-N 2.95Å; E859-T863 PolarHBondContact O-OG1 3.25Å
860	I	85.6	Confident	86.8	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-58.3	-26	178.9	-164.8	168.1	0	0	0	113.6	L632 D635 P858 L865 F885 P889	L632-I860 HydrophobicContact CD1-CB 3.85Å; L632-I860 HydrophobicContact CD1-CD1 4.5Å; L632-I860 HydrophobicContact CD1-CG1 3.81Å; D635-I860 HydrophobicContact CB-CD1 4.33Å; D635-I860 HydrophobicContact CB-CG2 4.35Å; D635-I860 WeakPolarHBondContact OD2-CG2 3.29Å; P858-I860 VanDerWaalsContact C-N 3.31Å; P858-I860 HydrophobicContact CB-CG2 4.05Å; P858-I860 PolarHBondContact O-N 3.31Å; I860-L865 HydrophobicContact CG1-CD2 3.9Å; I860-F885 HydrophobicContact CD1-CD1 3.57Å; I860-F885 HydrophobicContact CD1-CE1 3.62Å; I860-P889 HydrophobicContact CD1-CG 4.27Å; I860-P889 HydrophobicContact CG1-CB 4.23Å; I860-P889 HydrophobicContact CG1-CG 4.08Å
861	Q	86	Confident	86.6	Confident	12 Å²	12	28.2 Å²	28.2	6%	0.056	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-85.9	-11	178.2	-61.6	-169.2	-43.6	0	0	113.5	Q402 I406 V857 P858 E859 A888	Q402-Q861 VanDerWaalsContact OE1-NE2 3.16Å; I406-Q861 HydrophobicContact CD1-CB 4.3Å; I406-Q861 HydrophobicContact CD1-CG 4.38Å; V857-Q861 HydrophobicContact CG1-CB 4.13Å; P858-Q861 PolarHBondContact O-N 3.13Å; E859-Q861 PolarHBondContact O-N 3.23Å; E859-Q861 VanDerWaalsContact O-N 3.13Å; Q861-A888 PolarHBondContact NE2-O 3.27Å
862	R	85.1	Confident	86.3	Confident	23 Å²	23	26.8 Å²	26.8	9%	0.087	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	2.3	-168.8	-65.2	-174.8	-69.5	100.4	-1.9	114.8	K803 V804 F805 V857 E859	K803-R862 PolarHBondContact O-NH1 2.68Å; V804-R862 CarbonylContact C-O 3.56Å; V804-R862 WeakPolarHBondContact CA-O 3.47Å; F805-R862 WeakPolarHBondContact CB-O 3.21Å; F805-R862 PolarHBondContact N-O 2.99Å; V857-R862 HydrophobicContact CG1-CG 3.88Å; V857-R862 PolarHBondContact O-NE 3.41Å; V857-R862 PolarHBondContact O-NH2 3.14Å; E859-R862 PolarHBondContact O-N 3.01Å
863	T	83.5	Confident	86.1	Confident	7 Å²	7	27.9 Å²	27.9	4%	0.043	15%	0.149	C	C	.	.	S	Bend	trans	-123.3	164	-176.6	50.8	0	0	0	0	112.2	E859	E859-T863 HydrophobicContact CG-CG2 3.57Å; E859-T863 PolarHBondContact O-N 2.95Å; E859-T863 PolarHBondContact O-OG1 3.25Å
864	N	83	Confident	85.9	Confident	43 Å²	43	27.4 Å²	27.4	23%	0.23	15%	0.149	C	C	.	.			trans	-64.8	138.1	167.6	-171.7	-3.2	0	0	0	110	F805 A866 S897 Q900	F805-N864 HydrophobicContact CD1-CB 4.38Å; F805-N864 HydrophobicContact CD2-CB 3.99Å; F805-N864 HydrophobicContact CE1-CB 4.29Å; F805-N864 HydrophobicContact CE2-CB 3.89Å; F805-N864 HydrophobicContact CG-CB 4.23Å; F805-N864 HydrophobicContact CZ-CB 4.04Å; N864-A866 PolarHBondContact OD1-N 2.98Å; N864-A866 VanDerWaalsContact OD1-N 3.12Å; N864-S897 PolarHBondContact OD1-OG 3.49Å; N864-Q900 PolarHBondContact ND2-OE1 3.25Å
865	L	85.8	Confident	85.5	Confident	4 Å²	4	23.7 Å²	23.7	2%	0.021	13%	0.131	C	C	.	.			trans	-109.6	2.8	-174.7	-56.1	173	0	0	0	113.3	L632 I860 N867 V868 V869 P889 N893 I894 S897	L632-L865 HydrophobicContact CD1-CD2 3.67Å; I860-L865 HydrophobicContact CG1-CD2 3.9Å; L865-N867 VanDerWaalsContact C-N 3.32Å; L865-N867 PolarHBondContact O-N 3.2Å; L865-V868 CarbonylContact O-C 3.53Å; L865-V868 PolarHBondContact O-N 3.32Å; L865-V869 HydrophobicContact CB-CG2 4.15Å; L865-V869 WeakPolarHBondContact O-CG2 3.19Å; L865-V869 PolarHBondContact O-N 3.47Å; L865-P889 HydrophobicContact CD1-CB 3.37Å; L865-P889 HydrophobicContact CD1-CG 3.72Å; L865-N893 HydrophobicContact CD1-CB 4.03Å; L865-I894 HydrophobicContact CD1-CG1 4.33Å; L865-S897 WeakPolarHBondContact CB-OG 3.41Å; L865-S897 PolarHBondContact N-OG 3.45Å
866	A	86.5	Confident	85.1	Confident	3 Å²	3	24.5 Å²	24.5	3%	0.025	15%	0.146	C	C	.	.	H	α-helix	trans	-48.1	-48.8	-176.7	0	0	0	0	0	113.6	N864 V869 L870 S897 L901 P927	N864-A866 PolarHBondContact OD1-N 2.98Å; N864-A866 VanDerWaalsContact OD1-N 3.12Å; A866-V869 PolarHBondContact O-N 2.98Å; A866-L870 WeakPolarHBondContact O-CB 3.29Å; A866-L870 PolarHBondContact O-N 3.29Å; A866-S897 PolarHBondContact N-OG 3.07Å; A866-L901 WeakPolarHBondContact O-CD1 3.36Å; A866-P927 HydrophobicContact CB-CG 4.47Å
867	N	85.6	Confident	84.7	Confident	84 Å²	84	23.6 Å²	23.6	45%	0.449	14%	0.139	S	C	.	.	H	α-helix	trans	-65.7	-41.6	177.2	-169.5	16	0	0	0	112.8	L865 L870 L871	L865-N867 VanDerWaalsContact C-N 3.32Å; L865-N867 PolarHBondContact O-N 3.2Å; N867-L870 WeakPolarHBondContact O-CB 3.47Å; N867-L870 PolarHBondContact O-N 3.12Å; N867-L871 VanDerWaalsContact O-CB 3.3Å; N867-L871 WeakPolarHBondContact O-CB 3.46Å; N867-L871 PolarHBondContact O-N 3.16Å
868	V	86.1	Confident	84.1	Confident	9 Å²	9	30 Å²	30	6%	0.055	17%	0.167	C	C	.	.	H	α-helix	trans	-67	-38.2	178.2	169.4	0	0	0	0	112.1	L632 V636 L865 L871 L872	L632-V868 HydrophobicContact CD1-CG2 3.95Å; L632-V868 HydrophobicContact CD2-CG2 3.74Å; L632-V868 HydrophobicContact CG-CG2 3.74Å; V636-V868 HydrophobicContact CG2-CB 4.49Å; V636-V868 HydrophobicContact CG2-CG1 3.45Å; V636-V868 VanDerWaalsContact CG2-CG1 3.45Å; V636-V868 HydrophobicContact CG2-CG2 4.19Å; L865-V868 CarbonylContact O-C 3.53Å; L865-V868 PolarHBondContact O-N 3.32Å; V868-L871 WeakPolarHBondContact O-CB 3.31Å; V868-L871 PolarHBondContact O-N 3.07Å; V868-L872 HydrophobicContact CG1-CD1 3.85Å; V868-L872 HydrophobicContact CG1-CG 4.3Å; V868-L872 WeakPolarHBondContact O-CB 3.41Å; V868-L872 VanDerWaalsContact O-CG 3.29Å; V868-L872 WeakPolarHBondContact O-CG 3.29Å; V868-L872 PolarHBondContact O-N 2.8Å
869	V	88.5	Confident	83.5	Confident	5 Å²	5	32.6 Å²	32.6	3%	0.03	18%	0.181	C	C	.	.	H	α-helix	trans	-64.4	-45	175.4	169.5	0	0	0	0	110.5	L865 A866 L871 L872 K873 L880 M898 L901	L865-V869 HydrophobicContact CB-CG2 4.15Å; L865-V869 WeakPolarHBondContact O-CG2 3.19Å; L865-V869 PolarHBondContact O-N 3.47Å; A866-V869 PolarHBondContact O-N 2.98Å; V869-L871 VanDerWaalsContact C-N 3.33Å; V869-L871 PolarHBondContact O-N 3Å; V869-L872 PolarHBondContact O-N 3.35Å; V869-K873 HydrophobicContact CG1-CG 4.5Å; V869-K873 WeakPolarHBondContact O-CB 3.46Å; V869-K873 WeakPolarHBondContact O-CG 3.39Å; V869-K873 PolarHBondContact O-N 2.89Å; V869-L880 HydrophobicContact CB-CD1 4.33Å; V869-L880 HydrophobicContact CG1-CD1 3.68Å; V869-L880 HydrophobicContact CG2-CD1 4.02Å; V869-M898 HydrophobicContact CG1-CG 4.19Å; V869-M898 HydrophobicContact CG1-SD 3.55Å; V869-M898 VanDerWaalsContact CG1-SD 3.55Å; V869-L901 HydrophobicContact CB-CD1 3.79Å; V869-L901 HydrophobicContact CG1-CD1 3.41Å; V869-L901 VanDerWaalsContact CG1-CD1 3.41Å
870	L	88.4	Confident	83.2	Confident	3 Å²	3	29.7 Å²	29.7	2%	0.016	17%	0.167	C	C	.	.	H	α-helix	trans	-58.7	-46.8	176.5	-178	61.9	0	0	0	111.1	A866 N867 K873 S874 L901 A906 L913 M920 V921 P927	A866-L870 WeakPolarHBondContact O-CB 3.29Å; A866-L870 PolarHBondContact O-N 3.29Å; N867-L870 WeakPolarHBondContact O-CB 3.47Å; N867-L870 PolarHBondContact O-N 3.12Å; L870-K873 PolarHBondContact O-N 3.23Å; L870-S874 PolarHBondContact O-N 3.23Å; L870-L901 HydrophobicContact CB-CD1 4.04Å; L870-L901 HydrophobicContact CB-CD2 4Å; L870-L901 HydrophobicContact CD1-CD2 4.28Å; L870-L901 HydrophobicContact CD2-CD2 4.38Å; L870-L901 HydrophobicContact CG-CD2 4.45Å; L870-A906 HydrophobicContact CD1-CB 4.05Å; L870-L913 HydrophobicContact CD1-CD1 3.54Å; L870-M920 HydrophobicContact CD2-CB 4.02Å; L870-V921 HydrophobicContact CD1-CG2 4.04Å; L870-V921 HydrophobicContact CD2-CG2 4.17Å; L870-V921 HydrophobicContact CG-CG2 3.67Å; L870-P927 HydrophobicContact CD2-CB 4.43Å; L870-P927 HydrophobicContact CD2-CG 3.96Å
871	L	84.8	Confident	82.6	Confident	21 Å²	21	32.6 Å²	32.6	11%	0.11	18%	0.182	C	C	.	.	H	α-helix	trans	-60.2	-52.7	176.6	-172.1	84.1	0	0	0	112.9	L607 L611 V636 N867 V868 V869 K873 S874 L875	L607-L871 HydrophobicContact CD1-CD2 3.78Å; L607-L871 HydrophobicContact CD2-CD2 3.59Å; L607-L871 HydrophobicContact CG-CD2 3.65Å; L611-L871 HydrophobicContact CD1-CD1 3.56Å; L611-L871 HydrophobicContact CD2-CD1 3.44Å; L611-L871 VanDerWaalsContact CD2-CD1 3.44Å; L611-L871 HydrophobicContact CD2-CG 4.1Å; L611-L871 HydrophobicContact CG-CD1 3.82Å; V636-L871 HydrophobicContact CG1-CD2 4.3Å; N867-L871 VanDerWaalsContact O-CB 3.3Å; N867-L871 WeakPolarHBondContact O-CB 3.46Å; N867-L871 PolarHBondContact O-N 3.16Å; V868-L871 WeakPolarHBondContact O-CB 3.31Å; V868-L871 PolarHBondContact O-N 3.07Å; V869-L871 VanDerWaalsContact C-N 3.33Å; V869-L871 PolarHBondContact O-N 3Å; L871-K873 VanDerWaalsContact C-N 3.26Å; L871-K873 PolarHBondContact O-N 3.47Å; L871-S874 PolarHBondContact O-N 2.95Å; L871-S874 VanDerWaalsContact O-N 3.08Å; L871-S874 PolarHBondContact O-OG 3.5Å; L871-L875 HydrophobicContact CG-CD1 4.35Å; L871-L875 PolarHBondContact O-N 3.49Å
872	L	85.8	Confident	82.1	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-59.9	-37.4	178.2	-73.6	171.2	0	0	0	111.8	V636 L640 V868 V869 L875 G876 V877 L880 F883 F885	V636-L872 HydrophobicContact CG1-CD2 4.14Å; L640-L872 HydrophobicContact CD2-CD2 4.29Å; V868-L872 HydrophobicContact CG1-CD1 3.85Å; V868-L872 HydrophobicContact CG1-CG 4.3Å; V868-L872 WeakPolarHBondContact O-CB 3.41Å; V868-L872 VanDerWaalsContact O-CG 3.29Å; V868-L872 WeakPolarHBondContact O-CG 3.29Å; V868-L872 PolarHBondContact O-N 2.8Å; V869-L872 PolarHBondContact O-N 3.35Å; L872-L875 PolarHBondContact O-N 3.48Å; L872-G876 PolarHBondContact O-N 3.49Å; L872-V877 HydrophobicContact CB-CB 4.36Å; L872-V877 HydrophobicContact CD2-CG2 4.31Å; L872-V877 VanDerWaalsContact O-CB 3.29Å; L872-V877 WeakPolarHBondContact O-CB 3.49Å; L872-V877 WeakPolarHBondContact O-CG2 3.34Å; L872-V877 PolarHBondContact O-N 2.89Å; L872-L880 HydrophobicContact CB-CD2 3.73Å; L872-L880 HydrophobicContact CD1-CD2 4.09Å; L872-F883 HydrophobicContact CD2-CD2 4.49Å; L872-F883 HydrophobicContact CD2-CE1 4Å; L872-F883 HydrophobicContact CD2-CE2 3.99Å; L872-F883 HydrophobicContact CD2-CZ 3.69Å; L872-F885 HydrophobicContact CD1-CE1 4.07Å; L872-F885 HydrophobicContact CD1-CZ 3.77Å
873	K	86.5	Confident	81.9	Confident	25 Å²	25	41.3 Å²	41.3	11%	0.109	22%	0.215	C	C	.	.	H	α-helix	trans	-66.6	-37.1	174.9	-73	-78.8	-179.7	171.7	0	112.5	V869 L870 L871 G876 Q878 L907 G911 L913	V869-K873 HydrophobicContact CG1-CG 4.5Å; V869-K873 WeakPolarHBondContact O-CB 3.46Å; V869-K873 WeakPolarHBondContact O-CG 3.39Å; V869-K873 PolarHBondContact O-N 2.89Å; L870-K873 PolarHBondContact O-N 3.23Å; L871-K873 VanDerWaalsContact C-N 3.26Å; L871-K873 PolarHBondContact O-N 3.47Å; K873-G876 PolarHBondContact O-N 2.97Å; K873-Q878 PolarHBondContact NZ-O 2.99Å; K873-L907 HydrophobicContact CD-CD2 4.33Å; K873-L907 HydrophobicContact CG-CD2 4.15Å; K873-G911 WeakPolarHBondContact CE-O 3.4Å; K873-G911 PolarHBondContact NZ-O 3.45Å; K873-L913 HydrophobicContact CB-CB 4.46Å; K873-L913 HydrophobicContact CB-CD1 4.42Å
874	S	85	Confident	81.6	Confident	39 Å²	39	45.9 Å²	45.9	27%	0.273	24%	0.235	S	C	.	.	H	α-helix	trans	-68	-32.8	174.2	62.8	0	0	0	0	113.7	L611 L870 L871 G876	L611-S874 WeakPolarHBondContact CD2-OG 3.47Å; L870-S874 PolarHBondContact O-N 3.23Å; L871-S874 PolarHBondContact O-N 2.95Å; L871-S874 VanDerWaalsContact O-N 3.08Å; L871-S874 PolarHBondContact O-OG 3.5Å; S874-G876 PolarHBondContact O-N 3.38Å
875	L	79.8	Confident	81.6	Confident	48 Å²	48	45.3 Å²	45.3	25%	0.251	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-0	173.6	-68.4	164.2	0	0	0	113.5	S610 L611 L640 L871 L872	S610-L875 WeakPolarHBondContact O-CD2 3.37Å; L611-L875 HydrophobicContact CD2-CD1 4.14Å; L611-L875 HydrophobicContact CD2-CD2 3.76Å; L611-L875 HydrophobicContact CD2-CG 3.7Å; L640-L875 HydrophobicContact CD1-CD1 3.53Å; L640-L875 HydrophobicContact CD2-CD1 3.7Å; L640-L875 HydrophobicContact CG-CD1 4.26Å; L871-L875 HydrophobicContact CG-CD1 4.35Å; L871-L875 PolarHBondContact O-N 3.49Å; L872-L875 PolarHBondContact O-N 3.48Å
876	G	76.2	Confident	81.4	Confident	53 Å²	53	46.4 Å²	46.4	55%	0.546	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.6	5.7	177.1	0	0	0	0	0	115.1	L872 K873 S874 Q878	L872-G876 PolarHBondContact O-N 3.49Å; K873-G876 PolarHBondContact O-N 2.97Å; S874-G876 PolarHBondContact O-N 3.38Å; G876-Q878 PolarHBondContact O-N 3.38Å
877	V	79.2	Confident	81.3	Confident	20 Å²	20	47.9 Å²	47.9	12%	0.121	24%	0.244	C	C	.	.			trans	-71.9	93.7	177.5	-174	0	0	0	0	109.9	L872 L880 F883	L872-V877 HydrophobicContact CB-CB 4.36Å; L872-V877 HydrophobicContact CD2-CG2 4.31Å; L872-V877 VanDerWaalsContact O-CB 3.29Å; L872-V877 WeakPolarHBondContact O-CB 3.49Å; L872-V877 WeakPolarHBondContact O-CG2 3.34Å; L872-V877 PolarHBondContact O-N 2.89Å; V877-L880 HydrophobicContact CB-CD2 4.43Å; V877-L880 HydrophobicContact CG1-CD2 4.07Å; V877-F883 HydrophobicContact CB-CD2 4.42Å; V877-F883 HydrophobicContact CG1-CB 4.01Å; V877-F883 HydrophobicContact CG1-CD2 3.63Å; V877-F883 HydrophobicContact CG1-CE2 4.49Å; V877-F883 HydrophobicContact CG1-CG 4.14Å; V877-F883 HydrophobicContact CG2-CD2 3.88Å; V877-F883 HydrophobicContact CG2-CE2 3.93Å
878	Q	73.6	Confident	81.2	Confident	154 Å²	154	46.3 Å²	46.3	72%	0.72	24%	0.243	S	C	*	.			trans	-67.3	-48.4	-176.8	-65.9	-176	-4.8	0	0	112.6	K873 G876	K873-Q878 PolarHBondContact NZ-O 2.99Å; G876-Q878 PolarHBondContact O-N 3.38Å
879	D	74.9	Confident	81.1	Confident	65 Å²	65	46.3 Å²	46.3	35%	0.348	24%	0.243	S	C	.	.			trans	-109.4	95.2	-177.9	-171.7	-10.9	0	0	0	110.7	M881 R882 F883	D879-M881 PolarHBondContact O-N 3.19Å; D879-M881 WeakPolarHBondContact OD1-CB 3.5Å; D879-M881 PolarHBondContact OD1-N 3.23Å; D879-R882 HydrophobicContact CB-CB 4.41Å; D879-R882 HydrophobicContact CB-CG 4.39Å; D879-R882 PolarHBondContact O-N 3.23Å; D879-R882 VanDerWaalsContact OD2-CD 3.23Å; D879-R882 WeakPolarHBondContact OD2-CD 3.23Å; D879-R882 WeakPolarHBondContact OD2-CG 3.42Å; D879-R882 IonicContact OD2-CZ 3.1Å; D879-R882 IonicContact OD2-NE 3.27Å; D879-R882 PolarHBondContact OD2-NE 2.87Å; D879-R882 IonicContact OD2-NH2 2.82Å; D879-F883 PolarHBondContact O-N 2.9Å
880	L	78.1	Confident	80.9	Confident	4 Å²	4	46 Å²	46	2%	0.021	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-61.3	-26.9	178.4	-55.3	176.8	0	0	0	112.5	V869 L872 V877 R882 F883 F885 I894 M898	V869-L880 HydrophobicContact CB-CD1 4.33Å; V869-L880 HydrophobicContact CG1-CD1 3.68Å; V869-L880 HydrophobicContact CG2-CD1 4.02Å; L872-L880 HydrophobicContact CB-CD2 3.73Å; L872-L880 HydrophobicContact CD1-CD2 4.09Å; V877-L880 HydrophobicContact CB-CD2 4.43Å; V877-L880 HydrophobicContact CG1-CD2 4.07Å; L880-R882 PolarHBondContact O-N 2.93Å; L880-F883 WeakPolarHBondContact O-CB 3.49Å; L880-F883 PolarHBondContact O-N 3.34Å; L880-F885 WeakPolarHBondContact O-CE2 3.22Å; L880-I894 HydrophobicContact CD1-CG2 4.15Å; L880-M898 HydrophobicContact CD1-CE 3.44Å; L880-M898 VanDerWaalsContact CD1-CE 3.44Å; L880-M898 HydrophobicContact CD1-CG 4.45Å; L880-M898 HydrophobicContact CD1-SD 3.71Å; L880-M898 HydrophobicContact CG-CE 4.07Å
881	M	73.2	Confident	80.5	Confident	62 Å²	62	47.3 Å²	47.3	31%	0.305	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-74.6	-18.6	-177.6	-49.8	-51.3	-60	0	0	112	V398 T400 D879 Q891 I894	V398-M881 HydrophobicContact CG1-CB 4.5Å; T400-M881 HydrophobicContact CG2-CE 3.18Å; D879-M881 PolarHBondContact O-N 3.19Å; D879-M881 WeakPolarHBondContact OD1-CB 3.5Å; D879-M881 PolarHBondContact OD1-N 3.23Å; M881-Q891 HydrophobicContact CE-CG 4.35Å; M881-I894 HydrophobicContact CE-CD1 3.85Å; M881-I894 HydrophobicContact SD-CB 4.47Å; M881-I894 HydrophobicContact SD-CD1 3.73Å; M881-I894 HydrophobicContact SD-CG2 3.97Å
882	R	74.3	Confident	80.3	Confident	196 Å²	196	49.3 Å²	49.3	74%	0.74	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-99.5	-5.8	172.5	-63.5	-179.1	-159	-142.3	-2.9	113.4	D879 L880	D879-R882 HydrophobicContact CB-CB 4.41Å; D879-R882 HydrophobicContact CB-CG 4.39Å; D879-R882 PolarHBondContact O-N 3.23Å; D879-R882 VanDerWaalsContact OD2-CD 3.23Å; D879-R882 WeakPolarHBondContact OD2-CD 3.23Å; D879-R882 WeakPolarHBondContact OD2-CG 3.42Å; D879-R882 IonicContact OD2-CZ 3.1Å; D879-R882 IonicContact OD2-NE 3.27Å; D879-R882 PolarHBondContact OD2-NE 2.87Å; D879-R882 IonicContact OD2-NH2 2.82Å; L880-R882 PolarHBondContact O-N 2.93Å
883	F	80.2	Confident	80.2	Confident	21 Å²	21	49.4 Å²	49.4	9%	0.092	26%	0.258	C	S	.	.	S	Bend	trans	-62.7	140.7	177.4	-174.2	-103	0	0	0	110	L640 L872 V877 D879 L880 F885	L640-F883 HydrophobicContact CD2-CE2 4.17Å; L640-F883 HydrophobicContact CD2-CZ 4.14Å; L640-F883 HydrophobicContact CG-CZ 4.3Å; L872-F883 HydrophobicContact CD2-CD2 4.49Å; L872-F883 HydrophobicContact CD2-CE1 4Å; L872-F883 HydrophobicContact CD2-CE2 3.99Å; L872-F883 HydrophobicContact CD2-CZ 3.69Å; V877-F883 HydrophobicContact CB-CD2 4.42Å; V877-F883 HydrophobicContact CG1-CB 4.01Å; V877-F883 HydrophobicContact CG1-CD2 3.63Å; V877-F883 HydrophobicContact CG1-CE2 4.49Å; V877-F883 HydrophobicContact CG1-CG 4.14Å; V877-F883 HydrophobicContact CG2-CD2 3.88Å; V877-F883 HydrophobicContact CG2-CE2 3.93Å; D879-F883 PolarHBondContact O-N 2.9Å; L880-F883 WeakPolarHBondContact O-CB 3.49Å; L880-F883 PolarHBondContact O-N 3.34Å; F883-F885 HydrophobicContact CB-CD2 4.33Å; F883-F885 HydrophobicContact CB-CE2 3.97Å; F883-F885 HydrophobicContact CB-CZ 4.39Å; F883-F885 AromaticContact CD1-CD1 3.71Å; F883-F885 HydrophobicContact CD1-CD1 3.71Å; F883-F885 AromaticContact CD1-CD2 3.94Å; F883-F885 HydrophobicContact CD1-CD2 3.94Å; F883-F885 AromaticContact CD1-CE1 3.52Å; F883-F885 HydrophobicContact CD1-CE1 3.52Å; F883-F885 AromaticContact CD1-CE2 3.77Å; F883-F885 HydrophobicContact CD1-CE2 3.77Å; F883-F885 AromaticContact CD1-CG 3.92Å; F883-F885 HydrophobicContact CD1-CG 3.92Å; F883-F885 AromaticContact CD1-CZ 3.56Å; F883-F885 HydrophobicContact CD1-CZ 3.56Å; F883-F885 AromaticContact CE1-CD1 3.99Å; F883-F885 HydrophobicContact CE1-CD1 3.99Å; F883-F885 AromaticContact CE1-CE1 3.82Å; F883-F885 HydrophobicContact CE1-CE1 3.82Å; F883-F885 HydrophobicContact CE1-CZ 4.27Å; F883-F885 HydrophobicContact CG-CE2 4.35Å; F883-F885 HydrophobicContact CG-CZ 4.35Å; F883-F885 PolarHBondContact O-N 3.18Å
884	H	78.8	Confident	80.1	Confident	103 Å²	103	48.5 Å²	48.5	48%	0.477	26%	0.255	S	S	.	.			trans	-78.2	74	-177.1	-62	99.4	0	0	0	110.2	G639 F668	G639-H884 WeakPolarHBondContact CA-O 3.36Å; F668-H884 HydrophobicContact CE2-CB 4.17Å; F668-H884 VanDerWaalsContact CE2-O 3.23Å; F668-H884 WeakPolarHBondContact CE2-O 3.41Å; F668-H884 HydrophobicContact CZ-CB 4.25Å; F668-H884 WeakPolarHBondContact CZ-O 3.06Å
885	F	82.9	Confident	80.1	Confident	31 Å²	31	49.6 Å²	49.6	14%	0.136	26%	0.257	C	S	.	.			trans	-72.4	142.1	163.6	-63.2	-70	0	0	0	110	I860 L872 L880 F883 A888 P889	I860-F885 HydrophobicContact CD1-CD1 3.57Å; I860-F885 HydrophobicContact CD1-CE1 3.62Å; L872-F885 HydrophobicContact CD1-CE1 4.07Å; L872-F885 HydrophobicContact CD1-CZ 3.77Å; L880-F885 WeakPolarHBondContact O-CE2 3.22Å; F883-F885 HydrophobicContact CB-CD2 4.33Å; F883-F885 HydrophobicContact CB-CE2 3.97Å; F883-F885 HydrophobicContact CB-CZ 4.39Å; F883-F885 AromaticContact CD1-CD1 3.71Å; F883-F885 HydrophobicContact CD1-CD1 3.71Å; F883-F885 AromaticContact CD1-CD2 3.94Å; F883-F885 HydrophobicContact CD1-CD2 3.94Å; F883-F885 AromaticContact CD1-CE1 3.52Å; F883-F885 HydrophobicContact CD1-CE1 3.52Å; F883-F885 AromaticContact CD1-CE2 3.77Å; F883-F885 HydrophobicContact CD1-CE2 3.77Å; F883-F885 AromaticContact CD1-CG 3.92Å; F883-F885 HydrophobicContact CD1-CG 3.92Å; F883-F885 AromaticContact CD1-CZ 3.56Å; F883-F885 HydrophobicContact CD1-CZ 3.56Å; F883-F885 AromaticContact CE1-CD1 3.99Å; F883-F885 HydrophobicContact CE1-CD1 3.99Å; F883-F885 AromaticContact CE1-CE1 3.82Å; F883-F885 HydrophobicContact CE1-CE1 3.82Å; F883-F885 HydrophobicContact CE1-CZ 4.27Å; F883-F885 HydrophobicContact CG-CE2 4.35Å; F883-F885 HydrophobicContact CG-CZ 4.35Å; F883-F885 PolarHBondContact O-N 3.18Å; F885-A888 HydrophobicContact CB-CB 4.32Å; F885-P889 HydrophobicContact CD2-CG 4.48Å; F885-P889 HydrophobicContact CE2-CG 4.29Å; F885-P889 HydrophobicContact CZ-CG 4.37Å
886	M	81.9	Confident	80.3	Confident	28 Å²	28	48.7 Å²	48.7	14%	0.138	25%	0.252	C	S	.	.	S	Bend	trans	-68.2	-52.4	174.1	-174.6	177.5	-66.7	0	0	110.7	F638 F665 F668 F669	F638-M886 HydrophobicContact CB-CE 4.38Å; F638-M886 HydrophobicContact CD2-CE 3.62Å; F638-M886 HydrophobicContact CD2-SD 4.44Å; F638-M886 HydrophobicContact CE2-CE 4.07Å; F638-M886 HydrophobicContact CG-CE 4.07Å; F665-M886 HydrophobicContact CD1-CE 3.55Å; F665-M886 HydrophobicContact CD1-SD 3.95Å; F665-M886 HydrophobicContact CE1-CE 3.87Å; F665-M886 HydrophobicContact CE1-SD 3.86Å; F665-M886 HydrophobicContact CG-CE 4.5Å; F668-M886 HydrophobicContact CB-CE 3.99Å; F668-M886 HydrophobicContact CB-CG 4.29Å; F668-M886 HydrophobicContact CD1-CE 3.69Å; F668-M886 HydrophobicContact CD2-CB 3.89Å; F668-M886 HydrophobicContact CD2-CG 4.14Å; F668-M886 HydrophobicContact CE1-CE 4.35Å; F668-M886 HydrophobicContact CE2-CB 4.07Å; F668-M886 HydrophobicContact CG-CB 4.23Å; F668-M886 HydrophobicContact CG-CE 3.81Å; F668-M886 HydrophobicContact CG-CG 4.16Å; F669-M886 HydrophobicContact CE2-CE 4.28Å
887	D	83	Confident	80.8	Confident	34 Å²	34	46.1 Å²	46.1	18%	0.182	23%	0.226	C	C	.	.	S	Bend	trans	-118	114.3	163.9	-67.3	-71.7	0	0	0	107.2	R630 P858	R630-D887 IonicContact CZ-OD2 3.2Å; R630-D887 IonicContact NH1-OD2 3.13Å; R630-D887 PolarHBondContact NH1-OD2 3.46Å; R630-D887 IonicContact NH2-OD2 2.76Å; R630-D887 PolarHBondContact NH2-OD2 3.39Å; P858-D887 HydrophobicContact CG-CB 4.11Å
888	A	83.5	Confident	81.1	Confident	51 Å²	51	46.2 Å²	46.2	42%	0.421	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-67.4	139.5	-176.2	0	0	0	0	0	111.3	Q402 Q861 F885	Q402-A888 PolarHBondContact OE1-O 3.32Å; Q861-A888 PolarHBondContact NE2-O 3.27Å; F885-A888 HydrophobicContact CB-CB 4.32Å
889	P	85.4	Confident	81.7	Confident	8 Å²	8	40.3 Å²	40.3	5%	0.052	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-66.6	153.6	172.5	16	-19	0	0	0	112.4	I860 L865 F885 I894	I860-P889 HydrophobicContact CD1-CG 4.27Å; I860-P889 HydrophobicContact CG1-CB 4.23Å; I860-P889 HydrophobicContact CG1-CG 4.08Å; L865-P889 HydrophobicContact CD1-CB 3.37Å; L865-P889 HydrophobicContact CD1-CG 3.72Å; F885-P889 HydrophobicContact CD2-CG 4.48Å; F885-P889 HydrophobicContact CE2-CG 4.29Å; F885-P889 HydrophobicContact CZ-CG 4.37Å; P889-I894 HydrophobicContact CB-CD1 4.48Å; P889-I894 HydrophobicContact CB-CG1 4.21Å; P889-I894 HydrophobicContact CG-CD1 3.92Å; P889-I894 HydrophobicContact CG-CG1 3.91Å
890	P	83.6	Confident	82.2	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-54.2	140.4	173.9	-25.7	34	0	0	0	112	D892 N893 I894	P890-D892 VanDerWaalsContact C-N 3.3Å; P890-D892 PolarHBondContact O-N 3.03Å; P890-N893 HydrophobicContact CB-CB 4.49Å; P890-N893 WeakPolarHBondContact O-CB 3.05Å; P890-N893 PolarHBondContact O-N 3.41Å; P890-I894 PolarHBondContact O-N 2.89Å
891	Q	80.8	Confident	82.7	Confident	29 Å²	29	38 Å²	38	14%	0.136	18%	0.184	C	C	.	.	H	α-helix	trans	-56.1	-45.5	-178.5	-172.1	164.2	7.7	0	0	112	V398 T400 Q402 M881 N893 I894 L895	V398-Q891 PolarHBondContact O-NE2 2.88Å; V398-Q891 PolarHBondContact O-OE1 2.95Å; T400-Q891 HydrophobicContact CG2-CB 3.79Å; T400-Q891 HydrophobicContact CG2-CG 3.75Å; T400-Q891 PolarHBondContact OG1-OE1 3.48Å; Q402-Q891 PolarHBondContact O-N 3.03Å; M881-Q891 HydrophobicContact CE-CG 4.35Å; Q891-N893 PolarHBondContact O-N 2.84Å; Q891-I894 PolarHBondContact O-N 3.06Å; Q891-I894 VanDerWaalsContact O-N 3.1Å; Q891-L895 HydrophobicContact CG-CD1 3.75Å; Q891-L895 HydrophobicContact CG-CG 4.01Å; Q891-L895 WeakPolarHBondContact O-CG 3.47Å; Q891-L895 PolarHBondContact O-N 2.77Å
892	D	80	Confident	83.4	Confident	64 Å²	64	35.6 Å²	35.6	34%	0.342	17%	0.172	S	C	.	.	H	α-helix	trans	-55.3	-37.8	177.6	-74.7	3.8	0	0	0	112.5	P807 P890 N896	P807-D892 HydrophobicContact CB-CB 4.49Å; P807-D892 HydrophobicContact CG-CB 4.33Å; P890-D892 VanDerWaalsContact C-N 3.3Å; P890-D892 PolarHBondContact O-N 3.03Å; D892-N896 WeakPolarHBondContact O-CB 3.36Å; D892-N896 PolarHBondContact O-N 3.31Å
893	N	83.4	Confident	84	Confident	2 Å²	2	26.5 Å²	26.5	1%	0.011	14%	0.137	C	C	.	.	H	α-helix	trans	-69	-42.3	178	-68.9	16.7	0	0	0	111.2	P807 L865 P890 Q891 S897	P807-N893 WeakPolarHBondContact CB-OD1 3.03Å; P807-N893 VanDerWaalsContact CG-OD1 3.28Å; P807-N893 WeakPolarHBondContact CG-OD1 3.49Å; L865-N893 HydrophobicContact CD1-CB 4.03Å; P890-N893 HydrophobicContact CB-CB 4.49Å; P890-N893 WeakPolarHBondContact O-CB 3.05Å; P890-N893 PolarHBondContact O-N 3.41Å; Q891-N893 PolarHBondContact O-N 2.84Å; N893-S897 VanDerWaalsContact O-CB 3.26Å; N893-S897 WeakPolarHBondContact O-CB 3.4Å; N893-S897 PolarHBondContact O-N 2.76Å; N893-S897 PolarHBondContact O-OG 3.38Å
894	I	85.4	Confident	84.3	Confident	7 Å²	7	25.8 Å²	25.8	4%	0.036	13%	0.134	C	C	.	.	H	α-helix	trans	-65	-48.9	176.9	-55.6	170.5	0	0	0	110.1	L865 L880 M881 P889 P890 Q891 S897 M898	L865-I894 HydrophobicContact CD1-CG1 4.33Å; L880-I894 HydrophobicContact CD1-CG2 4.15Å; M881-I894 HydrophobicContact CE-CD1 3.85Å; M881-I894 HydrophobicContact SD-CB 4.47Å; M881-I894 HydrophobicContact SD-CD1 3.73Å; M881-I894 HydrophobicContact SD-CG2 3.97Å; P889-I894 HydrophobicContact CB-CD1 4.48Å; P889-I894 HydrophobicContact CB-CG1 4.21Å; P889-I894 HydrophobicContact CG-CD1 3.92Å; P889-I894 HydrophobicContact CG-CG1 3.91Å; P890-I894 PolarHBondContact O-N 2.89Å; Q891-I894 PolarHBondContact O-N 3.06Å; Q891-I894 VanDerWaalsContact O-N 3.1Å; I894-S897 PolarHBondContact O-N 3.07Å; I894-M898 HydrophobicContact CG2-CG 4.32Å; I894-M898 VanDerWaalsContact O-CG 3.23Å; I894-M898 WeakPolarHBondContact O-CG 3.35Å; I894-M898 PolarHBondContact O-N 2.78Å
895	L	83.6	Confident	84.7	Confident	62 Å²	62	22.4 Å²	22.4	33%	0.325	13%	0.127	S	C	.	.	H	α-helix	trans	-65	-41.7	-178.1	-61.5	179.4	0	0	0	111.6	L393 Q891 M898 Y899	L393-L895 HydrophobicContact CD2-CB 4.27Å; L393-L895 HydrophobicContact CD2-CD2 3.62Å; L393-L895 HydrophobicContact CD2-CG 4.43Å; Q891-L895 HydrophobicContact CG-CD1 3.75Å; Q891-L895 HydrophobicContact CG-CG 4.01Å; Q891-L895 WeakPolarHBondContact O-CG 3.47Å; Q891-L895 PolarHBondContact O-N 2.77Å; L895-M898 PolarHBondContact O-N 2.7Å; L895-Y899 VanDerWaalsContact O-CB 3.28Å; L895-Y899 WeakPolarHBondContact O-CB 3.4Å; L895-Y899 PolarHBondContact O-N 3.28Å
896	N	83.9	Confident	85	Confident	28 Å²	28	21 Å²	21	15%	0.15	12%	0.121	C	C	.	.	H	α-helix	trans	-63.5	-40.5	173.9	-173	17.3	0	0	0	111.7	P807 D892 Y899 Q900	P807-N896 PolarHBondContact O-ND2 3.48Å; D892-N896 WeakPolarHBondContact O-CB 3.36Å; D892-N896 PolarHBondContact O-N 3.31Å; N896-Y899 PolarHBondContact O-N 2.97Å; N896-Q900 PolarHBondContact ND2-NE2 2.93Å; N896-Q900 WeakPolarHBondContact O-CB 3.45Å; N896-Q900 VanDerWaalsContact O-CG 3.3Å; N896-Q900 WeakPolarHBondContact O-CG 3.46Å; N896-Q900 PolarHBondContact O-N 3.24Å; N896-Q900 PolarHBondContact OD1-NE2 3.46Å
897	S	86.7	Confident	85.3	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-65	-42.6	176.4	-60.2	0	0	0	0	112.1	N864 L865 A866 N893 I894 Q900 L901	N864-S897 PolarHBondContact OD1-OG 3.49Å; L865-S897 WeakPolarHBondContact CB-OG 3.41Å; L865-S897 PolarHBondContact N-OG 3.45Å; A866-S897 PolarHBondContact N-OG 3.07Å; N893-S897 VanDerWaalsContact O-CB 3.26Å; N893-S897 WeakPolarHBondContact O-CB 3.4Å; N893-S897 PolarHBondContact O-N 2.76Å; N893-S897 PolarHBondContact O-OG 3.38Å; I894-S897 PolarHBondContact O-N 3.07Å; S897-Q900 PolarHBondContact O-N 2.74Å; S897-L901 WeakPolarHBondContact O-CG 3.21Å; S897-L901 PolarHBondContact O-N 3.33Å
898	M	86.5	Confident	85.4	Confident	22 Å²	22	20.8 Å²	20.8	11%	0.108	12%	0.12	C	C	.	.	H	α-helix	trans	-62.7	-41.7	173.2	-67.7	-80.6	-124.7	0	0	111.7	F392 V869 L880 I894 L895 L901 W902 L907	F392-M898 HydrophobicContact CE2-CB 4.12Å; F392-M898 HydrophobicContact CZ-CB 4.44Å; V869-M898 HydrophobicContact CG1-CG 4.19Å; V869-M898 HydrophobicContact CG1-SD 3.55Å; V869-M898 VanDerWaalsContact CG1-SD 3.55Å; L880-M898 HydrophobicContact CD1-CE 3.44Å; L880-M898 VanDerWaalsContact CD1-CE 3.44Å; L880-M898 HydrophobicContact CD1-CG 4.45Å; L880-M898 HydrophobicContact CD1-SD 3.71Å; L880-M898 HydrophobicContact CG-CE 4.07Å; I894-M898 HydrophobicContact CG2-CG 4.32Å; I894-M898 VanDerWaalsContact O-CG 3.23Å; I894-M898 WeakPolarHBondContact O-CG 3.35Å; I894-M898 PolarHBondContact O-N 2.78Å; L895-M898 PolarHBondContact O-N 2.7Å; M898-L901 PolarHBondContact O-N 3.42Å; M898-W902 WeakPolarHBondContact O-CB 3.4Å; M898-W902 PolarHBondContact O-N 3.37Å; M898-L907 HydrophobicContact CB-CD1 4.37Å; M898-L907 HydrophobicContact SD-CD1 3.54Å; M898-L907 VanDerWaalsContact SD-CD1 3.54Å
899	Y	85.3	Confident	85.2	Confident	29 Å²	29	19 Å²	19	11%	0.114	10%	0.104	C	C	.	.	H	α-helix	trans	-64.3	-42.3	176.7	179.2	-119.7	0	0	0	112.1	I388 L389 P390 L393 L895 N896 W902 I903 F1122	I388-Y899 PolarHBondContact O-OH 3.37Å; L389-Y899 HydrophobicContact CD2-CD2 4.37Å; L389-Y899 HydrophobicContact CD2-CE2 4.03Å; P390-Y899 HydrophobicContact CG-CD2 4.39Å; L393-Y899 HydrophobicContact CD1-CD2 4.12Å; L393-Y899 HydrophobicContact CD1-CG 4.37Å; L895-Y899 VanDerWaalsContact O-CB 3.28Å; L895-Y899 WeakPolarHBondContact O-CB 3.4Å; L895-Y899 PolarHBondContact O-N 3.28Å; N896-Y899 PolarHBondContact O-N 2.97Å; Y899-W902 HydrophobicContact CD2-CE3 4.1Å; Y899-W902 HydrophobicContact CE2-CE3 4.13Å; Y899-W902 HydrophobicContact CE2-CZ3 4.13Å; Y899-W902 PolarHBondContact O-N 2.93Å; Y899-I903 HydrophobicContact CD1-CD1 3.79Å; Y899-I903 HydrophobicContact CD2-CD1 4.35Å; Y899-I903 HydrophobicContact CE1-CD1 3.55Å; Y899-I903 HydrophobicContact CE2-CD1 4.13Å; Y899-I903 HydrophobicContact CE2-CG1 4.43Å; Y899-I903 HydrophobicContact CG-CD1 4.2Å; Y899-I903 VanDerWaalsContact O-CG1 3.26Å; Y899-I903 WeakPolarHBondContact O-CG1 3.3Å; Y899-I903 PolarHBondContact O-N 2.97Å; Y899-F1122 WeakPolarHBondContact OH-CE1 3.37Å
900	Q	85.6	Confident	84.9	Confident	22 Å²	22	20 Å²	20	10%	0.103	11%	0.11	C	C	.	.	H	α-helix	trans	-61.4	-46.1	173.4	-73.4	172.2	26.8	0	0	111.6	N864 N896 S897 W902 I903 F904	N864-Q900 PolarHBondContact ND2-OE1 3.25Å; N896-Q900 PolarHBondContact ND2-NE2 2.93Å; N896-Q900 WeakPolarHBondContact O-CB 3.45Å; N896-Q900 VanDerWaalsContact O-CG 3.3Å; N896-Q900 WeakPolarHBondContact O-CG 3.46Å; N896-Q900 PolarHBondContact O-N 3.24Å; N896-Q900 PolarHBondContact OD1-NE2 3.46Å; S897-Q900 PolarHBondContact O-N 2.74Å; Q900-W902 VanDerWaalsContact C-N 3.33Å; Q900-W902 PolarHBondContact O-N 2.9Å; Q900-I903 WeakPolarHBondContact O-CB 3.34Å; Q900-I903 PolarHBondContact O-N 3Å; Q900-F904 HydrophobicContact CB-CE2 4.19Å; Q900-F904 WeakPolarHBondContact O-CD2 3.21Å; Q900-F904 WeakPolarHBondContact O-CG 3.38Å; Q900-F904 PolarHBondContact O-N 3.21Å
901	L	89	Confident	84.7	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-66.6	-32.5	177.3	-68.7	172.5	0	0	0	113.4	A866 V869 L870 S897 M898 F904 G905 A906 L907 P927	A866-L901 WeakPolarHBondContact O-CD1 3.36Å; V869-L901 HydrophobicContact CB-CD1 3.79Å; V869-L901 HydrophobicContact CG1-CD1 3.41Å; V869-L901 VanDerWaalsContact CG1-CD1 3.41Å; L870-L901 HydrophobicContact CB-CD1 4.04Å; L870-L901 HydrophobicContact CB-CD2 4Å; L870-L901 HydrophobicContact CD1-CD2 4.28Å; L870-L901 HydrophobicContact CD2-CD2 4.38Å; L870-L901 HydrophobicContact CG-CD2 4.45Å; S897-L901 WeakPolarHBondContact O-CG 3.21Å; S897-L901 PolarHBondContact O-N 3.33Å; M898-L901 PolarHBondContact O-N 3.42Å; L901-F904 HydrophobicContact CD2-CD2 4.42Å; L901-F904 PolarHBondContact O-N 2.81Å; L901-G905 PolarHBondContact O-N 2.98Å; L901-G905 VanDerWaalsContact O-N 3.16Å; L901-A906 HydrophobicContact CB-CB 4.25Å; L901-A906 HydrophobicContact CD2-CB 4.13Å; L901-A906 WeakPolarHBondContact O-CB 3.19Å; L901-A906 PolarHBondContact O-N 3.41Å; L901-L907 HydrophobicContact CB-CD1 3.74Å; L901-L907 HydrophobicContact CB-CG 3.8Å; L901-L907 HydrophobicContact CD1-CD1 4.08Å; L901-L907 HydrophobicContact CD1-CG 4.42Å; L901-L907 PolarHBondContact O-N 3.47Å; L901-P927 HydrophobicContact CD2-CB 3.94Å; L901-P927 HydrophobicContact CD2-CG 3.97Å
902	W	88.2	Confident	84.9	Confident	11 Å²	11	20.9 Å²	20.9	4%	0.042	12%	0.12	C	C	.	.	H	α-helix	trans	-66.9	-43.5	170.8	177.6	77.4	0	0	0	111.6	P390 F392 M898 Y899 Q900 F904 G905 L907 N909 M1121 F1122 M1146	P390-W902 HydrophobicContact CB-CD2 3.72Å; P390-W902 HydrophobicContact CB-CE3 4.13Å; P390-W902 HydrophobicContact CB-CG 4.12Å; P390-W902 HydrophobicContact CB-CH2 4.34Å; P390-W902 HydrophobicContact CB-CZ2 3.96Å; P390-W902 HydrophobicContact CB-CZ3 4.41Å; P390-W902 HydrophobicContact CG-CD2 3.8Å; P390-W902 HydrophobicContact CG-CE3 3.88Å; P390-W902 HydrophobicContact CG-CG 4.12Å; P390-W902 HydrophobicContact CG-CZ3 4.37Å; F392-W902 HydrophobicContact CE1-CB 4.32Å; F392-W902 AromaticContact CE1-CD1 3.98Å; F392-W902 HydrophobicContact CE1-CG 4.14Å; F392-W902 HydrophobicContact CZ-CB 4.29Å; M898-W902 WeakPolarHBondContact O-CB 3.4Å; M898-W902 PolarHBondContact O-N 3.37Å; Y899-W902 HydrophobicContact CD2-CE3 4.1Å; Y899-W902 HydrophobicContact CE2-CE3 4.13Å; Y899-W902 HydrophobicContact CE2-CZ3 4.13Å; Y899-W902 PolarHBondContact O-N 2.93Å; Q900-W902 VanDerWaalsContact C-N 3.33Å; Q900-W902 PolarHBondContact O-N 2.9Å; W902-F904 PolarHBondContact O-N 2.89Å; W902-G905 PolarHBondContact O-N 2.9Å; W902-L907 HydrophobicContact CB-CB 4.49Å; W902-N909 PolarHBondContact NE1-OD1 3.08Å; W902-M1121 HydrophobicContact CH2-CE 4.27Å; W902-M1121 HydrophobicContact CH2-SD 3.52Å; W902-M1121 VanDerWaalsContact CH2-SD 3.52Å; W902-M1121 HydrophobicContact CZ2-CE 4.33Å; W902-M1121 HydrophobicContact CZ2-SD 3.57Å; W902-M1121 VanDerWaalsContact CZ2-SD 3.57Å; W902-M1121 HydrophobicContact CZ3-SD 4.47Å; W902-F1122 HydrophobicContact CZ3-CZ 4.01Å; W902-M1146 HydrophobicContact CH2-CE 4.04Å; W902-M1146 HydrophobicContact CZ2-CE 3.57Å
903	I	86.1	Confident	85.3	Confident	4 Å²	4	19.1 Å²	19.1	2%	0.021	11%	0.11	C	C	.	.	H	α-helix	trans	-56.7	-38.8	170.8	-72.2	163.7	0	0	0	111.6	Y899 Q900 G905 F1052 H1053 R1068 F1122	Y899-I903 HydrophobicContact CD1-CD1 3.79Å; Y899-I903 HydrophobicContact CD2-CD1 4.35Å; Y899-I903 HydrophobicContact CE1-CD1 3.55Å; Y899-I903 HydrophobicContact CE2-CD1 4.13Å; Y899-I903 HydrophobicContact CE2-CG1 4.43Å; Y899-I903 HydrophobicContact CG-CD1 4.2Å; Y899-I903 VanDerWaalsContact O-CG1 3.26Å; Y899-I903 WeakPolarHBondContact O-CG1 3.3Å; Y899-I903 PolarHBondContact O-N 2.97Å; Q900-I903 WeakPolarHBondContact O-CB 3.34Å; Q900-I903 PolarHBondContact O-N 3Å; I903-G905 PolarHBondContact O-N 2.65Å; I903-F1052 HydrophobicContact CG2-CE2 3.73Å; I903-F1052 HydrophobicContact CG2-CZ 3.65Å; I903-H1053 HydrophobicContact CG2-CB 3.85Å; I903-R1068 VanDerWaalsContact CD1-NH1 3.28Å; I903-F1122 HydrophobicContact CD1-CE2 4.49Å; I903-F1122 HydrophobicContact CD1-CZ 4Å; I903-F1122 HydrophobicContact CG1-CE2 3.8Å; I903-F1122 HydrophobicContact CG1-CZ 3.61Å; I903-F1122 HydrophobicContact CG2-CE2 4.46Å
904	F	86.8	Confident	85.6	Confident	7 Å²	7	20.5 Å²	20.5	3%	0.031	12%	0.119	C	C	.	.	H	α-helix	trans	-70.7	-17.8	175.3	-63.5	-45.6	0	0	0	113.1	Q900 L901 W902 A906 M920 P927 A928 K931 H1053	Q900-F904 HydrophobicContact CB-CE2 4.19Å; Q900-F904 WeakPolarHBondContact O-CD2 3.21Å; Q900-F904 WeakPolarHBondContact O-CG 3.38Å; Q900-F904 PolarHBondContact O-N 3.21Å; L901-F904 HydrophobicContact CD2-CD2 4.42Å; L901-F904 PolarHBondContact O-N 2.81Å; W902-F904 PolarHBondContact O-N 2.89Å; F904-A906 VanDerWaalsContact C-N 3.26Å; F904-M920 HydrophobicContact CB-CE 4.23Å; F904-P927 HydrophobicContact CD2-CB 3.96Å; F904-P927 HydrophobicContact CE2-CB 4.13Å; F904-A928 HydrophobicContact CE1-CB 3.93Å; F904-A928 HydrophobicContact CZ-CB 3.83Å; F904-K931 HydrophobicContact CB-CD 4.08Å; F904-K931 HydrophobicContact CD1-CD 4.01Å; F904-K931 HydrophobicContact CG-CD 4.48Å; F904-K931 VanDerWaalsContact O-CD 3.29Å; F904-K931 WeakPolarHBondContact O-CD 3.42Å; F904-K931 VanDerWaalsContact O-CE 3.29Å; F904-K931 WeakPolarHBondContact O-CE 3.25Å; F904-K931 PolarHBondContact O-NZ 3.39Å; F904-H1053 AromaticContact CE1-CE1 3.42Å; F904-H1053 VanDerWaalsContact CE1-CE1 3.42Å; F904-H1053 WeakPolarHBondContact CE1-CE1 3.37Å; F904-H1053 AromaticContact CE1-ND1 3.79Å; F904-H1053 AromaticContact CE1-NE2 3.95Å; F904-H1053 AromaticContact CZ-CE1 3.76Å; F904-H1053 AromaticContact CZ-NE2 3.84Å
905	G	86.6	Confident	85.8	Confident	32 Å²	32	25.8 Å²	25.8	33%	0.33	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	12.4	-171.7	0	0	0	0	0	113	L901 W902 I903 T914	L901-G905 PolarHBondContact O-N 2.98Å; L901-G905 VanDerWaalsContact O-N 3.16Å; W902-G905 PolarHBondContact O-N 2.9Å; I903-G905 PolarHBondContact O-N 2.65Å; G905-T914 WeakPolarHBondContact O-CB 3.32Å; G905-T914 VanDerWaalsContact O-CG2 3.3Å; G905-T914 WeakPolarHBondContact O-CG2 3.48Å; G905-T914 PolarHBondContact O-OG1 3.22Å
906	A	89.6	Confident	86.1	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	-75.6	-29.9	174	0	0	0	0	0	111.6	L870 L901 F904 T914 M920	L870-A906 HydrophobicContact CD1-CB 4.05Å; L901-A906 HydrophobicContact CB-CB 4.25Å; L901-A906 HydrophobicContact CD2-CB 4.13Å; L901-A906 WeakPolarHBondContact O-CB 3.19Å; L901-A906 PolarHBondContact O-N 3.41Å; F904-A906 VanDerWaalsContact C-N 3.26Å; A906-T914 PolarHBondContact O-N 3.14Å; A906-T914 PolarHBondContact O-OG1 3.19Å; A906-M920 HydrophobicContact CB-CE 4Å; A906-M920 HydrophobicContact CB-SD 3.65Å
907	L	88.2	Confident	86.3	Confident	3 Å²	3	23.6 Å²	23.6	2%	0.016	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-112.5	139	171.7	-63.3	178.1	0	0	0	110.9	K873 M898 L901 W902 S912 L913	K873-L907 HydrophobicContact CD-CD2 4.33Å; K873-L907 HydrophobicContact CG-CD2 4.15Å; M898-L907 HydrophobicContact CB-CD1 4.37Å; M898-L907 HydrophobicContact SD-CD1 3.54Å; M898-L907 VanDerWaalsContact SD-CD1 3.54Å; L901-L907 HydrophobicContact CB-CD1 3.74Å; L901-L907 HydrophobicContact CB-CG 3.8Å; L901-L907 HydrophobicContact CD1-CD1 4.08Å; L901-L907 HydrophobicContact CD1-CG 4.42Å; L901-L907 PolarHBondContact O-N 3.47Å; W902-L907 HydrophobicContact CB-CB 4.49Å; L907-S912 WeakPolarHBondContact CA-O 3.43Å; L907-L913 HydrophobicContact CD2-CD1 4.45Å
908	D	84.6	Confident	86.4	Confident	55 Å²	55	30.1 Å²	30.1	29%	0.294	16%	0.16	S	C	.	.			trans	-74.3	169.5	173.5	174.6	46.2	0	0	0	112.1	T910 G911 S912 T914	D908-T910 PolarHBondContact O-N 2.86Å; D908-T910 VanDerWaalsContact O-N 3.07Å; D908-T910 PolarHBondContact OD2-N 3.27Å; D908-T910 PolarHBondContact OD2-OG1 3.09Å; D908-G911 PolarHBondContact O-N 3.06Å; D908-S912 PolarHBondContact N-O 3.35Å; D908-T914 HydrophobicContact CB-CG2 4.09Å
909	N	80.2	Confident	86.4	Confident	15 Å²	15	33 Å²	33	8%	0.08	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-18.6	172.5	-73.8	-27.5	0	0	0	113.3	F392 W902 E1149 M1150	F392-N909 VanDerWaalsContact CD1-O 3.27Å; F392-N909 WeakPolarHBondContact CD1-O 3.39Å; W902-N909 PolarHBondContact NE1-OD1 3.08Å; N909-E1149 PolarHBondContact ND2-OE2 2.96Å; N909-M1150 WeakPolarHBondContact O-CE 3.47Å
910	T	78.5	Confident	86.6	Confident	29 Å²	29	31.7 Å²	31.7	18%	0.178	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-5.1	170.7	60.2	0	0	0	0	115.3	D908 S912 A1153 L1157	D908-T910 PolarHBondContact O-N 2.86Å; D908-T910 VanDerWaalsContact O-N 3.07Å; D908-T910 PolarHBondContact OD2-N 3.27Å; D908-T910 PolarHBondContact OD2-OG1 3.09Å; T910-S912 VanDerWaalsContact C-N 3.3Å; T910-S912 WeakPolarHBondContact OG1-CB 3.44Å; T910-S912 PolarHBondContact OG1-N 3.47Å; T910-S912 PolarHBondContact OG1-OG 2.79Å; T910-A1153 HydrophobicContact CG2-CB 3.32Å; T910-L1157 HydrophobicContact CG2-CD1 4.1Å
911	G	80.1	Confident	86.7	Confident	4 Å²	4	31.5 Å²	31.5	4%	0.041	17%	0.169	C	C	.	.	S	Bend	trans	74.3	18.3	-169.3	0	0	0	0	0	114	K873 D908	K873-G911 WeakPolarHBondContact CE-O 3.4Å; K873-G911 PolarHBondContact NZ-O 3.45Å; D908-G911 PolarHBondContact O-N 3.06Å
912	S	85.2	Confident	86.4	Confident	43 Å²	43	35.1 Å²	35.1	30%	0.301	19%	0.186	S	C	.	.	P	Polyproline II helix	trans	-87.9	151.8	172.8	-59.9	0	0	0	0	111.5	L907 D908 T910 T914	L907-S912 WeakPolarHBondContact CA-O 3.43Å; D908-S912 PolarHBondContact N-O 3.35Å; T910-S912 VanDerWaalsContact C-N 3.3Å; T910-S912 WeakPolarHBondContact OG1-CB 3.44Å; T910-S912 PolarHBondContact OG1-N 3.47Å; T910-S912 PolarHBondContact OG1-OG 2.79Å; S912-T914 PolarHBondContact O-N 3.49Å
913	L	87.6	Confident	86.2	Confident	26 Å²	26	34.9 Å²	34.9	14%	0.136	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-73.2	123.9	179.7	-170.8	71.2	0	0	0	111.9	L870 K873 L907 R918	L870-L913 HydrophobicContact CD1-CD1 3.54Å; K873-L913 HydrophobicContact CB-CB 4.46Å; K873-L913 HydrophobicContact CB-CD1 4.42Å; L907-L913 HydrophobicContact CD2-CD1 4.45Å; L913-R918 HydrophobicContact CD2-CB 4.47Å; L913-R918 HydrophobicContact CD2-CG 3.51Å; L913-R918 HydrophobicContact CG-CG 4Å
914	T	90.6	Very high	86	Confident	32 Å²	32	35.4 Å²	35.4	20%	0.196	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-77.8	170.6	177	70.6	0	0	0	0	111.8	G905 A906 D908 S912 L916 G917 R918	G905-T914 WeakPolarHBondContact O-CB 3.32Å; G905-T914 VanDerWaalsContact O-CG2 3.3Å; G905-T914 WeakPolarHBondContact O-CG2 3.48Å; G905-T914 PolarHBondContact O-OG1 3.22Å; A906-T914 PolarHBondContact O-N 3.14Å; A906-T914 PolarHBondContact O-OG1 3.19Å; D908-T914 HydrophobicContact CB-CG2 4.09Å; S912-T914 PolarHBondContact O-N 3.49Å; T914-L916 VanDerWaalsContact C-N 3.32Å; T914-L916 PolarHBondContact O-N 3.29Å; T914-L916 PolarHBondContact OG1-N 3.47Å; T914-G917 PolarHBondContact O-N 2.88Å; T914-G917 PolarHBondContact OG1-N 2.84Å; T914-R918 PolarHBondContact O-N 2.9Å
915	N	88.3	Confident	85.9	Confident	118 Å²	118	35.7 Å²	35.7	63%	0.631	19%	0.19	S	C	*	.	H	α-helix	trans	-63	-39.4	173.3	-71.5	-13.3	0	0	0	111.9	R918 Q919	N915-R918 PolarHBondContact O-N 3.03Å; N915-Q919 PolarHBondContact O-N 3.2Å; N915-Q919 VanDerWaalsContact O-N 3.11Å
916	L	90.1	Very high	85.8	Confident	43 Å²	43	37.7 Å²	37.7	23%	0.225	19%	0.193	C	C	.	.	H	α-helix	trans	-61.4	-44.9	172.3	177.1	134.2	0	0	0	110.4	T914 R918 Q919 M920 I934	T914-L916 VanDerWaalsContact C-N 3.32Å; T914-L916 PolarHBondContact O-N 3.29Å; T914-L916 PolarHBondContact OG1-N 3.47Å; L916-R918 VanDerWaalsContact C-N 3.29Å; L916-R918 PolarHBondContact O-N 2.71Å; L916-Q919 PolarHBondContact O-N 3.04Å; L916-Q919 VanDerWaalsContact O-N 3.16Å; L916-M920 HydrophobicContact CD2-CG 4.42Å; L916-M920 HydrophobicContact CD2-SD 3.35Å; L916-M920 WeakPolarHBondContact CD2-SD 3.24Å; L916-M920 HydrophobicContact CG-SD 4.08Å; L916-M920 WeakPolarHBondContact O-CG 3.17Å; L916-M920 PolarHBondContact O-N 2.94Å; L916-I934 HydrophobicContact CD1-CG2 4.2Å
917	G	89.5	Confident	85.7	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-56.8	-37.6	173.5	0	0	0	0	0	113.9	T914 M920 V921	T914-G917 PolarHBondContact O-N 2.88Å; T914-G917 PolarHBondContact OG1-N 2.84Å; G917-M920 PolarHBondContact O-N 2.88Å; G917-V921 WeakPolarHBondContact O-CG2 3.23Å; G917-V921 PolarHBondContact O-N 3.15Å
918	R	87.3	Confident	85.8	Confident	137 Å²	137	37.9 Å²	37.9	52%	0.517	20%	0.195	S	C	.	.	H	α-helix	trans	-66.6	-45.5	174.2	-68.4	176.3	-163.7	176.8	6.5	112.3	L913 T914 N915 L916 M920 V921	L913-R918 HydrophobicContact CD2-CB 4.47Å; L913-R918 HydrophobicContact CD2-CG 3.51Å; L913-R918 HydrophobicContact CG-CG 4Å; T914-R918 PolarHBondContact O-N 2.9Å; N915-R918 PolarHBondContact O-N 3.03Å; L916-R918 VanDerWaalsContact C-N 3.29Å; L916-R918 PolarHBondContact O-N 2.71Å; R918-M920 PolarHBondContact O-N 2.67Å; R918-V921 PolarHBondContact O-N 3.27Å
919	Q	87.5	Confident	86.1	Confident	82 Å²	82	35.8 Å²	35.8	38%	0.383	18%	0.184	S	C	.	.	H	α-helix	trans	-61.3	-35.4	176.6	-70.9	173	-25.9	0	0	111.8	N915 L916 V921 E922 F923 I934	N915-Q919 PolarHBondContact O-N 3.2Å; N915-Q919 VanDerWaalsContact O-N 3.11Å; L916-Q919 PolarHBondContact O-N 3.04Å; L916-Q919 VanDerWaalsContact O-N 3.16Å; Q919-V921 VanDerWaalsContact C-N 3.3Å; Q919-V921 PolarHBondContact O-N 3.19Å; Q919-E922 PolarHBondContact O-N 2.75Å; Q919-F923 VanDerWaalsContact O-CD2 3.27Å; Q919-F923 WeakPolarHBondContact O-CD2 3.29Å; Q919-I934 HydrophobicContact CB-CD1 3.68Å; Q919-I934 HydrophobicContact CB-CG1 4.46Å
920	M	89.7	Confident	86.6	Confident	2 Å²	2	35 Å²	35	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-65.4	-28.4	178.7	-68.3	163.6	74.5	0	0	114.3	L870 F904 A906 L916 G917 R918 P927 S930 K931 I934	L870-M920 HydrophobicContact CD2-CB 4.02Å; F904-M920 HydrophobicContact CB-CE 4.23Å; A906-M920 HydrophobicContact CB-CE 4Å; A906-M920 HydrophobicContact CB-SD 3.65Å; L916-M920 HydrophobicContact CD2-CG 4.42Å; L916-M920 HydrophobicContact CD2-SD 3.35Å; L916-M920 WeakPolarHBondContact CD2-SD 3.24Å; L916-M920 HydrophobicContact CG-SD 4.08Å; L916-M920 WeakPolarHBondContact O-CG 3.17Å; L916-M920 PolarHBondContact O-N 2.94Å; G917-M920 PolarHBondContact O-N 2.88Å; R918-M920 PolarHBondContact O-N 2.67Å; M920-P927 HydrophobicContact CE-CB 3.69Å; M920-P927 WeakPolarHBondContact CE-O 3.48Å; M920-S930 PolarHBondContact O-OG 3.03Å; M920-K931 HydrophobicContact CE-CB 4.14Å; M920-I934 HydrophobicContact CG-CD1 3.62Å
921	V	86.3	Confident	87.2	Confident	18 Å²	18	34.6 Å²	34.6	11%	0.109	18%	0.176	C	C	.	.	H	α-helix	trans	-69.6	-33.7	-179	172.6	0	0	0	0	112.2	L611 L870 G917 R918 Q919 F923	L611-V921 HydrophobicContact CD1-CG1 3.91Å; L611-V921 HydrophobicContact CD2-CG1 4.24Å; L870-V921 HydrophobicContact CD1-CG2 4.04Å; L870-V921 HydrophobicContact CD2-CG2 4.17Å; L870-V921 HydrophobicContact CG-CG2 3.67Å; G917-V921 WeakPolarHBondContact O-CG2 3.23Å; G917-V921 PolarHBondContact O-N 3.15Å; R918-V921 PolarHBondContact O-N 3.27Å; Q919-V921 VanDerWaalsContact C-N 3.3Å; Q919-V921 PolarHBondContact O-N 3.19Å; V921-F923 PolarHBondContact O-N 2.99Å
922	E	82.6	Confident	87.8	Confident	77 Å²	77	34.4 Å²	34.4	36%	0.36	17%	0.174	S	C	.	.	H	α-helix	trans	-69.4	-25.8	-178.1	-66.4	-67.3	162.9	0	0	112.1	Q919 H1029	Q919-E922 PolarHBondContact O-N 2.75Å; E922-H1029 WeakPolarHBondContact CG-NE2 3.26Å
923	F	84.3	Confident	88.2	Confident	6 Å²	6	32.3 Å²	32.3	3%	0.026	16%	0.159	C	C	.	.	S	Bend	trans	-79.3	132.5	174.3	-68	-74.6	0	0	0	111.5	Q919 V921 L925 S930 L933 I934 M1022 I1025 M1026 M1031	Q919-F923 VanDerWaalsContact O-CD2 3.27Å; Q919-F923 WeakPolarHBondContact O-CD2 3.29Å; V921-F923 PolarHBondContact O-N 2.99Å; F923-L925 HydrophobicContact CB-CB 4.49Å; F923-L925 HydrophobicContact CB-CD1 4.48Å; F923-L925 HydrophobicContact CB-CG 4.42Å; F923-L925 PolarHBondContact O-N 3.35Å; F923-S930 WeakPolarHBondContact CB-OG 3.42Å; F923-L933 HydrophobicContact CD1-CD1 3.86Å; F923-L933 HydrophobicContact CE1-CD1 3.79Å; F923-L933 HydrophobicContact CG-CD1 4.47Å; F923-L933 HydrophobicContact CZ-CB 4.49Å; F923-L933 HydrophobicContact CZ-CD1 4.34Å; F923-I934 HydrophobicContact CE2-CD1 4.24Å; F923-I934 HydrophobicContact CE2-CG1 3.96Å; F923-M1022 HydrophobicContact CD1-SD 4.21Å; F923-I1025 HydrophobicContact CD1-CG2 3.85Å; F923-I1025 HydrophobicContact CE1-CB 4.38Å; F923-I1025 HydrophobicContact CE1-CG2 3.75Å; F923-I1025 HydrophobicContact CZ-CG2 4.44Å; F923-M1026 HydrophobicContact CE1-CG 3.92Å; F923-M1026 HydrophobicContact CZ-CG 4.06Å; F923-M1031 HydrophobicContact CE2-CE 4.12Å; F923-M1031 HydrophobicContact CZ-CE 3.55Å; F923-M1031 HydrophobicContact CZ-SD 4.49Å
924	P	82.3	Confident	88.4	Confident	14 Å²	14	31.5 Å²	31.5	9%	0.091	16%	0.155	C	C	.	.	S	Bend	trans	-79.1	35.4	178.4	36.5	-39.5	0	0	0	112.9	R587 R608 M1022 I1025	R587-P924 PolarHBondContact NH2-O 3.17Å; R608-P924 VanDerWaalsContact NH2-CB 3.27Å; P924-M1022 HydrophobicContact CG-CE 3.45Å; P924-M1022 VanDerWaalsContact CG-CE 3.45Å; P924-M1022 HydrophobicContact CG-SD 4.12Å; P924-I1025 HydrophobicContact CG-CD1 4.42Å
925	L	84.3	Confident	88.4	Confident	14 Å²	14	31.2 Å²	31.2	7%	0.073	15%	0.152	C	C	.	.	S	Bend	trans	-117.7	171.4	-170.2	-59	176.9	0	0	0	111.3	F923 L929 L933 V949 M1022	F923-L925 HydrophobicContact CB-CB 4.49Å; F923-L925 HydrophobicContact CB-CD1 4.48Å; F923-L925 HydrophobicContact CB-CG 4.42Å; F923-L925 PolarHBondContact O-N 3.35Å; L925-L929 HydrophobicContact CB-CB 4.14Å; L925-L929 HydrophobicContact CD1-CB 4.33Å; L925-L933 HydrophobicContact CD1-CD1 3.55Å; L925-V949 HydrophobicContact CD1-CG1 3.59Å; L925-M1022 HydrophobicContact CD1-SD 3.87Å; L925-M1022 HydrophobicContact CD2-SD 4.28Å; L925-M1022 HydrophobicContact CG-SD 4.05Å
926	D	84.7	Confident	88.5	Confident	73 Å²	73	25.6 Å²	25.6	39%	0.39	12%	0.122	S	C	.	.			trans	-65.6	143.5	167.7	-176.1	-89.4	0	0	0	110.3	A928 L929 S930	D926-A928 PolarHBondContact O-N 3.17Å; D926-A928 VanDerWaalsContact O-N 3.07Å; D926-A928 WeakPolarHBondContact OD1-CB 3.37Å; D926-A928 PolarHBondContact OD1-N 2.77Å; D926-L929 PolarHBondContact O-N 2.91Å; D926-S930 PolarHBondContact O-N 3.16Å; D926-S930 PolarHBondContact O-OG 2.87Å
927	P	88	Confident	88.5	Confident	1 Å²	1	24.6 Å²	24.6	1%	0.006	12%	0.118	C	C	.	.	H	α-helix	trans	-46.5	-37.5	176.5	-32.8	38	0	0	0	115	A866 L870 L901 F904 M920 S930 K931	A866-P927 HydrophobicContact CB-CG 4.47Å; L870-P927 HydrophobicContact CD2-CB 4.43Å; L870-P927 HydrophobicContact CD2-CG 3.96Å; L901-P927 HydrophobicContact CD2-CB 3.94Å; L901-P927 HydrophobicContact CD2-CG 3.97Å; F904-P927 HydrophobicContact CD2-CB 3.96Å; F904-P927 HydrophobicContact CE2-CB 4.13Å; M920-P927 HydrophobicContact CE-CB 3.69Å; M920-P927 WeakPolarHBondContact CE-O 3.48Å; P927-S930 PolarHBondContact O-N 3.26Å; P927-K931 WeakPolarHBondContact O-CB 3.44Å; P927-K931 PolarHBondContact O-N 2.77Å
928	A	89.4	Confident	88.4	Confident	6 Å²	6	30.5 Å²	30.5	5%	0.05	15%	0.15	C	C	.	.	H	α-helix	trans	-62.1	-48.5	175.6	0	0	0	0	0	111.7	F904 D926 K931 L932 T1050 F1051	F904-A928 HydrophobicContact CE1-CB 3.93Å; F904-A928 HydrophobicContact CZ-CB 3.83Å; D926-A928 PolarHBondContact O-N 3.17Å; D926-A928 VanDerWaalsContact O-N 3.07Å; D926-A928 WeakPolarHBondContact OD1-CB 3.37Å; D926-A928 PolarHBondContact OD1-N 2.77Å; A928-K931 PolarHBondContact O-N 2.93Å; A928-L932 PolarHBondContact O-N 3.41Å; A928-T1050 HydrophobicContact CB-CG2 4.19Å; A928-T1050 WeakPolarHBondContact O-CG2 3.42Å; A928-F1051 HydrophobicContact CB-CE1 3.84Å
929	L	91.4	Very high	88.4	Confident	11 Å²	11	26.8 Å²	26.8	6%	0.058	14%	0.139	C	C	.	.	H	α-helix	trans	-68.2	-36.1	179.6	-66	175.3	0	0	0	112.5	L925 D926 L932 L933 V949 L952 F1051	L925-L929 HydrophobicContact CB-CB 4.14Å; L925-L929 HydrophobicContact CD1-CB 4.33Å; D926-L929 PolarHBondContact O-N 2.91Å; L929-L932 PolarHBondContact O-N 3Å; L929-L933 PolarHBondContact O-N 3.44Å; L929-L933 VanDerWaalsContact O-N 3.15Å; L929-V949 HydrophobicContact CB-CG1 4.23Å; L929-V949 HydrophobicContact CD2-CG1 4.49Å; L929-V949 HydrophobicContact CD2-CG2 4.26Å; L929-L952 HydrophobicContact CD2-CB 4.44Å; L929-L952 HydrophobicContact CD2-CD1 3.86Å; L929-F1051 HydrophobicContact CD2-CZ 4.17Å
930	S	91.1	Very high	88.4	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.7	-43.5	173.1	-60.1	0	0	0	0	111.8	M920 F923 D926 P927 L932 L933 I934	M920-S930 PolarHBondContact O-OG 3.03Å; F923-S930 WeakPolarHBondContact CB-OG 3.42Å; D926-S930 PolarHBondContact O-N 3.16Å; D926-S930 PolarHBondContact O-OG 2.87Å; P927-S930 PolarHBondContact O-N 3.26Å; S930-L932 VanDerWaalsContact C-N 3.33Å; S930-L932 PolarHBondContact O-N 2.84Å; S930-L933 PolarHBondContact O-N 2.94Å; S930-I934 WeakPolarHBondContact O-CD1 3.34Å; S930-I934 WeakPolarHBondContact O-CG1 3.36Å; S930-I934 PolarHBondContact O-N 3.25Å
931	K	91.4	Very high	88.4	Confident	19 Å²	19	26 Å²	26	8%	0.083	14%	0.138	C	C	.	.	H	α-helix	trans	-60.5	-42.6	174.6	175.8	177.2	-176.7	164.5	0	111.5	F904 M920 P927 A928 L933 I934 I935 T1050	F904-K931 HydrophobicContact CB-CD 4.08Å; F904-K931 HydrophobicContact CD1-CD 4.01Å; F904-K931 HydrophobicContact CG-CD 4.48Å; F904-K931 VanDerWaalsContact O-CD 3.29Å; F904-K931 WeakPolarHBondContact O-CD 3.42Å; F904-K931 VanDerWaalsContact O-CE 3.29Å; F904-K931 WeakPolarHBondContact O-CE 3.25Å; F904-K931 PolarHBondContact O-NZ 3.39Å; M920-K931 HydrophobicContact CE-CB 4.14Å; P927-K931 WeakPolarHBondContact O-CB 3.44Å; P927-K931 PolarHBondContact O-N 2.77Å; A928-K931 PolarHBondContact O-N 2.93Å; K931-L933 PolarHBondContact O-N 2.82Å; K931-I934 PolarHBondContact O-N 3.12Å; K931-I935 HydrophobicContact CD-CD1 4.17Å; K931-I935 HydrophobicContact CG-CD1 3.71Å; K931-I935 HydrophobicContact CG-CG1 4.27Å; K931-I935 WeakPolarHBondContact O-CG1 3.5Å; K931-I935 PolarHBondContact O-N 3.42Å; K931-T1050 HydrophobicContact CB-CG2 4.41Å; K931-T1050 HydrophobicContact CD-CG2 4.44Å; K931-T1050 HydrophobicContact CG-CG2 4.47Å
932	L	92.5	Very high	88.6	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.5	-43.7	-179.4	-174.1	63.7	0	0	0	112.2	A928 L929 S930 S936 I945 V949 C1046 L1047 T1050 F1051	A928-L932 PolarHBondContact O-N 3.41Å; L929-L932 PolarHBondContact O-N 3Å; S930-L932 VanDerWaalsContact C-N 3.33Å; S930-L932 PolarHBondContact O-N 2.84Å; L932-S936 WeakPolarHBondContact O-CB 3.28Å; L932-S936 PolarHBondContact O-N 3.27Å; L932-S936 PolarHBondContact O-OG 3.08Å; L932-I945 HydrophobicContact CD1-CD1 4.17Å; L932-I945 HydrophobicContact CD1-CG2 4.38Å; L932-I945 HydrophobicContact CD2-CG2 4.18Å; L932-I945 HydrophobicContact CG-CD1 4.4Å; L932-I945 HydrophobicContact CG-CG2 3.69Å; L932-V949 HydrophobicContact CD2-CG2 3.81Å; L932-V949 HydrophobicContact CG-CG2 4.34Å; L932-C1046 WeakPolarHBondContact CD1-O 3.46Å; L932-L1047 HydrophobicContact CD1-CD2 4.13Å; L932-L1047 HydrophobicContact CD2-CD2 3.74Å; L932-T1050 WeakPolarHBondContact CA-OG1 3.34Å; L932-T1050 HydrophobicContact CB-CG2 4.1Å; L932-T1050 WeakPolarHBondContact CD1-OG1 3.39Å; L932-F1051 HydrophobicContact CD2-CE2 3.99Å
933	L	92.3	Very high	89	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.9	-45.3	174.2	-72.1	177.2	0	0	0	112.1	F923 L925 L929 S930 K931 S936 C937 I945 L946 V949 M1026	F923-L933 HydrophobicContact CD1-CD1 3.86Å; F923-L933 HydrophobicContact CE1-CD1 3.79Å; F923-L933 HydrophobicContact CG-CD1 4.47Å; F923-L933 HydrophobicContact CZ-CB 4.49Å; F923-L933 HydrophobicContact CZ-CD1 4.34Å; L925-L933 HydrophobicContact CD1-CD1 3.55Å; L929-L933 PolarHBondContact O-N 3.44Å; L929-L933 VanDerWaalsContact O-N 3.15Å; S930-L933 PolarHBondContact O-N 2.94Å; K931-L933 PolarHBondContact O-N 2.82Å; L933-S936 PolarHBondContact O-N 3.2Å; L933-S936 PolarHBondContact O-OG 3.06Å; L933-C937 PolarHBondContact O-SG 3.48Å; L933-C937 VanDerWaalsContact O-SG 3.35Å; L933-I945 HydrophobicContact CD2-CG2 4.37Å; L933-L946 HydrophobicContact CD2-CB 4.33Å; L933-L946 HydrophobicContact CD2-CD1 4.28Å; L933-V949 HydrophobicContact CD1-CG1 4.18Å; L933-V949 HydrophobicContact CD2-CB 4.02Å; L933-V949 HydrophobicContact CD2-CG1 4.2Å; L933-V949 HydrophobicContact CD2-CG2 3.92Å; L933-V949 HydrophobicContact CG-CB 4.39Å; L933-V949 HydrophobicContact CG-CG1 4.14Å; L933-V949 HydrophobicContact CG-CG2 4.11Å; L933-M1026 HydrophobicContact CD2-SD 4.3Å
934	I	91.9	Very high	89.4	Confident	8 Å²	8	24.6 Å²	24.6	4%	0.041	13%	0.13	C	C	.	.	H	α-helix	trans	-64.6	-51	-178.6	-64.3	162.8	0	0	0	110.5	L916 Q919 M920 F923 S930 K931 S936 C937	L916-I934 HydrophobicContact CD1-CG2 4.2Å; Q919-I934 HydrophobicContact CB-CD1 3.68Å; Q919-I934 HydrophobicContact CB-CG1 4.46Å; M920-I934 HydrophobicContact CG-CD1 3.62Å; F923-I934 HydrophobicContact CE2-CD1 4.24Å; F923-I934 HydrophobicContact CE2-CG1 3.96Å; S930-I934 WeakPolarHBondContact O-CD1 3.34Å; S930-I934 WeakPolarHBondContact O-CG1 3.36Å; S930-I934 PolarHBondContact O-N 3.25Å; K931-I934 PolarHBondContact O-N 3.12Å; I934-S936 VanDerWaalsContact C-N 3.25Å; I934-S936 PolarHBondContact O-N 3.46Å; I934-C937 VanDerWaalsContact O-CB 3.3Å; I934-C937 WeakPolarHBondContact O-CB 3.42Å; I934-C937 PolarHBondContact O-N 3.44Å
935	I	90.4	Very high	90	Very high	27 Å²	27	23.9 Å²	23.9	14%	0.138	13%	0.125	C	C	.	.	H	α-helix	trans	-63.2	-31.3	179.7	-68.1	-179.4	0	0	0	112.1	K931 C937 D938 M939 A1049	K931-I935 HydrophobicContact CD-CD1 4.17Å; K931-I935 HydrophobicContact CG-CD1 3.71Å; K931-I935 HydrophobicContact CG-CG1 4.27Å; K931-I935 WeakPolarHBondContact O-CG1 3.5Å; K931-I935 PolarHBondContact O-N 3.42Å; I935-C937 PolarHBondContact O-N 3.33Å; I935-D938 PolarHBondContact O-N 2.91Å; I935-D938 VanDerWaalsContact O-N 3.14Å; I935-M939 HydrophobicContact CG2-CG 4.03Å; I935-M939 PolarHBondContact O-N 2.89Å; I935-A1049 HydrophobicContact CD1-CB 4.34Å; I935-A1049 HydrophobicContact CG2-CB 4.14Å
936	S	91.8	Very high	90.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.8	-20.4	176.1	75.2	0	0	0	0	114.1	L932 L933 I934 N940 C941 S942	L932-S936 WeakPolarHBondContact O-CB 3.28Å; L932-S936 PolarHBondContact O-N 3.27Å; L932-S936 PolarHBondContact O-OG 3.08Å; L933-S936 PolarHBondContact O-N 3.2Å; L933-S936 PolarHBondContact O-OG 3.06Å; I934-S936 VanDerWaalsContact C-N 3.25Å; I934-S936 PolarHBondContact O-N 3.46Å; S936-N940 CarbonylContact O-C 3.35Å; S936-N940 PolarHBondContact O-N 3.3Å; S936-N940 VanDerWaalsContact O-N 3.13Å; S936-C941 PolarHBondContact O-N 2.91Å; S936-S942 PolarHBondContact O-N 3.43Å; S936-S942 WeakPolarHBondContact OG-CA 3.29Å
937	C	89.9	Confident	90.8	Very high	22 Å²	22	19.9 Å²	19.9	15%	0.149	10%	0.104	C	C	.	.	H	α-helix	trans	-74.7	-41.9	172.5	-57.6	0	0	0	0	110.9	L933 I934 I935 N940 M1026	L933-C937 PolarHBondContact O-SG 3.48Å; L933-C937 VanDerWaalsContact O-SG 3.35Å; I934-C937 VanDerWaalsContact O-CB 3.3Å; I934-C937 WeakPolarHBondContact O-CB 3.42Å; I934-C937 PolarHBondContact O-N 3.44Å; I935-C937 PolarHBondContact O-N 3.33Å; C937-N940 PolarHBondContact O-N 3.37Å; C937-M1026 VanDerWaalsContact SG-CE 3.57Å
938	D	87.9	Confident	91.1	Very high	124 Å²	124	19.9 Å²	19.9	66%	0.663	10%	0.104	S	C	*	.	H	α-helix	trans	-67.9	-36.4	176.3	-61.6	-30.4	0	0	0	111.9	I935 N940	I935-D938 PolarHBondContact O-N 2.91Å; I935-D938 VanDerWaalsContact O-N 3.14Å; D938-N940 VanDerWaalsContact C-N 3.31Å
939	M	86.6	Confident	91.3	Very high	58 Å²	58	19.6 Å²	19.6	29%	0.286	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	7.4	177	-63.4	-70.5	-78.1	0	0	113.3	I935 C941 I1036 V1042 E1045	I935-M939 HydrophobicContact CG2-CG 4.03Å; I935-M939 PolarHBondContact O-N 2.89Å; M939-C941 PolarHBondContact O-N 3.22Å; M939-I1036 VanDerWaalsContact O-CD1 3.25Å; M939-I1036 WeakPolarHBondContact O-CD1 3.3Å; M939-V1042 HydrophobicContact CB-CG1 4.33Å; M939-V1042 HydrophobicContact CE-CG1 4.21Å; M939-E1045 HydrophobicContact CE-CB 4.37Å; M939-E1045 HydrophobicContact CE-CG 4.06Å
940	N	87.1	Confident	91.3	Very high	69 Å²	69	19 Å²	19	37%	0.369	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	6.5	-179.2	-57.1	-56	0	0	0	117.8	S936 C937 D938 S942 Q1034 I1036	S936-N940 CarbonylContact O-C 3.35Å; S936-N940 PolarHBondContact O-N 3.3Å; S936-N940 VanDerWaalsContact O-N 3.13Å; C937-N940 PolarHBondContact O-N 3.37Å; D938-N940 VanDerWaalsContact C-N 3.31Å; N940-S942 VanDerWaalsContact C-N 3.34Å; N940-S942 PolarHBondContact O-N 3.46Å; N940-Q1034 HydrophobicContact CB-CB 4.23Å; N940-Q1034 CarbonylContact O-C 3.54Å; N940-Q1034 VanDerWaalsContact O-C 3.24Å; N940-Q1034 WeakPolarHBondContact O-CB 3.39Å; N940-Q1034 PolarHBondContact OD1-OE1 2.87Å; N940-I1036 HydrophobicContact CB-CD1 4.04Å; N940-I1036 HydrophobicContact CB-CG1 4.36Å; N940-I1036 WeakPolarHBondContact O-CG1 3.41Å
941	C	89.8	Confident	91.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.1	C	C	.	.			trans	-95.2	28.6	-178.1	58.3	0	0	0	0	114.2	S936 M939 E943 I945 I1036 V1042 V1043	S936-C941 PolarHBondContact O-N 2.91Å; M939-C941 PolarHBondContact O-N 3.22Å; C941-E943 PolarHBondContact O-N 2.68Å; C941-I945 WeakPolarHBondContact O-CB 3.33Å; C941-I945 WeakPolarHBondContact O-CG1 3.42Å; C941-I945 PolarHBondContact O-N 3.05Å; C941-I945 VanDerWaalsContact O-N 3.09Å; C941-I1036 HydrophobicContact CB-CD1 3.92Å; C941-I1036 HydrophobicContact CB-CG1 4.37Å; C941-V1042 HydrophobicContact CB-CG1 4.36Å; C941-V1043 HydrophobicContact CB-CG2 4.23Å
942	S	91	Very high	91.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-67	-30.8	-168.4	64.1	0	0	0	0	115.3	S936 N940 L946 L1033 Q1034	S936-S942 PolarHBondContact O-N 3.43Å; S936-S942 WeakPolarHBondContact OG-CA 3.29Å; N940-S942 VanDerWaalsContact C-N 3.34Å; N940-S942 PolarHBondContact O-N 3.46Å; S942-L946 WeakPolarHBondContact O-CB 3.37Å; S942-L946 PolarHBondContact O-N 3.31Å; S942-L1033 WeakPolarHBondContact OG-CA 3.28Å; S942-Q1034 PolarHBondContact N-O 2.75Å; S942-Q1034 VanDerWaalsContact N-O 3.16Å; S942-Q1034 PolarHBondContact OG-N 3.39Å; S942-Q1034 PolarHBondContact OG-O 3.11Å
943	E	91.6	Very high	90.7	Very high	55 Å²	55	21.3 Å²	21.3	26%	0.257	12%	0.115	S	C	.	.	H	α-helix	trans	-71.3	-40.8	-179.7	-163.7	-168.1	143.7	0	0	111.8	C941 T947 R993 R1019 Q1034	C941-E943 PolarHBondContact O-N 2.68Å; E943-T947 WeakPolarHBondContact O-CB 3.49Å; E943-T947 PolarHBondContact O-N 2.99Å; E943-T947 PolarHBondContact O-OG1 2.89Å; E943-R993 IonicContact OE1-CZ 2.91Å; E943-R993 IonicContact OE1-NH1 3.17Å; E943-R993 PolarHBondContact OE1-NH1 2.89Å; E943-R993 IonicContact OE1-NH2 3.95Å; E943-R993 PolarHBondContact OE1-NH2 3.37Å; E943-R993 VanDerWaalsContact OE1-NH2 3.12Å; E943-R1019 IonicContact OE1-NH2 3.8Å; E943-R1019 PolarHBondContact OE1-NH2 3.24Å; E943-Q1034 PolarHBondContact N-O 3.01Å
944	E	92.7	Very high	90.2	Very high	15 Å²	15	21.6 Å²	21.6	7%	0.07	12%	0.117	C	C	.	.	H	α-helix	trans	-66	-50	176.8	-63.6	81.3	-179.3	0	0	110.1	T947 I948 L986 S1035 I1036 G1037 V1043	E944-T947 WeakPolarHBondContact O-CB 3.26Å; E944-T947 PolarHBondContact O-N 3.49Å; E944-T947 VanDerWaalsContact O-N 3.16Å; E944-I948 WeakPolarHBondContact O-CG1 3.44Å; E944-I948 PolarHBondContact O-N 3.1Å; E944-L986 HydrophobicContact CB-CD2 3.79Å; E944-L986 HydrophobicContact CG-CD2 4Å; E944-S1035 WeakPolarHBondContact OE1-CA 3.29Å; E944-S1035 WeakPolarHBondContact OE1-CB 3.04Å; E944-S1035 PolarHBondContact OE1-OG 2.93Å; E944-S1035 WeakPolarHBondContact OE2-CA 3.37Å; E944-I1036 PolarHBondContact OE1-N 3.27Å; E944-I1036 VanDerWaalsContact OE1-N 3.08Å; E944-G1037 PolarHBondContact OE1-N 3.29Å; E944-V1043 HydrophobicContact CB-CG2 4.29Å
945	I	94.1	Very high	89.3	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-66.2	-42.6	179.6	-68.3	-66.9	0	0	0	111.9	L932 L933 C941 T947 I948 V949 V1043 C1046 L1047	L932-I945 HydrophobicContact CD1-CD1 4.17Å; L932-I945 HydrophobicContact CD1-CG2 4.38Å; L932-I945 HydrophobicContact CD2-CG2 4.18Å; L932-I945 HydrophobicContact CG-CD1 4.4Å; L932-I945 HydrophobicContact CG-CG2 3.69Å; L933-I945 HydrophobicContact CD2-CG2 4.37Å; C941-I945 WeakPolarHBondContact O-CB 3.33Å; C941-I945 WeakPolarHBondContact O-CG1 3.42Å; C941-I945 PolarHBondContact O-N 3.05Å; C941-I945 VanDerWaalsContact O-N 3.09Å; I945-T947 PolarHBondContact O-N 2.9Å; I945-I948 HydrophobicContact CD1-CD1 4.32Å; I945-I948 PolarHBondContact O-N 3.16Å; I945-I948 VanDerWaalsContact O-N 3.11Å; I945-V949 HydrophobicContact CG2-CG2 4.08Å; I945-V949 WeakPolarHBondContact O-CB 3.35Å; I945-V949 WeakPolarHBondContact O-CG2 3.23Å; I945-V949 PolarHBondContact O-N 2.9Å; I945-V1043 HydrophobicContact CD1-CG1 3.88Å; I945-C1046 HydrophobicContact CD1-CB 4.36Å; I945-L1047 HydrophobicContact CD1-CD2 4.36Å; I945-L1047 HydrophobicContact CD1-CG 4.29Å
946	L	93.5	Very high	88.6	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-54.1	-38.7	172.2	171.6	62.1	0	0	0	111.6	L933 S942 S950 R1019 M1022 K1023 M1026 L1033	L933-L946 HydrophobicContact CD2-CB 4.33Å; L933-L946 HydrophobicContact CD2-CD1 4.28Å; S942-L946 WeakPolarHBondContact O-CB 3.37Å; S942-L946 PolarHBondContact O-N 3.31Å; L946-S950 WeakPolarHBondContact O-CB 3.3Å; L946-S950 PolarHBondContact O-N 3.24Å; L946-S950 VanDerWaalsContact O-N 3.11Å; L946-S950 PolarHBondContact O-OG 3.4Å; L946-R1019 HydrophobicContact CD1-CG 4.36Å; L946-R1019 HydrophobicContact CD2-CG 4.29Å; L946-R1019 HydrophobicContact CG-CG 3.9Å; L946-M1022 HydrophobicContact CD1-CB 3.43Å; L946-M1022 VanDerWaalsContact CD1-CB 3.43Å; L946-K1023 HydrophobicContact CD2-CB 4.07Å; L946-K1023 HydrophobicContact CD2-CG 4.24Å; L946-M1026 HydrophobicContact CD1-SD 4.01Å; L946-M1026 HydrophobicContact CD2-SD 4.4Å; L946-L1033 HydrophobicContact CD2-CD2 4.02Å
947	T	93.2	Very high	88.2	Confident	3 Å²	3	21.7 Å²	21.7	2%	0.018	12%	0.12	C	C	.	.	H	α-helix	trans	-71.8	-42.6	177.5	-55.6	0	0	0	0	111.8	E943 E944 I945 S950 M951 L986 F989 R1019	E943-T947 WeakPolarHBondContact O-CB 3.49Å; E943-T947 PolarHBondContact O-N 2.99Å; E943-T947 PolarHBondContact O-OG1 2.89Å; E944-T947 WeakPolarHBondContact O-CB 3.26Å; E944-T947 PolarHBondContact O-N 3.49Å; E944-T947 VanDerWaalsContact O-N 3.16Å; I945-T947 PolarHBondContact O-N 2.9Å; T947-S950 PolarHBondContact O-N 3.39Å; T947-M951 WeakPolarHBondContact O-CG 3.43Å; T947-M951 PolarHBondContact O-N 2.88Å; T947-L986 HydrophobicContact CG2-CD1 3.7Å; T947-F989 HydrophobicContact CG2-CB 3.65Å; T947-F989 HydrophobicContact CG2-CD1 3.27Å; T947-F989 HydrophobicContact CG2-CD2 4.26Å; T947-F989 HydrophobicContact CG2-CE1 3.92Å; T947-F989 HydrophobicContact CG2-CG 3.46Å; T947-F989 VanDerWaalsContact CG2-CG 3.46Å; T947-R1019 PolarHBondContact OG1-NE 2.85Å
948	I	93.5	Very high	87.9	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.5	-45.9	175.5	-69.4	165	0	0	0	111.2	E944 I945 S950 M951 L952 H982 L986 V1043	E944-I948 WeakPolarHBondContact O-CG1 3.44Å; E944-I948 PolarHBondContact O-N 3.1Å; I945-I948 HydrophobicContact CD1-CD1 4.32Å; I945-I948 PolarHBondContact O-N 3.16Å; I945-I948 VanDerWaalsContact O-N 3.11Å; I948-S950 VanDerWaalsContact C-N 3.3Å; I948-S950 PolarHBondContact O-N 3.01Å; I948-M951 WeakPolarHBondContact O-CA 3.49Å; I948-M951 VanDerWaalsContact O-CB 3.32Å; I948-M951 WeakPolarHBondContact O-CB 3.35Å; I948-M951 PolarHBondContact O-N 2.67Å; I948-M951 VanDerWaalsContact O-N 3.12Å; I948-L952 HydrophobicContact CG2-CD1 4.08Å; I948-L952 HydrophobicContact CG2-CG 4.33Å; I948-L952 WeakPolarHBondContact O-CG 3.49Å; I948-L952 PolarHBondContact O-N 3.35Å; I948-H982 HydrophobicContact CD1-CB 4.47Å; I948-H982 HydrophobicContact CG2-CB 4.21Å; I948-L986 HydrophobicContact CD1-CB 4.38Å; I948-L986 HydrophobicContact CD1-CD2 4.17Å; I948-L986 HydrophobicContact CG1-CB 4.05Å; I948-V1043 HydrophobicContact CD1-CG1 3.85Å
949	V	93	Very high	87.4	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-62.6	-38.6	177.9	170.6	0	0	0	0	111.2	L925 L929 L932 L933 I945 M951 L952 S953	L925-V949 HydrophobicContact CD1-CG1 3.59Å; L929-V949 HydrophobicContact CB-CG1 4.23Å; L929-V949 HydrophobicContact CD2-CG1 4.49Å; L929-V949 HydrophobicContact CD2-CG2 4.26Å; L932-V949 HydrophobicContact CD2-CG2 3.81Å; L932-V949 HydrophobicContact CG-CG2 4.34Å; L933-V949 HydrophobicContact CD1-CG1 4.18Å; L933-V949 HydrophobicContact CD2-CB 4.02Å; L933-V949 HydrophobicContact CD2-CG1 4.2Å; L933-V949 HydrophobicContact CD2-CG2 3.92Å; L933-V949 HydrophobicContact CG-CB 4.39Å; L933-V949 HydrophobicContact CG-CG1 4.14Å; L933-V949 HydrophobicContact CG-CG2 4.11Å; I945-V949 HydrophobicContact CG2-CG2 4.08Å; I945-V949 WeakPolarHBondContact O-CB 3.35Å; I945-V949 WeakPolarHBondContact O-CG2 3.23Å; I945-V949 PolarHBondContact O-N 2.9Å; V949-M951 VanDerWaalsContact C-N 3.33Å; V949-L952 PolarHBondContact O-N 2.87Å; V949-S953 WeakPolarHBondContact O-CB 3.36Å; V949-S953 PolarHBondContact O-N 2.77Å; V949-S953 PolarHBondContact O-OG 2.78Å
950	S	91.7	Very high	86.7	Confident	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-67	-34.5	174.8	-56	0	0	0	0	112.6	L946 T947 I948 R1019	L946-S950 WeakPolarHBondContact O-CB 3.3Å; L946-S950 PolarHBondContact O-N 3.24Å; L946-S950 VanDerWaalsContact O-N 3.11Å; L946-S950 PolarHBondContact O-OG 3.4Å; T947-S950 PolarHBondContact O-N 3.39Å; I948-S950 VanDerWaalsContact C-N 3.3Å; I948-S950 PolarHBondContact O-N 3.01Å; S950-R1019 WeakPolarHBondContact OG-CA 3.44Å; S950-R1019 VanDerWaalsContact OG-CB 3.29Å; S950-R1019 WeakPolarHBondContact OG-CB 3.32Å; S950-R1019 PolarHBondContact OG-N 2.96Å
951	M	90.4	Very high	85.8	Confident	4 Å²	4	12.1 Å²	12.1	2%	0.02	7%	0.067	C	C	.	.	H	α-helix	trans	-67.5	-45.3	172.7	-82	-78.9	179.5	0	0	112.4	T947 I948 V949 S953 V954 V957 L985 V988 F989 M1012 I1015	T947-M951 WeakPolarHBondContact O-CG 3.43Å; T947-M951 PolarHBondContact O-N 2.88Å; I948-M951 WeakPolarHBondContact O-CA 3.49Å; I948-M951 VanDerWaalsContact O-CB 3.32Å; I948-M951 WeakPolarHBondContact O-CB 3.35Å; I948-M951 PolarHBondContact O-N 2.67Å; I948-M951 VanDerWaalsContact O-N 3.12Å; V949-M951 VanDerWaalsContact C-N 3.33Å; M951-S953 VanDerWaalsContact C-N 3.32Å; M951-S953 PolarHBondContact O-N 3.24Å; M951-V954 PolarHBondContact O-N 3.01Å; M951-V954 VanDerWaalsContact O-O 3.07Å; M951-V957 HydrophobicContact CE-CG2 4.42Å; M951-V957 HydrophobicContact SD-CG2 3.62Å; M951-L985 HydrophobicContact CB-CB 4.13Å; M951-L985 HydrophobicContact CB-CD1 4.3Å; M951-L985 HydrophobicContact CG-CB 4.11Å; M951-L985 HydrophobicContact SD-CB 4.3Å; M951-L985 HydrophobicContact SD-CD2 4.28Å; M951-V988 HydrophobicContact CE-CG1 4.39Å; M951-F989 HydrophobicContact CE-CB 3.6Å; M951-F989 HydrophobicContact CE-CD2 3.9Å; M951-F989 HydrophobicContact CE-CG 4.22Å; M951-M1012 HydrophobicContact CE-CE 3.82Å; M951-M1012 HydrophobicContact CE-SD 3.84Å; M951-I1015 HydrophobicContact CE-CD1 3.99Å; M951-I1015 HydrophobicContact CE-CG2 4.35Å; M951-I1015 HydrophobicContact CG-CG2 4.3Å; M951-I1015 HydrophobicContact SD-CD1 3.51Å; M951-I1015 VanDerWaalsContact SD-CD1 3.51Å; M951-I1015 HydrophobicContact SD-CG1 4.42Å; M951-I1015 HydrophobicContact SD-CG2 4.42Å
952	L	89.4	Confident	84.4	Confident	22 Å²	22	17.7 Å²	17.7	12%	0.115	9%	0.091	C	C	.	.	H	α-helix	trans	-69.4	-28.1	178.8	-66.8	176.9	0	0	0	113	L929 I948 V949 V954 L985 C1106	L929-L952 HydrophobicContact CD2-CB 4.44Å; L929-L952 HydrophobicContact CD2-CD1 3.86Å; I948-L952 HydrophobicContact CG2-CD1 4.08Å; I948-L952 HydrophobicContact CG2-CG 4.33Å; I948-L952 WeakPolarHBondContact O-CG 3.49Å; I948-L952 PolarHBondContact O-N 3.35Å; V949-L952 PolarHBondContact O-N 2.87Å; L952-V954 PolarHBondContact O-N 3.25Å; L952-L985 HydrophobicContact CD2-CD1 4.1Å; L952-C1106 HydrophobicContact CD2-CB 4.26Å
953	S	83.9	Confident	83.2	Confident	40 Å²	40	20.1 Å²	20.1	28%	0.28	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-2.5	179.3	-58.9	0	0	0	0	114.2	V949 M951	V949-S953 WeakPolarHBondContact O-CB 3.36Å; V949-S953 PolarHBondContact O-N 2.77Å; V949-S953 PolarHBondContact O-OG 2.78Å; M951-S953 VanDerWaalsContact C-N 3.32Å; M951-S953 PolarHBondContact O-N 3.24Å
954	V	80.7	Confident	82.4	Confident	7 Å²	7	23.4 Å²	23.4	4%	0.042	13%	0.126	C	C	.	.	S	Bend	trans	-123.9	145.4	180	175.3	0	0	0	0	108.1	M951 L952 A1011 K1014 I1015 V1018	M951-V954 PolarHBondContact O-N 3.01Å; M951-V954 VanDerWaalsContact O-O 3.07Å; L952-V954 PolarHBondContact O-N 3.25Å; V954-A1011 HydrophobicContact CG1-CB 4.07Å; V954-K1014 HydrophobicContact CG1-CB 4.42Å; V954-K1014 HydrophobicContact CG1-CD 4.09Å; V954-K1014 HydrophobicContact CG1-CG 4.44Å; V954-K1014 HydrophobicContact CG2-CB 4.3Å; V954-K1014 HydrophobicContact CG2-CD 4.03Å; V954-K1014 HydrophobicContact CG2-CG 3.83Å; V954-I1015 HydrophobicContact CB-CD1 4.3Å; V954-I1015 HydrophobicContact CB-CG1 3.69Å; V954-I1015 HydrophobicContact CG1-CD1 4.25Å; V954-I1015 HydrophobicContact CG1-CG1 3.93Å; V954-I1015 HydrophobicContact CG2-CG1 3.7Å; V954-V1018 HydrophobicContact CG2-CG2 4.47Å
955	P	72.3	Confident	81.3	Confident	13 Å²	13	23.4 Å²	23.4	8%	0.084	13%	0.126	C	C	.	.	S	Bend	trans	-63.5	165.1	-179.9	-20.9	31.9	0	0	0	113.5	M300 D301 V957	M300-P955 HydrophobicContact CB-CB 3.23Å; M300-P955 HydrophobicContact CB-CG 4Å; M300-P955 HydrophobicContact CG-CB 4.37Å; M300-P955 WeakPolarHBondContact O-CB 3.42Å; M300-P955 WeakPolarHBondContact O-CG 3.49Å; D301-P955 HydrophobicContact CB-CG 4.19Å; D301-P955 VanDerWaalsContact OD1-CD 3.29Å; D301-P955 WeakPolarHBondContact OD1-CD 3.23Å; D301-P955 WeakPolarHBondContact OD1-CG 3.39Å; P955-V957 PolarHBondContact O-N 2.95Å; P955-V957 VanDerWaalsContact O-N 3.16Å
956	S	76.9	Confident	80.5	Confident	19 Å²	19	29.3 Å²	29.3	13%	0.133	15%	0.153	C	C	.	.			trans	-37.9	116.3	-173.3	178.3	0	0	0	0	113.8	F958	S956-F958 VanDerWaalsContact C-N 3.33Å; S956-F958 PolarHBondContact O-N 3.49Å; S956-F958 PolarHBondContact OG-O 2.74Å; S956-F958 VanDerWaalsContact OG-O 3.1Å
957	V	83.2	Confident	79.8	Confident	4 Å²	4	34.3 Å²	34.3	2%	0.024	18%	0.177	C	C	.	.	S	Bend	trans	-66.6	-35.8	177.9	177.8	0	0	0	0	112.3	M951 P955 V988 L1007 H1008 A1011 M1012 I1015	M951-V957 HydrophobicContact CE-CG2 4.42Å; M951-V957 HydrophobicContact SD-CG2 3.62Å; P955-V957 PolarHBondContact O-N 2.95Å; P955-V957 VanDerWaalsContact O-N 3.16Å; V957-V988 HydrophobicContact CG1-CG1 4.33Å; V957-L1007 HydrophobicContact CG1-CB 4.19Å; V957-L1007 HydrophobicContact CG1-CD2 4.07Å; V957-L1007 WeakPolarHBondContact O-CA 3.28Å; V957-H1008 PolarHBondContact O-N 2.83Å; V957-A1011 HydrophobicContact CG2-CB 4.32Å; V957-M1012 HydrophobicContact CB-SD 4.46Å; V957-M1012 HydrophobicContact CG1-CG 4.15Å; V957-M1012 HydrophobicContact CG1-SD 3.34Å; V957-M1012 WeakPolarHBondContact CG1-SD 3.37Å; V957-M1012 HydrophobicContact CG2-SD 4.26Å; V957-I1015 HydrophobicContact CG2-CD1 3.44Å; V957-I1015 VanDerWaalsContact CG2-CD1 3.44Å
958	F	83.7	Confident	79	Confident	23 Å²	23	34.4 Å²	34.4	10%	0.101	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-76.2	132.5	179.4	-58.4	-75.2	0	0	0	110.5	F311 S956 R972 T984 L985 V988 L1007	F311-F958 HydrophobicContact CE2-CB 4.12Å; F311-F958 HydrophobicContact CZ-CB 4.05Å; S956-F958 VanDerWaalsContact C-N 3.33Å; S956-F958 PolarHBondContact O-N 3.49Å; S956-F958 PolarHBondContact OG-O 2.74Å; S956-F958 VanDerWaalsContact OG-O 3.1Å; F958-R972 HydrophobicContact CD1-CB 4.4Å; F958-R972 HydrophobicContact CD1-CG 4.12Å; F958-R972 HydrophobicContact CE1-CB 4.35Å; F958-R972 HydrophobicContact CE1-CG 3.87Å; F958-R972 HydrophobicContact CZ-CG 4.17Å; F958-T984 HydrophobicContact CZ-CG2 4.14Å; F958-L985 HydrophobicContact CE2-CD2 4.03Å; F958-V988 HydrophobicContact CE1-CG2 3.86Å; F958-V988 HydrophobicContact CZ-CG2 3.65Å; F958-L1007 HydrophobicContact CD1-CD2 3.65Å; F958-L1007 HydrophobicContact CE1-CD2 3.78Å
959	Y	76.7	Confident	78.4	Confident	8 Å²	8	35.2 Å²	35.2	3%	0.031	18%	0.182	C	C	.	.			trans	-114.3	149.6	167.3	72.3	-98.8	0	0	0	110.8	L293 P961 S968 F1006 L1007 H1008	L293-Y959 HydrophobicContact CD1-CE1 3.72Å; L293-Y959 HydrophobicContact CD1-CE2 3.89Å; L293-Y959 VanDerWaalsContact CD1-OH 3.31Å; L293-Y959 WeakPolarHBondContact CD1-OH 3.38Å; L293-Y959 HydrophobicContact CD2-CD1 3.98Å; L293-Y959 HydrophobicContact CD2-CD2 3.29Å; L293-Y959 HydrophobicContact CD2-CE1 3.91Å; L293-Y959 HydrophobicContact CD2-CE2 3.22Å; L293-Y959 HydrophobicContact CD2-CG 3.69Å; L293-Y959 HydrophobicContact CG-CE1 4.39Å; L293-Y959 HydrophobicContact CG-CE2 4.18Å; Y959-P961 HydrophobicContact CD2-CG 3.6Å; Y959-P961 HydrophobicContact CE2-CG 3.47Å; Y959-P961 VanDerWaalsContact CE2-CG 3.47Å; Y959-S968 PolarHBondContact O-OG 2.99Å; Y959-F1006 VanDerWaalsContact CD1-O 3.23Å; Y959-F1006 WeakPolarHBondContact CD1-O 3.4Å; Y959-F1006 HydrophobicContact CD2-CB 4.32Å; Y959-F1006 HydrophobicContact CD2-CD1 4.33Å; Y959-F1006 VanDerWaalsContact CE1-CA 3.44Å; Y959-F1006 HydrophobicContact CE1-CB 4.26Å; Y959-F1006 HydrophobicContact CE2-CB 4.04Å; Y959-F1006 AromaticContact CE2-CD1 3.59Å; Y959-F1006 HydrophobicContact CE2-CD1 3.59Å; Y959-F1006 HydrophobicContact CE2-CG 4.29Å; Y959-F1006 VanDerWaalsContact CZ-CA 3.48Å; Y959-F1006 AromaticContact CZ-CD1 3.98Å; Y959-F1006 PolarHBondContact N-O 2.83Å; Y959-L1007 VanDerWaalsContact CE1-N 3.29Å; Y959-L1007 WeakPolarHBondContact CE1-O 3.27Å; Y959-H1008 WeakPolarHBondContact CB-NE2 3.32Å; Y959-H1008 AromaticContact CD1-ND1 3.92Å
960	R	73.1	Confident	78	Confident	19 Å²	19	39.6 Å²	39.6	7%	0.072	21%	0.205	C	C	.	.			trans	-126.7	93.8	-176.8	-159.9	-168.3	-164	-132.2	-1.6	109.5	P310 F311 K962 E965 D969	P310-R960 HydrophobicContact CB-CB 3.93Å; F311-R960 HydrophobicContact CD1-CB 4.46Å; F311-R960 HydrophobicContact CE1-CB 3.95Å; F311-R960 HydrophobicContact CE1-CG 4.03Å; F311-R960 HydrophobicContact CZ-CB 4.15Å; R960-K962 PolarHBondContact O-N 3.02Å; R960-E965 HydrophobicContact CG-CB 4.43Å; R960-E965 HydrophobicContact CG-CG 4.18Å; R960-E965 IonicContact CZ-OE2 2.77Å; R960-E965 IonicContact NH1-OE2 2.74Å; R960-E965 PolarHBondContact NH1-OE2 3.3Å; R960-E965 IonicContact NH2-OE2 3.12Å; R960-D969 IonicContact CZ-OD2 2.85Å; R960-D969 IonicContact NE-OD1 2.9Å; R960-D969 IonicContact NE-OD2 3.84Å; R960-D969 IonicContact NH2-OD1 3.39Å; R960-D969 IonicContact NH2-OD2 2.64Å; R960-D969 PolarHBondContact NH2-OD2 2.78Å
961	P	68.1	Low	77.7	Confident	23 Å²	23	39.9 Å²	39.9	15%	0.149	21%	0.207	C	C	.	.			trans	-63	131.3	-177.8	-23.4	35.4	0	0	0	110.8	Y959 G963 R964 E965 F1006	Y959-P961 HydrophobicContact CD2-CG 3.6Å; Y959-P961 HydrophobicContact CE2-CG 3.47Å; Y959-P961 VanDerWaalsContact CE2-CG 3.47Å; P961-G963 PolarHBondContact O-N 3.42Å; P961-R964 HydrophobicContact CB-CB 4.27Å; P961-R964 PolarHBondContact O-N 2.96Å; P961-R964 VanDerWaalsContact O-N 3.08Å; P961-E965 PolarHBondContact O-N 3.46Å; P961-F1006 HydrophobicContact CG-CD1 3.72Å; P961-F1006 HydrophobicContact CG-CE1 3.91Å
962	K	60.7	Low	77.4	Confident	116 Å²	116	40.3 Å²	40.3	50%	0.504	21%	0.209	S	C	.	.	S	Bend	trans	-65.2	99.4	173.8	-68.3	175.5	177.3	174.8	0	108.8	D313 R960	D313-K962 VanDerWaalsContact OD2-CE 3.24Å; D313-K962 WeakPolarHBondContact OD2-CE 3.47Å; D313-K962 IonicContact OD2-NZ 3.32Å; D313-K962 PolarHBondContact OD2-NZ 3.04Å; R960-K962 PolarHBondContact O-N 3.02Å
963	G	65.5	Low	77.1	Confident	51 Å²	51	44.7 Å²	44.7	53%	0.526	23%	0.229	S	C	.	.	S	Bend	trans	131.2	-48.4	-172.2	0	0	0	0	0	113	P961 E965	P961-G963 PolarHBondContact O-N 3.42Å; G963-E965 VanDerWaalsContact C-N 3.34Å; G963-E965 PolarHBondContact O-N 3.38Å
964	R	73.3	Confident	77.2	Confident	124 Å²	124	49.8 Å²	49.8	47%	0.468	25%	0.246	S	C	.	.			trans	-98.6	36.6	177.6	-65.3	179.2	176.1	155.9	-3.5	112.2	E289 P961 E967 S968 F1006	E289-R964 IonicContact OE1-NH1 2.72Å; E289-R964 IonicContact OE2-NH1 3.17Å; P961-R964 HydrophobicContact CB-CB 4.27Å; P961-R964 PolarHBondContact O-N 2.96Å; P961-R964 VanDerWaalsContact O-N 3.08Å; R964-E967 HydrophobicContact CB-CB 4.39Å; R964-E967 VanDerWaalsContact CD-OE2 3.31Å; R964-E967 WeakPolarHBondContact CD-OE2 3.32Å; R964-E967 WeakPolarHBondContact CG-OE2 3.38Å; R964-E967 IonicContact NE-OE2 2.64Å; R964-E967 PolarHBondContact O-N 2.71Å; R964-S968 WeakPolarHBondContact O-CB 3.38Å; R964-S968 PolarHBondContact O-N 2.77Å; R964-F1006 HydrophobicContact CB-CE1 4.15Å; R964-F1006 HydrophobicContact CB-CZ 4.32Å
965	E	71	Confident	77.4	Confident	15 Å²	15	49.4 Å²	49.4	7%	0.07	24%	0.244	C	C	.	.	H	α-helix	trans	-63.7	-42.4	-174.6	-74.9	176.7	-138.7	0	0	112.7	K442 R960 P961 G963 D969	K442-E965 WeakPolarHBondContact CE-OE1 3.06Å; K442-E965 IonicContact NZ-OE1 3.15Å; K442-E965 PolarHBondContact NZ-OE1 2.87Å; K442-E965 IonicContact NZ-OE2 3.41Å; K442-E965 PolarHBondContact NZ-OE2 2.91Å; R960-E965 HydrophobicContact CG-CB 4.43Å; R960-E965 HydrophobicContact CG-CG 4.18Å; R960-E965 IonicContact CZ-OE2 2.77Å; R960-E965 IonicContact NH1-OE2 2.74Å; R960-E965 PolarHBondContact NH1-OE2 3.3Å; R960-E965 IonicContact NH2-OE2 3.12Å; P961-E965 PolarHBondContact O-N 3.46Å; G963-E965 VanDerWaalsContact C-N 3.34Å; G963-E965 PolarHBondContact O-N 3.38Å; E965-D969 WeakPolarHBondContact O-CB 3.48Å; E965-D969 PolarHBondContact O-N 2.9Å
966	E	75.9	Confident	78	Confident	124 Å²	124	51.2 Å²	51.2	58%	0.579	25%	0.251	S	S	*	.	H	α-helix	trans	-73.3	-35.2	-179.2	-61	-166.3	162.3	0	0	111.7	D969 N970	E966-D969 PolarHBondContact O-N 2.85Å; E966-N970 VanDerWaalsContact O-CB 3.3Å; E966-N970 WeakPolarHBondContact O-CB 3.47Å; E966-N970 PolarHBondContact O-N 3.35Å; E966-N970 PolarHBondContact O-ND2 2.8Å; E966-N970 VanDerWaalsContact O-ND2 3.14Å
967	E	78.9	Confident	78.4	Confident	106 Å²	106	51.8 Å²	51.8	50%	0.495	25%	0.254	S	S	.	.	H	α-helix	trans	-64.4	-44.2	173.1	-66.4	174.2	-174.8	0	0	112	R964 N970 A971 F1006	R964-E967 HydrophobicContact CB-CB 4.39Å; R964-E967 VanDerWaalsContact CD-OE2 3.31Å; R964-E967 WeakPolarHBondContact CD-OE2 3.32Å; R964-E967 WeakPolarHBondContact CG-OE2 3.38Å; R964-E967 IonicContact NE-OE2 2.64Å; R964-E967 PolarHBondContact O-N 2.71Å; E967-N970 PolarHBondContact O-N 2.77Å; E967-A971 VanDerWaalsContact O-CB 3.29Å; E967-A971 WeakPolarHBondContact O-CB 3.4Å; E967-A971 PolarHBondContact O-N 3.41Å; E967-F1006 HydrophobicContact CB-CE2 3.89Å; E967-F1006 HydrophobicContact CB-CZ 3.81Å
968	S	78	Confident	78.3	Confident	4 Å²	4	55.2 Å²	55.2	3%	0.028	28%	0.276	C	S	.	.	H	α-helix	trans	-62.5	-43.7	174.8	170.8	0	0	0	0	111.8	Y959 R964 A971 R972	Y959-S968 PolarHBondContact O-OG 2.99Å; R964-S968 WeakPolarHBondContact O-CB 3.38Å; R964-S968 PolarHBondContact O-N 2.77Å; S968-A971 PolarHBondContact O-N 3.22Å; S968-R972 WeakPolarHBondContact O-CB 3.42Å; S968-R972 PolarHBondContact O-N 2.81Å
969	D	81.1	Confident	78.3	Confident	17 Å²	17	57.7 Å²	57.7	9%	0.091	29%	0.288	C	S	.	.	H	α-helix	trans	-63.1	-44.8	174.8	-77.1	-25.8	0	0	0	112	Y318 R960 E965 E966 A971 R972 E973	Y318-D969 PolarHBondContact OH-OD2 2.77Å; R960-D969 IonicContact CZ-OD2 2.85Å; R960-D969 IonicContact NE-OD1 2.9Å; R960-D969 IonicContact NE-OD2 3.84Å; R960-D969 IonicContact NH2-OD1 3.39Å; R960-D969 IonicContact NH2-OD2 2.64Å; R960-D969 PolarHBondContact NH2-OD2 2.78Å; E965-D969 WeakPolarHBondContact O-CB 3.48Å; E965-D969 PolarHBondContact O-N 2.9Å; E966-D969 PolarHBondContact O-N 2.85Å; D969-A971 VanDerWaalsContact C-N 3.34Å; D969-A971 PolarHBondContact O-N 3.31Å; D969-R972 PolarHBondContact O-N 2.85Å; D969-R972 IonicContact OD1-CZ 3.69Å; D969-R972 IonicContact OD1-NE 2.66Å; D969-R972 IonicContact OD1-NH2 2.69Å; D969-R972 PolarHBondContact OD1-NH2 3.48Å; D969-E973 PolarHBondContact O-N 2.7Å
970	N	84.4	Confident	78.9	Confident	92 Å²	92	57.3 Å²	57.3	49%	0.492	29%	0.286	S	S	.	.	H	α-helix	trans	-66.1	-33.5	176.7	-69.3	-22.5	0	0	0	112.7	E966 E967	E966-N970 VanDerWaalsContact O-CB 3.3Å; E966-N970 WeakPolarHBondContact O-CB 3.47Å; E966-N970 PolarHBondContact O-N 3.35Å; E966-N970 PolarHBondContact O-ND2 2.8Å; E966-N970 VanDerWaalsContact O-ND2 3.14Å; E967-N970 PolarHBondContact O-N 2.77Å
971	A	84.6	Confident	79.6	Confident	6 Å²	6	57.2 Å²	57.2	5%	0.05	29%	0.287	C	S	.	.	H	α-helix	trans	-69.6	-39.4	173.7	0	0	0	0	0	111.3	E967 S968 D969 F975 F1006	E967-A971 VanDerWaalsContact O-CB 3.29Å; E967-A971 WeakPolarHBondContact O-CB 3.4Å; E967-A971 PolarHBondContact O-N 3.41Å; S968-A971 PolarHBondContact O-N 3.22Å; D969-A971 VanDerWaalsContact C-N 3.34Å; D969-A971 PolarHBondContact O-N 3.31Å; A971-F975 WeakPolarHBondContact O-CD2 3.19Å; A971-F975 WeakPolarHBondContact O-CE2 3Å; A971-F1006 HydrophobicContact CB-CD2 3.78Å; A971-F1006 HydrophobicContact CB-CE2 4.28Å
972	R	83.2	Confident	80.8	Confident	13 Å²	13	56.1 Å²	56.1	5%	0.049	28%	0.28	C	S	.	.	H	α-helix	trans	-66.2	-41.9	175.1	179.7	173.4	59.8	171.8	-7.1	112.5	F311 F958 S968 D969 K974 F975 Q976 T1078	F311-R972 VanDerWaalsContact CE1-CZ 3.49Å; F958-R972 HydrophobicContact CD1-CB 4.4Å; F958-R972 HydrophobicContact CD1-CG 4.12Å; F958-R972 HydrophobicContact CE1-CB 4.35Å; F958-R972 HydrophobicContact CE1-CG 3.87Å; F958-R972 HydrophobicContact CZ-CG 4.17Å; S968-R972 WeakPolarHBondContact O-CB 3.42Å; S968-R972 PolarHBondContact O-N 2.81Å; D969-R972 PolarHBondContact O-N 2.85Å; D969-R972 IonicContact OD1-CZ 3.69Å; D969-R972 IonicContact OD1-NE 2.66Å; D969-R972 IonicContact OD1-NH2 2.69Å; D969-R972 PolarHBondContact OD1-NH2 3.48Å; R972-K974 PolarHBondContact O-N 2.85Å; R972-K974 VanDerWaalsContact O-N 3.15Å; R972-F975 PolarHBondContact O-N 2.64Å; R972-Q976 HydrophobicContact CG-CG 4.26Å; R972-Q976 PolarHBondContact O-N 3.28Å; R972-T1078 PolarHBondContact NH1-O 3.49Å
973	E	83.7	Confident	82.2	Confident	115 Å²	115	50.7 Å²	50.7	54%	0.537	26%	0.257	S	S	.	.	H	α-helix	trans	-56	-31.7	179.4	-169.3	171.9	-162.7	0	0	112	D969 F975 Q976	D969-E973 PolarHBondContact O-N 2.7Å; E973-F975 PolarHBondContact O-N 2.74Å; E973-Q976 PolarHBondContact O-N 2.9Å
974	K	85.6	Confident	83.4	Confident	146 Å²	146	48.5 Å²	48.5	64%	0.635	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-22.4	174.8	-62.3	169.7	-172.1	174.4	0	114.5	R972	R972-K974 PolarHBondContact O-N 2.85Å; R972-K974 VanDerWaalsContact O-N 3.15Å
975	F	85.4	Confident	84.3	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-17.6	176.7	-59.5	-79.2	0	0	0	113.2	A971 R972 E973 V977 T984 N987 V988 Q991 F1001 H1005	A971-F975 WeakPolarHBondContact O-CD2 3.19Å; A971-F975 WeakPolarHBondContact O-CE2 3Å; R972-F975 PolarHBondContact O-N 2.64Å; E973-F975 PolarHBondContact O-N 2.74Å; F975-V977 PolarHBondContact O-N 3.24Å; F975-T984 HydrophobicContact CB-CG2 4.35Å; F975-N987 PolarHBondContact O-ND2 3.48Å; F975-V988 HydrophobicContact CB-CG2 3.74Å; F975-V988 HydrophobicContact CD1-CB 4.43Å; F975-V988 HydrophobicContact CD1-CG2 3.73Å; F975-V988 HydrophobicContact CD2-CG2 4.13Å; F975-V988 HydrophobicContact CE1-CG2 4.34Å; F975-V988 HydrophobicContact CG-CG2 3.61Å; F975-Q991 HydrophobicContact CE1-CB 4.04Å; F975-Q991 HydrophobicContact CE1-CG 4.31Å; F975-Q991 VanDerWaalsContact CE1-OE1 3.23Å; F975-F1001 HydrophobicContact CE1-CE1 4.33Å; F975-F1001 AromaticContact CE1-CZ 3.87Å; F975-F1001 HydrophobicContact CE1-CZ 3.87Å; F975-F1001 HydrophobicContact CZ-CE1 4.11Å; F975-F1001 AromaticContact CZ-CZ 3.78Å; F975-F1001 HydrophobicContact CZ-CZ 3.78Å; F975-H1005 HydrophobicContact CE2-CB 3.79Å; F975-H1005 AromaticContact CE2-CG 3.76Å; F975-H1005 AromaticContact CE2-ND1 3.32Å; F975-H1005 VanDerWaalsContact CE2-ND1 3.32Å; F975-H1005 WeakPolarHBondContact CE2-ND1 3.3Å; F975-H1005 HydrophobicContact CZ-CB 3.84Å; F975-H1005 AromaticContact CZ-CE1 3.89Å; F975-H1005 AromaticContact CZ-CG 3.55Å; F975-H1005 AromaticContact CZ-ND1 3.31Å; F975-H1005 VanDerWaalsContact CZ-ND1 3.31Å; F975-H1005 WeakPolarHBondContact CZ-ND1 3.13Å
976	Q	84.1	Confident	85.3	Confident	50 Å²	50	43 Å²	43	23%	0.234	21%	0.213	C	C	.	.			trans	-63.7	121.7	-171.9	-79.3	179.3	-23.8	0	0	111.2	R972 E973 T984 A1080	R972-Q976 HydrophobicContact CG-CG 4.26Å; R972-Q976 PolarHBondContact O-N 3.28Å; E973-Q976 PolarHBondContact O-N 2.9Å; Q976-T984 HydrophobicContact CG-CG2 4.19Å; Q976-A1080 HydrophobicContact CB-CB 4.03Å; Q976-A1080 HydrophobicContact CG-CB 3.91Å
977	V	85.7	Confident	86	Confident	32 Å²	32	39 Å²	39	19%	0.194	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-90.5	116.6	167.5	178.5	0	0	0	0	106.7	F975 E979 S980 L983 T984 N987	F975-V977 PolarHBondContact O-N 3.24Å; V977-E979 PolarHBondContact O-N 2.93Å; V977-S980 PolarHBondContact O-N 2.83Å; V977-S980 VanDerWaalsContact O-N 3.08Å; V977-L983 HydrophobicContact CB-CB 3.92Å; V977-L983 HydrophobicContact CG1-CB 3.9Å; V977-L983 HydrophobicContact CG1-CD1 4.04Å; V977-L983 HydrophobicContact CG2-CB 3.93Å; V977-T984 PolarHBondContact N-OG1 3.06Å; V977-N987 HydrophobicContact CG2-CB 4.41Å
978	P	81.8	Confident	86.6	Confident	75 Å²	75	34 Å²	34	49%	0.487	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-27.3	-173	-33.7	38.9	0	0	0	115.6	L1081 M1084	P978-L1081 WeakPolarHBondContact O-CD2 3.18Å; P978-M1084 VanDerWaalsContact CA-CE 3.41Å; P978-M1084 HydrophobicContact CB-CE 3.74Å; P978-M1084 HydrophobicContact CB-SD 3.59Å; P978-M1084 VanDerWaalsContact CB-SD 3.59Å; P978-M1084 HydrophobicContact CG-SD 4.05Å; P978-M1084 WeakPolarHBondContact O-CE 3.44Å
979	E	83.6	Confident	87.3	Confident	76 Å²	76	33.9 Å²	33.9	36%	0.355	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-17	-174.2	-57.9	-177.1	114.1	0	0	113.3	V977 R1044 S1109	V977-E979 PolarHBondContact O-N 2.93Å; E979-R1044 VanDerWaalsContact CD-CZ 3.44Å; E979-R1044 VanDerWaalsContact CD-NH2 3.33Å; E979-R1044 IonicContact OE1-CZ 2.67Å; E979-R1044 IonicContact OE1-NH1 3.4Å; E979-R1044 PolarHBondContact OE1-NH1 3.4Å; E979-R1044 IonicContact OE1-NH2 2.64Å; E979-R1044 PolarHBondContact OE1-NH2 2.8Å; E979-R1044 IonicContact OE2-CZ 3.7Å; E979-R1044 IonicContact OE2-NH1 3.96Å; E979-R1044 PolarHBondContact OE2-NH1 2.84Å; E979-R1044 IonicContact OE2-NH2 3.65Å; E979-R1044 PolarHBondContact OE2-NH2 3.24Å; E979-S1109 PolarHBondContact O-N 3.24Å; E979-S1109 PolarHBondContact O-OG 2.82Å
980	S	88.4	Confident	87.7	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-162.7	128.7	-168.4	-178.4	0	0	0	0	115.2	V977 H982 L983 T984 T1108	V977-S980 PolarHBondContact O-N 2.83Å; V977-S980 VanDerWaalsContact O-N 3.08Å; S980-H982 VanDerWaalsContact C-N 3.32Å; S980-H982 WeakPolarHBondContact OG-CB 3.16Å; S980-H982 PolarHBondContact OG-N 3.22Å; S980-H982 VanDerWaalsContact OG-N 3.09Å; S980-L983 PolarHBondContact OG-N 2.96Å; S980-L983 VanDerWaalsContact OG-N 3.12Å; S980-T984 PolarHBondContact O-N 2.85Å; S980-T984 PolarHBondContact O-OG1 3.37Å; S980-T1108 PolarHBondContact OG-OG1 2.84Å
981	D	89.7	Confident	88	Confident	16 Å²	16	33 Å²	33	9%	0.086	17%	0.166	C	C	.	.	H	α-helix	trans	-67.1	-33.5	166.3	-64.5	-27.4	0	0	0	111.9	T984 L985 S1079 A1080 V1107	D981-T984 VanDerWaalsContact O-CB 3.3Å; D981-T984 WeakPolarHBondContact O-CB 2.92Å; D981-T984 PolarHBondContact O-N 3.34Å; D981-L985 WeakPolarHBondContact O-CG 3.26Å; D981-L985 PolarHBondContact O-N 3.49Å; D981-S1079 VanDerWaalsContact CG-OG 3.28Å; D981-S1079 WeakPolarHBondContact OD1-CA 3.48Å; D981-S1079 PolarHBondContact OD1-OG 2.79Å; D981-S1079 WeakPolarHBondContact OD2-CA 3.34Å; D981-S1079 WeakPolarHBondContact OD2-CB 3.26Å; D981-S1079 PolarHBondContact OD2-OG 3.44Å; D981-A1080 WeakPolarHBondContact OD1-CB 3.4Å; D981-A1080 PolarHBondContact OD1-N 2.95Å; D981-V1107 WeakPolarHBondContact CB-O 3.24Å; D981-V1107 PolarHBondContact N-O 3.18Å; D981-V1107 PolarHBondContact OD2-N 3.15Å
982	H	91.3	Very high	88.3	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.6	-43.7	177.2	-63.5	86.7	0	0	0	111.2	I948 S980 T984 L985 L986 L1047 C1106 T1108	I948-H982 HydrophobicContact CD1-CB 4.47Å; I948-H982 HydrophobicContact CG2-CB 4.21Å; S980-H982 VanDerWaalsContact C-N 3.32Å; S980-H982 WeakPolarHBondContact OG-CB 3.16Å; S980-H982 PolarHBondContact OG-N 3.22Å; S980-H982 VanDerWaalsContact OG-N 3.09Å; H982-T984 VanDerWaalsContact C-N 3.31Å; H982-L985 PolarHBondContact O-N 2.96Å; H982-L986 PolarHBondContact O-N 3.39Å; H982-L986 VanDerWaalsContact O-N 3.11Å; H982-L1047 HydrophobicContact CB-CD1 3.68Å; H982-C1106 PolarHBondContact CE1-O 2.66Å; H982-T1108 PolarHBondContact ND1-OG1 2.86Å
983	L	91.4	Very high	88.7	Confident	3 Å²	3	37 Å²	37	2%	0.016	18%	0.18	C	C	.	.	H	α-helix	trans	-69.4	-30.3	173.7	-59.6	178.6	0	0	0	111.9	V977 S980 L986 N987 W1040 V1043 R1044	V977-L983 HydrophobicContact CB-CB 3.92Å; V977-L983 HydrophobicContact CG1-CB 3.9Å; V977-L983 HydrophobicContact CG1-CD1 4.04Å; V977-L983 HydrophobicContact CG2-CB 3.93Å; S980-L983 PolarHBondContact OG-N 2.96Å; S980-L983 VanDerWaalsContact OG-N 3.12Å; L983-L986 HydrophobicContact CD2-CD2 4.33Å; L983-L986 PolarHBondContact O-N 2.85Å; L983-N987 WeakPolarHBondContact O-CB 3.38Å; L983-N987 PolarHBondContact O-N 3.41Å; L983-W1040 HydrophobicContact CD1-CB 3.89Å; L983-W1040 HydrophobicContact CD1-CD2 4.45Å; L983-W1040 HydrophobicContact CD1-CG 4.2Å; L983-W1040 HydrophobicContact CD2-CD2 4.37Å; L983-W1040 HydrophobicContact CD2-CE3 3.67Å; L983-W1040 HydrophobicContact CD2-CZ3 4.25Å; L983-V1043 HydrophobicContact CD2-CB 4.26Å; L983-V1043 HydrophobicContact CD2-CG1 3.87Å; L983-R1044 HydrophobicContact CD1-CG 4.39Å
984	T	91	Very high	89	Confident	5 Å²	5	40 Å²	40	3%	0.031	19%	0.191	C	C	.	.	H	α-helix	trans	-60.6	-45	171.4	-60.3	0	0	0	0	111.4	F958 F975 Q976 V977 S980 D981 H982 N987 V988	F958-T984 HydrophobicContact CZ-CG2 4.14Å; F975-T984 HydrophobicContact CB-CG2 4.35Å; Q976-T984 HydrophobicContact CG-CG2 4.19Å; V977-T984 PolarHBondContact N-OG1 3.06Å; S980-T984 PolarHBondContact O-N 2.85Å; S980-T984 PolarHBondContact O-OG1 3.37Å; D981-T984 VanDerWaalsContact O-CB 3.3Å; D981-T984 WeakPolarHBondContact O-CB 2.92Å; D981-T984 PolarHBondContact O-N 3.34Å; H982-T984 VanDerWaalsContact C-N 3.31Å; T984-N987 WeakPolarHBondContact O-CB 3.48Å; T984-N987 PolarHBondContact O-N 3.31Å; T984-V988 WeakPolarHBondContact O-CG2 3.23Å; T984-V988 PolarHBondContact O-N 2.9Å
985	L	91.1	Very high	89.1	Confident	18 Å²	18	35 Å²	35	9%	0.094	17%	0.174	C	C	.	.	H	α-helix	trans	-64	-39.5	175.1	-66.8	170.8	0	0	0	112.3	M951 L952 F958 D981 H982 V988 F989	M951-L985 HydrophobicContact CB-CB 4.13Å; M951-L985 HydrophobicContact CB-CD1 4.3Å; M951-L985 HydrophobicContact CG-CB 4.11Å; M951-L985 HydrophobicContact SD-CB 4.3Å; M951-L985 HydrophobicContact SD-CD2 4.28Å; L952-L985 HydrophobicContact CD2-CD1 4.1Å; F958-L985 HydrophobicContact CE2-CD2 4.03Å; D981-L985 WeakPolarHBondContact O-CG 3.26Å; D981-L985 PolarHBondContact O-N 3.49Å; H982-L985 PolarHBondContact O-N 2.96Å; L985-V988 PolarHBondContact O-N 2.88Å; L985-F989 PolarHBondContact O-N 2.88Å
986	L	91.6	Very high	89.1	Confident	4 Å²	4	37.8 Å²	37.8	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-64.6	-39.7	174.2	-177.8	60.3	0	0	0	112.3	E944 T947 I948 H982 L983 F989 T990 W1040	E944-L986 HydrophobicContact CB-CD2 3.79Å; E944-L986 HydrophobicContact CG-CD2 4Å; T947-L986 HydrophobicContact CG2-CD1 3.7Å; I948-L986 HydrophobicContact CD1-CB 4.38Å; I948-L986 HydrophobicContact CD1-CD2 4.17Å; I948-L986 HydrophobicContact CG1-CB 4.05Å; H982-L986 PolarHBondContact O-N 3.39Å; H982-L986 VanDerWaalsContact O-N 3.11Å; L983-L986 HydrophobicContact CD2-CD2 4.33Å; L983-L986 PolarHBondContact O-N 2.85Å; L986-F989 PolarHBondContact O-N 3.07Å; L986-T990 HydrophobicContact CD1-CG2 4.15Å; L986-T990 HydrophobicContact CG-CG2 4.46Å; L986-T990 WeakPolarHBondContact O-CB 3.48Å; L986-T990 WeakPolarHBondContact O-CG2 3.3Å; L986-T990 PolarHBondContact O-N 3.49Å; L986-T990 PolarHBondContact O-OG1 3.07Å; L986-W1040 HydrophobicContact CD2-CE3 4.47Å; L986-W1040 HydrophobicContact CD2-CH2 4.26Å; L986-W1040 HydrophobicContact CD2-CZ3 3.58Å
987	N	91.5	Very high	89.1	Confident	41 Å²	41	39 Å²	39	22%	0.219	21%	0.206	C	C	.	.	H	α-helix	trans	-62.7	-43.9	175.4	-168.6	16.6	0	0	0	111.1	F975 V977 L983 T984 F989 T990 Q991	F975-N987 PolarHBondContact O-ND2 3.48Å; V977-N987 HydrophobicContact CG2-CB 4.41Å; L983-N987 WeakPolarHBondContact O-CB 3.38Å; L983-N987 PolarHBondContact O-N 3.41Å; T984-N987 WeakPolarHBondContact O-CB 3.48Å; T984-N987 PolarHBondContact O-N 3.31Å; N987-F989 PolarHBondContact O-N 2.68Å; N987-T990 WeakPolarHBondContact CA-OG1 3.22Å; N987-T990 PolarHBondContact O-N 2.92Å; N987-T990 PolarHBondContact O-OG1 3.25Å; N987-T990 VanDerWaalsContact O-OG1 3.12Å; N987-Q991 PolarHBondContact ND2-NE2 2.84Å; N987-Q991 WeakPolarHBondContact O-CB 3.41Å; N987-Q991 WeakPolarHBondContact O-CG 3.03Å; N987-Q991 PolarHBondContact O-N 2.83Å; N987-Q991 PolarHBondContact OD1-NE2 3.06Å
988	V	91.9	Very high	88.9	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-57.2	-49	172.7	171.2	0	0	0	0	111.7	M951 V957 F958 F975 T984 L985 W992 L1007 M1012	M951-V988 HydrophobicContact CE-CG1 4.39Å; V957-V988 HydrophobicContact CG1-CG1 4.33Å; F958-V988 HydrophobicContact CE1-CG2 3.86Å; F958-V988 HydrophobicContact CZ-CG2 3.65Å; F975-V988 HydrophobicContact CB-CG2 3.74Å; F975-V988 HydrophobicContact CD1-CB 4.43Å; F975-V988 HydrophobicContact CD1-CG2 3.73Å; F975-V988 HydrophobicContact CD2-CG2 4.13Å; F975-V988 HydrophobicContact CE1-CG2 4.34Å; F975-V988 HydrophobicContact CG-CG2 3.61Å; T984-V988 WeakPolarHBondContact O-CG2 3.23Å; T984-V988 PolarHBondContact O-N 2.9Å; L985-V988 PolarHBondContact O-N 2.88Å; V988-W992 WeakPolarHBondContact O-CB 3.41Å; V988-W992 PolarHBondContact O-N 2.68Å; V988-L1007 HydrophobicContact CG1-CD1 3.7Å; V988-L1007 HydrophobicContact CG1-CD2 3.99Å; V988-L1007 HydrophobicContact CG1-CG 4.48Å; V988-M1012 HydrophobicContact CG1-CE 4.11Å; V988-M1012 HydrophobicContact CG1-SD 4.4Å
989	F	91.4	Very high	88.9	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.009	21%	0.21	C	C	.	.	H	α-helix	trans	-63.5	-44.4	179.1	-168.3	-100.9	0	0	0	112.5	T947 M951 L985 L986 N987 W992 R993 M1012 I1015	T947-F989 HydrophobicContact CG2-CB 3.65Å; T947-F989 HydrophobicContact CG2-CD1 3.27Å; T947-F989 HydrophobicContact CG2-CD2 4.26Å; T947-F989 HydrophobicContact CG2-CE1 3.92Å; T947-F989 HydrophobicContact CG2-CG 3.46Å; T947-F989 VanDerWaalsContact CG2-CG 3.46Å; M951-F989 HydrophobicContact CE-CB 3.6Å; M951-F989 HydrophobicContact CE-CD2 3.9Å; M951-F989 HydrophobicContact CE-CG 4.22Å; L985-F989 PolarHBondContact O-N 2.88Å; L986-F989 PolarHBondContact O-N 3.07Å; N987-F989 PolarHBondContact O-N 2.68Å; F989-W992 HydrophobicContact CD2-CE3 4.31Å; F989-W992 HydrophobicContact CE2-CE3 4.24Å; F989-W992 HydrophobicContact CE2-CZ3 4.22Å; F989-W992 PolarHBondContact O-N 3.23Å; F989-R993 VanDerWaalsContact O-CB 3.26Å; F989-R993 WeakPolarHBondContact O-CB 3.31Å; F989-R993 PolarHBondContact O-N 3.42Å; F989-M1012 HydrophobicContact CD2-CE 4.23Å; F989-I1015 HydrophobicContact CD2-CG2 4.09Å; F989-I1015 HydrophobicContact CE2-CG2 4.01Å
990	T	90.8	Very high	88.8	Confident	32 Å²	32	37.7 Å²	37.7	20%	0.196	21%	0.212	C	C	.	.	H	α-helix	trans	-69.8	-34.5	-176.6	53.5	0	0	0	0	112.3	L986 N987 K994	L986-T990 HydrophobicContact CD1-CG2 4.15Å; L986-T990 HydrophobicContact CG-CG2 4.46Å; L986-T990 WeakPolarHBondContact O-CB 3.48Å; L986-T990 WeakPolarHBondContact O-CG2 3.3Å; L986-T990 PolarHBondContact O-N 3.49Å; L986-T990 PolarHBondContact O-OG1 3.07Å; N987-T990 WeakPolarHBondContact CA-OG1 3.22Å; N987-T990 PolarHBondContact O-N 2.92Å; N987-T990 PolarHBondContact O-OG1 3.25Å; N987-T990 VanDerWaalsContact O-OG1 3.12Å; T990-K994 WeakPolarHBondContact O-CB 3.08Å; T990-K994 VanDerWaalsContact O-CG 3.26Å; T990-K994 WeakPolarHBondContact O-CG 3.39Å; T990-K994 PolarHBondContact O-N 3.42Å
991	Q	90.8	Very high	88.6	Confident	59 Å²	59	39.2 Å²	39.2	28%	0.276	22%	0.218	S	C	.	.	H	α-helix	trans	-68.7	-44	171.3	-69.3	-171.6	40.7	0	0	112	F975 N987 R993 K994 S995 F1001	F975-Q991 HydrophobicContact CE1-CB 4.04Å; F975-Q991 HydrophobicContact CE1-CG 4.31Å; F975-Q991 VanDerWaalsContact CE1-OE1 3.23Å; N987-Q991 PolarHBondContact ND2-NE2 2.84Å; N987-Q991 WeakPolarHBondContact O-CB 3.41Å; N987-Q991 WeakPolarHBondContact O-CG 3.03Å; N987-Q991 PolarHBondContact O-N 2.83Å; N987-Q991 PolarHBondContact OD1-NE2 3.06Å; Q991-R993 VanDerWaalsContact C-N 3.32Å; Q991-R993 PolarHBondContact O-N 2.79Å; Q991-K994 WeakPolarHBondContact O-CB 3.5Å; Q991-K994 PolarHBondContact O-N 3.22Å; Q991-K994 VanDerWaalsContact O-N 3.11Å; Q991-S995 PolarHBondContact O-N 2.87Å; Q991-S995 PolarHBondContact O-OG 3.44Å; Q991-F1001 HydrophobicContact CB-CZ 3.84Å
992	W	90.8	Very high	88.3	Confident	5 Å²	5	38.5 Å²	38.5	2%	0.019	22%	0.215	C	C	.	.	H	α-helix	trans	-63.6	-35.9	175.6	-176.7	56.9	0	0	0	113.1	V988 F989 S995 Y997 S998 F1001 C1002 L1009 M1012	V988-W992 WeakPolarHBondContact O-CB 3.41Å; V988-W992 PolarHBondContact O-N 2.68Å; F989-W992 HydrophobicContact CD2-CE3 4.31Å; F989-W992 HydrophobicContact CE2-CE3 4.24Å; F989-W992 HydrophobicContact CE2-CZ3 4.22Å; F989-W992 PolarHBondContact O-N 3.23Å; W992-S995 WeakPolarHBondContact CA-OG 3.35Å; W992-S995 PolarHBondContact O-N 3.31Å; W992-S995 PolarHBondContact O-OG 2.99Å; W992-Y997 AromaticContact CD2-CD1 3.88Å; W992-Y997 HydrophobicContact CD2-CD1 3.88Å; W992-Y997 AromaticContact CE3-CD1 3.52Å; W992-Y997 HydrophobicContact CE3-CD1 3.52Å; W992-Y997 HydrophobicContact CE3-CE1 4.01Å; W992-Y997 AromaticContact CH2-CD1 3.68Å; W992-Y997 HydrophobicContact CH2-CD1 3.68Å; W992-Y997 HydrophobicContact CH2-CG 4.43Å; W992-Y997 AromaticContact CZ2-CD1 3.98Å; W992-Y997 HydrophobicContact CZ2-CD1 3.98Å; W992-Y997 HydrophobicContact CZ2-CG 4.44Å; W992-Y997 AromaticContact CZ3-CD1 3.44Å; W992-Y997 HydrophobicContact CZ3-CD1 3.44Å; W992-Y997 VanDerWaalsContact CZ3-CD1 3.44Å; W992-Y997 AromaticContact CZ3-CE1 3.93Å; W992-Y997 HydrophobicContact CZ3-CE1 3.93Å; W992-Y997 VanDerWaalsContact NE1-C 3.33Å; W992-Y997 PolarHBondContact NE1-O 2.74Å; W992-Y997 PolarHBondContact O-N 3.32Å; W992-S998 PolarHBondContact NE1-O 3.16Å; W992-F1001 HydrophobicContact CB-CD1 4.13Å; W992-F1001 HydrophobicContact CB-CE1 4.06Å; W992-F1001 AromaticContact CD1-CD1 3.72Å; W992-F1001 HydrophobicContact CG-CD1 4.33Å; W992-C1002 PolarHBondContact NE1-SG 2.72Å; W992-L1009 HydrophobicContact CZ2-CD1 4.31Å; W992-M1012 HydrophobicContact CB-CE 3.81Å; W992-M1012 HydrophobicContact CD2-CB 4.16Å; W992-M1012 HydrophobicContact CD2-CE 3.56Å; W992-M1012 HydrophobicContact CD2-CG 4.49Å; W992-M1012 HydrophobicContact CE3-CB 3.97Å; W992-M1012 HydrophobicContact CE3-CE 3.28Å; W992-M1012 HydrophobicContact CG-CE 3.82Å; W992-M1012 HydrophobicContact CH2-CB 3.5Å; W992-M1012 WeakPolarHBondContact CH2-O 3.37Å; W992-M1012 HydrophobicContact CZ2-CB 3.73Å; W992-M1012 HydrophobicContact CZ3-CB 3.63Å; W992-M1012 HydrophobicContact CZ3-CE 4.02Å; W992-M1012 VanDerWaalsContact CZ3-O 3.32Å; W992-M1012 WeakPolarHBondContact CZ3-O 3.49Å
993	R	90.7	Very high	87.7	Confident	97 Å²	97	40.6 Å²	40.6	37%	0.366	23%	0.232	S	C	.	.	H	α-helix	trans	-63.8	-41.3	171.4	-179.6	167.4	76.9	170.8	0.7	111.6	E943 F989 Q991 G996 Y997	E943-R993 IonicContact OE1-CZ 2.91Å; E943-R993 IonicContact OE1-NH1 3.17Å; E943-R993 PolarHBondContact OE1-NH1 2.89Å; E943-R993 IonicContact OE1-NH2 3.95Å; E943-R993 PolarHBondContact OE1-NH2 3.37Å; E943-R993 VanDerWaalsContact OE1-NH2 3.12Å; F989-R993 VanDerWaalsContact O-CB 3.26Å; F989-R993 WeakPolarHBondContact O-CB 3.31Å; F989-R993 PolarHBondContact O-N 3.42Å; Q991-R993 VanDerWaalsContact C-N 3.32Å; Q991-R993 PolarHBondContact O-N 2.79Å; R993-G996 PolarHBondContact O-N 2.88Å; R993-Y997 HydrophobicContact CB-CE1 4.26Å; R993-Y997 HydrophobicContact CG-CE1 4.42Å
994	K	90.4	Very high	87.3	Confident	180 Å²	180	48.3 Å²	48.3	78%	0.783	27%	0.266	S	S	*	.	H	α-helix	trans	-66.8	-34.1	175.3	-76.2	170.6	179.8	178.2	0	112.4	T990 Q991 G996	T990-K994 WeakPolarHBondContact O-CB 3.08Å; T990-K994 VanDerWaalsContact O-CG 3.26Å; T990-K994 WeakPolarHBondContact O-CG 3.39Å; T990-K994 PolarHBondContact O-N 3.42Å; Q991-K994 WeakPolarHBondContact O-CB 3.5Å; Q991-K994 PolarHBondContact O-N 3.22Å; Q991-K994 VanDerWaalsContact O-N 3.11Å; K994-G996 PolarHBondContact O-N 3.03Å
995	S	88.1	Confident	87	Confident	39 Å²	39	49.4 Å²	49.4	27%	0.273	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	25.6	174.2	69.4	0	0	0	0	113.8	Q991 W992 Y997 S998 F1001	Q991-S995 PolarHBondContact O-N 2.87Å; Q991-S995 PolarHBondContact O-OG 3.44Å; W992-S995 WeakPolarHBondContact CA-OG 3.35Å; W992-S995 PolarHBondContact O-N 3.31Å; W992-S995 PolarHBondContact O-OG 2.99Å; S995-Y997 VanDerWaalsContact C-N 3.26Å; S995-Y997 PolarHBondContact O-N 3.02Å; S995-S998 VanDerWaalsContact O-CB 3.25Å; S995-S998 WeakPolarHBondContact O-CB 3.39Å; S995-S998 PolarHBondContact O-N 2.99Å; S995-S998 VanDerWaalsContact O-N 3.07Å; S995-F1001 WeakPolarHBondContact OG-CG 3.34Å
996	G	85.4	Confident	86.6	Confident	60 Å²	60	49.5 Å²	49.5	62%	0.619	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	21.6	174.1	0	0	0	0	0	115.6	R993 K994 S998	R993-G996 PolarHBondContact O-N 2.88Å; K994-G996 PolarHBondContact O-N 3.03Å; G996-S998 PolarHBondContact O-N 2.99Å
997	Y	84.2	Confident	86.3	Confident	75 Å²	75	49.4 Å²	49.4	29%	0.294	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	24.5	-171.4	-51.4	-75.7	0	0	0	114.8	W992 R993 S995	W992-Y997 AromaticContact CD2-CD1 3.88Å; W992-Y997 HydrophobicContact CD2-CD1 3.88Å; W992-Y997 AromaticContact CE3-CD1 3.52Å; W992-Y997 HydrophobicContact CE3-CD1 3.52Å; W992-Y997 HydrophobicContact CE3-CE1 4.01Å; W992-Y997 AromaticContact CH2-CD1 3.68Å; W992-Y997 HydrophobicContact CH2-CD1 3.68Å; W992-Y997 HydrophobicContact CH2-CG 4.43Å; W992-Y997 AromaticContact CZ2-CD1 3.98Å; W992-Y997 HydrophobicContact CZ2-CD1 3.98Å; W992-Y997 HydrophobicContact CZ2-CG 4.44Å; W992-Y997 AromaticContact CZ3-CD1 3.44Å; W992-Y997 HydrophobicContact CZ3-CD1 3.44Å; W992-Y997 VanDerWaalsContact CZ3-CD1 3.44Å; W992-Y997 AromaticContact CZ3-CE1 3.93Å; W992-Y997 HydrophobicContact CZ3-CE1 3.93Å; W992-Y997 VanDerWaalsContact NE1-C 3.33Å; W992-Y997 PolarHBondContact NE1-O 2.74Å; W992-Y997 PolarHBondContact O-N 3.32Å; R993-Y997 HydrophobicContact CB-CE1 4.26Å; R993-Y997 HydrophobicContact CG-CE1 4.42Å; S995-Y997 VanDerWaalsContact C-N 3.26Å; S995-Y997 PolarHBondContact O-N 3.02Å
998	S	81	Confident	85.8	Confident	46 Å²	46	47.7 Å²	47.7	32%	0.322	26%	0.26	S	S	.	.			trans	-53.3	138	179.5	175.9	0	0	0	0	113.5	W992 S995 G996 A1000 F1001	W992-S998 PolarHBondContact NE1-O 3.16Å; S995-S998 VanDerWaalsContact O-CB 3.25Å; S995-S998 WeakPolarHBondContact O-CB 3.39Å; S995-S998 PolarHBondContact O-N 2.99Å; S995-S998 VanDerWaalsContact O-N 3.07Å; G996-S998 PolarHBondContact O-N 2.99Å; S998-A1000 PolarHBondContact OG-N 3.27Å; S998-F1001 PolarHBondContact OG-N 2.73Å
999	S	81.6	Confident	85.3	Confident	63 Å²	63	49 Å²	49	44%	0.441	27%	0.267	S	S	.	.	H	α-helix	trans	-69.8	-39.7	170.4	44.9	0	0	0	0	112.1	F1001 C1002 A1003	S999-F1001 PolarHBondContact O-N 3.33Å; S999-C1002 WeakPolarHBondContact O-CB 3.32Å; S999-C1002 PolarHBondContact O-N 3.41Å; S999-A1003 PolarHBondContact O-N 2.78Å
1000	A	82.1	Confident	84.5	Confident	47 Å²	47	51 Å²	51	39%	0.388	28%	0.276	S	S	.	.	H	α-helix	trans	-61.9	-33.1	178.2	0	0	0	0	0	112	S998 A1003 K1004	S998-A1000 PolarHBondContact OG-N 3.27Å; A1000-A1003 PolarHBondContact O-N 2.77Å; A1000-K1004 VanDerWaalsContact O-CB 3.25Å; A1000-K1004 WeakPolarHBondContact O-CB 3.26Å; A1000-K1004 PolarHBondContact O-N 2.83Å
1001	F	84.8	Confident	84.1	Confident	31 Å²	31	49.5 Å²	49.5	14%	0.136	27%	0.267	C	S	.	.	H	α-helix	trans	-61.7	-45.2	171.3	-175.3	-88.4	0	0	0	111.7	F975 Q991 W992 S995 S998 S999 H1005 L1007	F975-F1001 HydrophobicContact CE1-CE1 4.33Å; F975-F1001 AromaticContact CE1-CZ 3.87Å; F975-F1001 HydrophobicContact CE1-CZ 3.87Å; F975-F1001 HydrophobicContact CZ-CE1 4.11Å; F975-F1001 AromaticContact CZ-CZ 3.78Å; F975-F1001 HydrophobicContact CZ-CZ 3.78Å; Q991-F1001 HydrophobicContact CB-CZ 3.84Å; W992-F1001 HydrophobicContact CB-CD1 4.13Å; W992-F1001 HydrophobicContact CB-CE1 4.06Å; W992-F1001 AromaticContact CD1-CD1 3.72Å; W992-F1001 HydrophobicContact CG-CD1 4.33Å; S995-F1001 WeakPolarHBondContact OG-CG 3.34Å; S998-F1001 PolarHBondContact OG-N 2.73Å; S999-F1001 PolarHBondContact O-N 3.33Å; F1001-H1005 AromaticContact CD2-CD2 3.71Å; F1001-H1005 AromaticContact CD2-NE2 3.99Å; F1001-H1005 AromaticContact CE2-CD2 3.55Å; F1001-H1005 AromaticContact CE2-NE2 3.57Å; F1001-H1005 AromaticContact CZ-CD2 3.74Å; F1001-H1005 WeakPolarHBondContact O-CB 3.34Å; F1001-H1005 PolarHBondContact O-CD2 3.06Å; F1001-H1005 VanDerWaalsContact O-CD2 3.31Å; F1001-H1005 PolarHBondContact O-N 3.2Å; F1001-H1005 VanDerWaalsContact O-N 3.15Å; F1001-L1007 HydrophobicContact CD1-CD1 4.28Å; F1001-L1007 HydrophobicContact CE1-CD1 3.96Å
1002	C	82.7	Confident	83.9	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.007	25%	0.254	C	S	.	.	H	α-helix	trans	-61.9	-45.4	177.3	-70.9	0	0	0	0	112.2	W992 S999 H1005 F1006 L1007 L1009	W992-C1002 PolarHBondContact NE1-SG 2.72Å; S999-C1002 WeakPolarHBondContact O-CB 3.32Å; S999-C1002 PolarHBondContact O-N 3.41Å; C1002-H1005 PolarHBondContact O-N 3.22Å; C1002-F1006 PolarHBondContact O-N 3.37Å; C1002-L1007 HydrophobicContact CB-CB 4.26Å; C1002-L1007 WeakPolarHBondContact CB-O 3.34Å; C1002-L1007 PolarHBondContact O-N 3.47Å; C1002-L1009 HydrophobicContact CB-CB 4.27Å; C1002-L1009 HydrophobicContact CB-CD1 4.3Å
1003	A	78.8	Confident	83.6	Confident	45 Å²	45	50.6 Å²	50.6	37%	0.372	27%	0.268	S	S	.	.	H	α-helix	trans	-60.5	-53.1	177.2	0	0	0	0	0	111.7	S999 A1000 H1005 F1006	S999-A1003 PolarHBondContact O-N 2.78Å; A1000-A1003 PolarHBondContact O-N 2.77Å; A1003-H1005 PolarHBondContact O-N 3.09Å; A1003-H1005 VanDerWaalsContact O-N 3.14Å; A1003-F1006 PolarHBondContact O-N 3.39Å
1004	K	83.3	Confident	83.1	Confident	164 Å²	164	47.8 Å²	47.8	71%	0.713	26%	0.259	S	S	*	.	H	α-helix	trans	-59.8	-27	-178.9	-176	169.7	-174.4	165.5	0	114.3	A1000	A1000-K1004 VanDerWaalsContact O-CB 3.25Å; A1000-K1004 WeakPolarHBondContact O-CB 3.26Å; A1000-K1004 PolarHBondContact O-N 2.83Å
1005	H	84.1	Confident	83	Confident	28 Å²	28	39.2 Å²	39.2	13%	0.13	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	9.9	-177.1	-73.9	-80.5	0	0	0	114.1	F975 F1001 C1002 A1003 L1007	F975-H1005 HydrophobicContact CE2-CB 3.79Å; F975-H1005 AromaticContact CE2-CG 3.76Å; F975-H1005 AromaticContact CE2-ND1 3.32Å; F975-H1005 VanDerWaalsContact CE2-ND1 3.32Å; F975-H1005 WeakPolarHBondContact CE2-ND1 3.3Å; F975-H1005 HydrophobicContact CZ-CB 3.84Å; F975-H1005 AromaticContact CZ-CE1 3.89Å; F975-H1005 AromaticContact CZ-CG 3.55Å; F975-H1005 AromaticContact CZ-ND1 3.31Å; F975-H1005 VanDerWaalsContact CZ-ND1 3.31Å; F975-H1005 WeakPolarHBondContact CZ-ND1 3.13Å; F1001-H1005 AromaticContact CD2-CD2 3.71Å; F1001-H1005 AromaticContact CD2-NE2 3.99Å; F1001-H1005 AromaticContact CE2-CD2 3.55Å; F1001-H1005 AromaticContact CE2-NE2 3.57Å; F1001-H1005 AromaticContact CZ-CD2 3.74Å; F1001-H1005 WeakPolarHBondContact O-CB 3.34Å; F1001-H1005 PolarHBondContact O-CD2 3.06Å; F1001-H1005 VanDerWaalsContact O-CD2 3.31Å; F1001-H1005 PolarHBondContact O-N 3.2Å; F1001-H1005 VanDerWaalsContact O-N 3.15Å; C1002-H1005 PolarHBondContact O-N 3.22Å; A1003-H1005 PolarHBondContact O-N 3.09Å; A1003-H1005 VanDerWaalsContact O-N 3.14Å; H1005-L1007 VanDerWaalsContact C-N 3.35Å; H1005-L1007 HydrophobicContact CB-CD1 4.02Å; H1005-L1007 HydrophobicContact CB-CG 3.97Å; H1005-L1007 PolarHBondContact O-N 3.4Å
1006	F	83	Confident	83	Confident	20 Å²	20	43.5 Å²	43.5	9%	0.088	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	45.5	-179.2	-55.1	-90.5	0	0	0	113.6	Y959 P961 R964 E967 A971 C1002 A1003	Y959-F1006 VanDerWaalsContact CD1-O 3.23Å; Y959-F1006 WeakPolarHBondContact CD1-O 3.4Å; Y959-F1006 HydrophobicContact CD2-CB 4.32Å; Y959-F1006 HydrophobicContact CD2-CD1 4.33Å; Y959-F1006 VanDerWaalsContact CE1-CA 3.44Å; Y959-F1006 HydrophobicContact CE1-CB 4.26Å; Y959-F1006 HydrophobicContact CE2-CB 4.04Å; Y959-F1006 AromaticContact CE2-CD1 3.59Å; Y959-F1006 HydrophobicContact CE2-CD1 3.59Å; Y959-F1006 HydrophobicContact CE2-CG 4.29Å; Y959-F1006 VanDerWaalsContact CZ-CA 3.48Å; Y959-F1006 AromaticContact CZ-CD1 3.98Å; Y959-F1006 PolarHBondContact N-O 2.83Å; P961-F1006 HydrophobicContact CG-CD1 3.72Å; P961-F1006 HydrophobicContact CG-CE1 3.91Å; R964-F1006 HydrophobicContact CB-CE1 4.15Å; R964-F1006 HydrophobicContact CB-CZ 4.32Å; E967-F1006 HydrophobicContact CB-CE2 3.89Å; E967-F1006 HydrophobicContact CB-CZ 3.81Å; A971-F1006 HydrophobicContact CB-CD2 3.78Å; A971-F1006 HydrophobicContact CB-CE2 4.28Å; C1002-F1006 PolarHBondContact O-N 3.37Å; A1003-F1006 PolarHBondContact O-N 3.39Å
1007	L	85.2	Confident	83	Confident	3 Å²	3	45.4 Å²	45.4	2%	0.016	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-110.3	134.3	178.3	-50.5	174.5	0	0	0	111.1	V957 F958 Y959 V988 F1001 C1002 H1005 L1009	V957-L1007 HydrophobicContact CG1-CB 4.19Å; V957-L1007 HydrophobicContact CG1-CD2 4.07Å; V957-L1007 WeakPolarHBondContact O-CA 3.28Å; F958-L1007 HydrophobicContact CD1-CD2 3.65Å; F958-L1007 HydrophobicContact CE1-CD2 3.78Å; Y959-L1007 VanDerWaalsContact CE1-N 3.29Å; Y959-L1007 WeakPolarHBondContact CE1-O 3.27Å; V988-L1007 HydrophobicContact CG1-CD1 3.7Å; V988-L1007 HydrophobicContact CG1-CD2 3.99Å; V988-L1007 HydrophobicContact CG1-CG 4.48Å; F1001-L1007 HydrophobicContact CD1-CD1 4.28Å; F1001-L1007 HydrophobicContact CE1-CD1 3.96Å; C1002-L1007 HydrophobicContact CB-CB 4.26Å; C1002-L1007 WeakPolarHBondContact CB-O 3.34Å; C1002-L1007 PolarHBondContact O-N 3.47Å; H1005-L1007 VanDerWaalsContact C-N 3.35Å; H1005-L1007 HydrophobicContact CB-CD1 4.02Å; H1005-L1007 HydrophobicContact CB-CG 3.97Å; H1005-L1007 PolarHBondContact O-N 3.4Å; L1007-L1009 PolarHBondContact O-N 3.46Å; L1007-L1009 VanDerWaalsContact O-N 3.14Å
1008	H	80.8	Confident	83.1	Confident	4 Å²	4	42.2 Å²	42.2	2%	0.019	21%	0.213	C	C	.	.			trans	-68.9	109.9	178	-82.6	-58.7	0	0	0	111.8	L293 W297 V957 Y959 K1010 A1011 M1012	L293-H1008 PolarHBondContact O-CE1 2.95Å; L293-H1008 PolarHBondContact O-ND1 2.87Å; W297-H1008 AromaticContact CD1-CD2 3.92Å; W297-H1008 AromaticContact CD1-CG 3.81Å; W297-H1008 HydrophobicContact CG-CB 4.39Å; V957-H1008 PolarHBondContact O-N 2.83Å; Y959-H1008 WeakPolarHBondContact CB-NE2 3.32Å; Y959-H1008 AromaticContact CD1-ND1 3.92Å; H1008-K1010 VanDerWaalsContact C-N 3.29Å; H1008-K1010 PolarHBondContact O-N 2.93Å; H1008-A1011 HydrophobicContact CB-CB 3.7Å; H1008-A1011 VanDerWaalsContact O-CB 3.3Å; H1008-A1011 WeakPolarHBondContact O-CB 3.27Å; H1008-A1011 PolarHBondContact O-N 2.81Å; H1008-M1012 WeakPolarHBondContact O-CG 3.32Å; H1008-M1012 PolarHBondContact O-N 2.79Å
1009	L	81.5	Confident	83.5	Confident	29 Å²	29	41.5 Å²	41.5	15%	0.152	20%	0.203	C	C	.	.	H	α-helix	trans	-58	-38.5	179.6	-178	60.2	0	0	0	112.8	W992 C1002 L1007 M1012 R1013	W992-L1009 HydrophobicContact CZ2-CD1 4.31Å; C1002-L1009 HydrophobicContact CB-CB 4.27Å; C1002-L1009 HydrophobicContact CB-CD1 4.3Å; L1007-L1009 PolarHBondContact O-N 3.46Å; L1007-L1009 VanDerWaalsContact O-N 3.14Å; L1009-M1012 PolarHBondContact O-N 3.4Å; L1009-R1013 WeakPolarHBondContact O-CG 3.01Å; L1009-R1013 PolarHBondContact O-N 2.88Å
1010	K	75.4	Confident	83.9	Confident	44 Å²	44	41.9 Å²	41.9	19%	0.191	20%	0.198	C	C	.	.	H	α-helix	trans	-64.6	-39.9	173.9	-79	-171	179.1	165.8	0	113.2	D294 W297 Y298 H1008 M1012 R1013 K1014	D294-K1010 HydrophobicContact CB-CD 4.34Å; D294-K1010 WeakPolarHBondContact OD1-CD 3.34Å; D294-K1010 WeakPolarHBondContact OD1-CE 3.31Å; D294-K1010 WeakPolarHBondContact OD1-CG 3.26Å; D294-K1010 IonicContact OD1-NZ 3.55Å; D294-K1010 PolarHBondContact OD1-NZ 2.99Å; D294-K1010 WeakPolarHBondContact OD2-CE 3.49Å; D294-K1010 IonicContact OD2-NZ 3.02Å; D294-K1010 PolarHBondContact OD2-NZ 3.16Å; W297-K1010 HydrophobicContact CD2-CB 3.56Å; W297-K1010 HydrophobicContact CD2-CD 4.43Å; W297-K1010 HydrophobicContact CE3-CB 3.54Å; W297-K1010 HydrophobicContact CE3-CD 3.64Å; W297-K1010 HydrophobicContact CE3-CG 4.23Å; W297-K1010 HydrophobicContact CG-CB 4.1Å; W297-K1010 HydrophobicContact CH2-CB 4.03Å; W297-K1010 HydrophobicContact CZ2-CB 4.1Å; W297-K1010 HydrophobicContact CZ3-CB 3.78Å; W297-K1010 HydrophobicContact CZ3-CD 3.87Å; W297-K1010 HydrophobicContact CZ3-CG 4.39Å; Y298-K1010 HydrophobicContact CE2-CD 4.23Å; Y298-K1010 PolarHBondContact OH-NZ 3.32Å; H1008-K1010 VanDerWaalsContact C-N 3.29Å; H1008-K1010 PolarHBondContact O-N 2.93Å; K1010-M1012 VanDerWaalsContact C-N 3.35Å; K1010-M1012 PolarHBondContact O-N 3.47Å; K1010-R1013 PolarHBondContact O-N 2.93Å; K1010-K1014 PolarHBondContact O-N 3.39Å
1011	A	80.9	Confident	84	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-56.8	-52.5	172.5	0	0	0	0	0	109.7	W297 V954 V957 H1008 R1013 K1014 I1015	W297-A1011 VanDerWaalsContact NE1-CA 3.34Å; W297-A1011 VanDerWaalsContact NE1-CB 3.29Å; V954-A1011 HydrophobicContact CG1-CB 4.07Å; V957-A1011 HydrophobicContact CG2-CB 4.32Å; H1008-A1011 HydrophobicContact CB-CB 3.7Å; H1008-A1011 VanDerWaalsContact O-CB 3.3Å; H1008-A1011 WeakPolarHBondContact O-CB 3.27Å; H1008-A1011 PolarHBondContact O-N 2.81Å; A1011-R1013 VanDerWaalsContact C-N 3.3Å; A1011-R1013 PolarHBondContact O-N 3.03Å; A1011-K1014 PolarHBondContact O-N 3.24Å; A1011-K1014 VanDerWaalsContact O-N 3.15Å; A1011-I1015 HydrophobicContact CB-CD1 4.37Å; A1011-I1015 WeakPolarHBondContact O-CB 3.27Å; A1011-I1015 WeakPolarHBondContact O-CD1 3.48Å; A1011-I1015 WeakPolarHBondContact O-CG1 3.26Å; A1011-I1015 PolarHBondContact O-N 3.45Å
1012	M	86.7	Confident	84.2	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.5	-34.9	-177.4	-61.7	-58.5	-72.5	0	0	112.9	M951 V957 V988 F989 W992 H1008 L1009 K1010 I1015 R1016	M951-M1012 HydrophobicContact CE-CE 3.82Å; M951-M1012 HydrophobicContact CE-SD 3.84Å; V957-M1012 HydrophobicContact CB-SD 4.46Å; V957-M1012 HydrophobicContact CG1-CG 4.15Å; V957-M1012 HydrophobicContact CG1-SD 3.34Å; V957-M1012 WeakPolarHBondContact CG1-SD 3.37Å; V957-M1012 HydrophobicContact CG2-SD 4.26Å; V988-M1012 HydrophobicContact CG1-CE 4.11Å; V988-M1012 HydrophobicContact CG1-SD 4.4Å; F989-M1012 HydrophobicContact CD2-CE 4.23Å; W992-M1012 HydrophobicContact CB-CE 3.81Å; W992-M1012 HydrophobicContact CD2-CB 4.16Å; W992-M1012 HydrophobicContact CD2-CE 3.56Å; W992-M1012 HydrophobicContact CD2-CG 4.49Å; W992-M1012 HydrophobicContact CE3-CB 3.97Å; W992-M1012 HydrophobicContact CE3-CE 3.28Å; W992-M1012 HydrophobicContact CG-CE 3.82Å; W992-M1012 HydrophobicContact CH2-CB 3.5Å; W992-M1012 WeakPolarHBondContact CH2-O 3.37Å; W992-M1012 HydrophobicContact CZ2-CB 3.73Å; W992-M1012 HydrophobicContact CZ3-CB 3.63Å; W992-M1012 HydrophobicContact CZ3-CE 4.02Å; W992-M1012 VanDerWaalsContact CZ3-O 3.32Å; W992-M1012 WeakPolarHBondContact CZ3-O 3.49Å; H1008-M1012 WeakPolarHBondContact O-CG 3.32Å; H1008-M1012 PolarHBondContact O-N 2.79Å; L1009-M1012 PolarHBondContact O-N 3.4Å; K1010-M1012 VanDerWaalsContact C-N 3.35Å; K1010-M1012 PolarHBondContact O-N 3.47Å; M1012-I1015 HydrophobicContact SD-CD1 4.07Å; M1012-R1016 PolarHBondContact O-N 3.31Å; M1012-R1016 VanDerWaalsContact O-N 3.13Å
1013	R	84.9	Confident	84.5	Confident	86 Å²	86	43 Å²	43	33%	0.325	19%	0.194	S	C	.	.	H	α-helix	trans	-66.7	-51	170.9	-70.1	-178.8	-173.2	-158.5	3.8	112.2	Q475 L1009 K1010 A1011 I1015 R1016 E1017	Q475-R1013 VanDerWaalsContact CD-NH1 3.33Å; L1009-R1013 WeakPolarHBondContact O-CG 3.01Å; L1009-R1013 PolarHBondContact O-N 2.88Å; K1010-R1013 PolarHBondContact O-N 2.93Å; A1011-R1013 VanDerWaalsContact C-N 3.3Å; A1011-R1013 PolarHBondContact O-N 3.03Å; R1013-I1015 VanDerWaalsContact C-N 3.29Å; R1013-I1015 PolarHBondContact O-N 3.37Å; R1013-R1016 WeakPolarHBondContact O-CB 3.35Å; R1013-R1016 PolarHBondContact O-N 2.85Å; R1013-E1017 PolarHBondContact O-N 3.33Å
1014	K	79.5	Confident	85	Confident	38 Å²	38	43.2 Å²	43.2	17%	0.165	19%	0.188	C	C	.	.	H	α-helix	trans	-57.3	-40.2	175.7	-172.8	178.8	174.4	-177.2	0	111.4	W297 D301 V954 K1010 A1011 E1017 V1018	W297-K1014 HydrophobicContact CH2-CB 4.3Å; W297-K1014 HydrophobicContact CH2-CD 3.73Å; W297-K1014 HydrophobicContact CZ2-CB 4.02Å; W297-K1014 HydrophobicContact CZ2-CD 3.54Å; W297-K1014 HydrophobicContact CZ2-CG 4.43Å; D301-K1014 VanDerWaalsContact CG-NZ 3.3Å; D301-K1014 IonicContact OD1-NZ 3.42Å; D301-K1014 PolarHBondContact OD1-NZ 2.98Å; D301-K1014 IonicContact OD2-NZ 3.16Å; D301-K1014 PolarHBondContact OD2-NZ 3.34Å; V954-K1014 HydrophobicContact CG1-CB 4.42Å; V954-K1014 HydrophobicContact CG1-CD 4.09Å; V954-K1014 HydrophobicContact CG1-CG 4.44Å; V954-K1014 HydrophobicContact CG2-CB 4.3Å; V954-K1014 HydrophobicContact CG2-CD 4.03Å; V954-K1014 HydrophobicContact CG2-CG 3.83Å; K1010-K1014 PolarHBondContact O-N 3.39Å; A1011-K1014 PolarHBondContact O-N 3.24Å; A1011-K1014 VanDerWaalsContact O-N 3.15Å; K1014-E1017 PolarHBondContact O-N 3.34Å; K1014-V1018 WeakPolarHBondContact O-CB 3.18Å; K1014-V1018 WeakPolarHBondContact O-CG2 3.47Å; K1014-V1018 PolarHBondContact O-N 3.11Å
1015	I	88.9	Confident	85.1	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.5	-44.3	175.5	-69.6	157.8	0	0	0	111	M951 V954 V957 F989 A1011 M1012 R1013 R1019	M951-I1015 HydrophobicContact CE-CD1 3.99Å; M951-I1015 HydrophobicContact CE-CG2 4.35Å; M951-I1015 HydrophobicContact CG-CG2 4.3Å; M951-I1015 HydrophobicContact SD-CD1 3.51Å; M951-I1015 VanDerWaalsContact SD-CD1 3.51Å; M951-I1015 HydrophobicContact SD-CG1 4.42Å; M951-I1015 HydrophobicContact SD-CG2 4.42Å; V954-I1015 HydrophobicContact CB-CD1 4.3Å; V954-I1015 HydrophobicContact CB-CG1 3.69Å; V954-I1015 HydrophobicContact CG1-CD1 4.25Å; V954-I1015 HydrophobicContact CG1-CG1 3.93Å; V954-I1015 HydrophobicContact CG2-CG1 3.7Å; V957-I1015 HydrophobicContact CG2-CD1 3.44Å; V957-I1015 VanDerWaalsContact CG2-CD1 3.44Å; F989-I1015 HydrophobicContact CD2-CG2 4.09Å; F989-I1015 HydrophobicContact CE2-CG2 4.01Å; A1011-I1015 HydrophobicContact CB-CD1 4.37Å; A1011-I1015 WeakPolarHBondContact O-CB 3.27Å; A1011-I1015 WeakPolarHBondContact O-CD1 3.48Å; A1011-I1015 WeakPolarHBondContact O-CG1 3.26Å; A1011-I1015 PolarHBondContact O-N 3.45Å; M1012-I1015 HydrophobicContact SD-CD1 4.07Å; R1013-I1015 VanDerWaalsContact C-N 3.29Å; R1013-I1015 PolarHBondContact O-N 3.37Å; I1015-R1019 WeakPolarHBondContact O-CB 3.38Å; I1015-R1019 PolarHBondContact O-N 2.98Å
1016	R	89.1	Confident	85.3	Confident	129 Å²	129	35.5 Å²	35.5	49%	0.487	16%	0.155	S	C	.	.	H	α-helix	trans	-63.9	-39.6	177	179.8	176.8	168	178.5	-5.3	112.1	M1012 R1013 Q1020	M1012-R1016 PolarHBondContact O-N 3.31Å; M1012-R1016 VanDerWaalsContact O-N 3.13Å; R1013-R1016 WeakPolarHBondContact O-CB 3.35Å; R1013-R1016 PolarHBondContact O-N 2.85Å; R1016-Q1020 WeakPolarHBondContact O-CB 3.27Å; R1016-Q1020 PolarHBondContact O-N 2.85Å
1017	E	84.6	Confident	85.5	Confident	100 Å²	100	39 Å²	39	47%	0.467	17%	0.171	S	C	.	.	H	α-helix	trans	-65.1	-50.3	175.8	-69.6	162.6	-163.6	0	0	111.8	R1013 K1014 R1019 Q1020 Q1021	R1013-E1017 PolarHBondContact O-N 3.33Å; K1014-E1017 PolarHBondContact O-N 3.34Å; E1017-R1019 VanDerWaalsContact C-N 3.33Å; E1017-R1019 PolarHBondContact O-N 3.07Å; E1017-Q1020 PolarHBondContact O-N 2.87Å; E1017-Q1021 WeakPolarHBondContact O-CG 3.17Å; E1017-Q1021 PolarHBondContact O-N 3.37Å
1018	V	85.8	Confident	85.5	Confident	8 Å²	8	44.9 Å²	44.9	5%	0.048	20%	0.199	C	C	.	.	H	α-helix	trans	-59.3	-44.5	176.1	171	0	0	0	0	110.7	V954 K1014 Q1020 Q1021 M1022	V954-V1018 HydrophobicContact CG2-CG2 4.47Å; K1014-V1018 WeakPolarHBondContact O-CB 3.18Å; K1014-V1018 WeakPolarHBondContact O-CG2 3.47Å; K1014-V1018 PolarHBondContact O-N 3.11Å; V1018-Q1020 VanDerWaalsContact C-N 3.32Å; V1018-Q1020 PolarHBondContact O-N 3.48Å; V1018-Q1021 PolarHBondContact O-N 2.92Å; V1018-M1022 HydrophobicContact CG1-CG 4.24Å; V1018-M1022 WeakPolarHBondContact O-CB 3.36Å; V1018-M1022 WeakPolarHBondContact O-CG 3.15Å; V1018-M1022 PolarHBondContact O-N 3.03Å
1019	R	90.9	Very high	85.7	Confident	31 Å²	31	48.1 Å²	48.1	12%	0.117	21%	0.214	C	C	.	.	H	α-helix	trans	-60.6	-40.8	177.6	-165.5	-169.6	173.2	-75.2	3	112.1	E943 L946 T947 S950 I1015 E1017 K1023	E943-R1019 IonicContact OE1-NH2 3.8Å; E943-R1019 PolarHBondContact OE1-NH2 3.24Å; L946-R1019 HydrophobicContact CD1-CG 4.36Å; L946-R1019 HydrophobicContact CD2-CG 4.29Å; L946-R1019 HydrophobicContact CG-CG 3.9Å; T947-R1019 PolarHBondContact OG1-NE 2.85Å; S950-R1019 WeakPolarHBondContact OG-CA 3.44Å; S950-R1019 VanDerWaalsContact OG-CB 3.29Å; S950-R1019 WeakPolarHBondContact OG-CB 3.32Å; S950-R1019 PolarHBondContact OG-N 2.96Å; I1015-R1019 WeakPolarHBondContact O-CB 3.38Å; I1015-R1019 PolarHBondContact O-N 2.98Å; E1017-R1019 VanDerWaalsContact C-N 3.33Å; E1017-R1019 PolarHBondContact O-N 3.07Å; R1019-K1023 VanDerWaalsContact O-CB 3.3Å; R1019-K1023 WeakPolarHBondContact O-CB 3.25Å; R1019-K1023 PolarHBondContact O-N 2.87Å
1020	Q	89.1	Confident	85.7	Confident	71 Å²	71	53.5 Å²	53.5	33%	0.332	24%	0.243	S	C	.	.	H	α-helix	trans	-67.6	-43.6	177.4	-178.5	56.8	34.5	0	0	111.6	W233 R1016 E1017 V1018 K1023 E1024	W233-Q1020 HydrophobicContact CE3-CG 4.49Å; W233-Q1020 HydrophobicContact CH2-CB 4.44Å; W233-Q1020 HydrophobicContact CH2-CG 4.15Å; W233-Q1020 HydrophobicContact CZ3-CG 3.96Å; R1016-Q1020 WeakPolarHBondContact O-CB 3.27Å; R1016-Q1020 PolarHBondContact O-N 2.85Å; E1017-Q1020 PolarHBondContact O-N 2.87Å; V1018-Q1020 VanDerWaalsContact C-N 3.32Å; V1018-Q1020 PolarHBondContact O-N 3.48Å; Q1020-K1023 WeakPolarHBondContact O-CB 3.41Å; Q1020-K1023 PolarHBondContact O-N 2.95Å; Q1020-E1024 WeakPolarHBondContact CG-OE1 3.5Å; Q1020-E1024 PolarHBondContact NE2-OE1 3.2Å; Q1020-E1024 WeakPolarHBondContact O-CG 3.43Å; Q1020-E1024 PolarHBondContact O-N 2.88Å
1021	Q	84.1	Confident	86.1	Confident	42 Å²	42	52.6 Å²	52.6	20%	0.196	24%	0.24	C	C	.	.	H	α-helix	trans	-63.8	-42.8	175.9	-69.3	171.1	5.8	0	0	112.5	W233 E1017 V1018 K1023 E1024 I1025	W233-Q1021 HydrophobicContact CH2-CG 3.99Å; W233-Q1021 HydrophobicContact CZ3-CG 3.73Å; E1017-Q1021 WeakPolarHBondContact O-CG 3.17Å; E1017-Q1021 PolarHBondContact O-N 3.37Å; V1018-Q1021 PolarHBondContact O-N 2.92Å; Q1021-K1023 VanDerWaalsContact C-N 3.31Å; Q1021-K1023 PolarHBondContact O-N 2.94Å; Q1021-E1024 PolarHBondContact O-N 2.97Å; Q1021-I1025 WeakPolarHBondContact O-CG1 3.14Å; Q1021-I1025 PolarHBondContact O-N 3.48Å
1022	M	88.2	Confident	86.1	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-66	-38.6	177.7	-69.1	-49	95.6	0	0	110.4	F923 P924 L925 L946 V1018 E1024 I1025 M1026	F923-M1022 HydrophobicContact CD1-SD 4.21Å; P924-M1022 HydrophobicContact CG-CE 3.45Å; P924-M1022 VanDerWaalsContact CG-CE 3.45Å; P924-M1022 HydrophobicContact CG-SD 4.12Å; L925-M1022 HydrophobicContact CD1-SD 3.87Å; L925-M1022 HydrophobicContact CD2-SD 4.28Å; L925-M1022 HydrophobicContact CG-SD 4.05Å; L946-M1022 HydrophobicContact CD1-CB 3.43Å; L946-M1022 VanDerWaalsContact CD1-CB 3.43Å; V1018-M1022 HydrophobicContact CG1-CG 4.24Å; V1018-M1022 WeakPolarHBondContact O-CB 3.36Å; V1018-M1022 WeakPolarHBondContact O-CG 3.15Å; V1018-M1022 PolarHBondContact O-N 3.03Å; M1022-E1024 PolarHBondContact O-N 3.29Å; M1022-I1025 HydrophobicContact CE-CD1 3.75Å; M1022-I1025 PolarHBondContact O-N 2.9Å; M1022-I1025 HydrophobicContact SD-CD1 4.46Å; M1022-M1026 VanDerWaalsContact O-CG 3.26Å; M1022-M1026 WeakPolarHBondContact O-CG 3.43Å; M1022-M1026 PolarHBondContact O-N 2.92Å
1023	K	90.6	Very high	86	Confident	59 Å²	59	61.2 Å²	61.2	26%	0.257	29%	0.285	S	S	.	.	H	α-helix	trans	-56.4	-47.5	172	-163.1	-165.7	-178.4	-117.5	0	111.9	L946 R1019 Q1020 Q1021 M1026 E1027 L1033	L946-K1023 HydrophobicContact CD2-CB 4.07Å; L946-K1023 HydrophobicContact CD2-CG 4.24Å; R1019-K1023 VanDerWaalsContact O-CB 3.3Å; R1019-K1023 WeakPolarHBondContact O-CB 3.25Å; R1019-K1023 PolarHBondContact O-N 2.87Å; Q1020-K1023 WeakPolarHBondContact O-CB 3.41Å; Q1020-K1023 PolarHBondContact O-N 2.95Å; Q1021-K1023 VanDerWaalsContact C-N 3.31Å; Q1021-K1023 PolarHBondContact O-N 2.94Å; K1023-M1026 PolarHBondContact O-N 3.43Å; K1023-E1027 VanDerWaalsContact CE-OE1 3.23Å; K1023-E1027 WeakPolarHBondContact CE-OE1 3.24Å; K1023-E1027 IonicContact NZ-OE1 3.41Å; K1023-E1027 PolarHBondContact NZ-OE1 3.44Å; K1023-E1027 WeakPolarHBondContact O-CG 3.22Å; K1023-E1027 PolarHBondContact O-N 3.35Å; K1023-L1033 HydrophobicContact CD-CD1 4.12Å; K1023-L1033 HydrophobicContact CG-CD1 3.41Å; K1023-L1033 VanDerWaalsContact CG-CD1 3.41Å
1024	E	87.6	Confident	86.1	Confident	50 Å²	50	61.4 Å²	61.4	23%	0.234	29%	0.29	C	S	.	.	H	α-helix	trans	-64.5	-39.7	179.4	-74	166.7	-162.7	0	0	112.4	Q1020 Q1021 M1022 M1026 E1027 Q1028	Q1020-E1024 WeakPolarHBondContact CG-OE1 3.5Å; Q1020-E1024 PolarHBondContact NE2-OE1 3.2Å; Q1020-E1024 WeakPolarHBondContact O-CG 3.43Å; Q1020-E1024 PolarHBondContact O-N 2.88Å; Q1021-E1024 PolarHBondContact O-N 2.97Å; M1022-E1024 PolarHBondContact O-N 3.29Å; E1024-M1026 VanDerWaalsContact C-N 3.34Å; E1024-E1027 PolarHBondContact O-N 3.12Å; E1024-Q1028 WeakPolarHBondContact O-CB 3.32Å; E1024-Q1028 WeakPolarHBondContact O-CG 3.32Å; E1024-Q1028 PolarHBondContact O-N 3.11Å
1025	I	86.4	Confident	86.3	Confident	30 Å²	30	62.7 Å²	62.7	15%	0.154	30%	0.304	C	S	.	.	H	α-helix	trans	-64.9	-39	173.6	-65.1	170.9	0	0	0	110.7	F923 P924 Q1021 M1022 Q1028 H1029	F923-I1025 HydrophobicContact CD1-CG2 3.85Å; F923-I1025 HydrophobicContact CE1-CB 4.38Å; F923-I1025 HydrophobicContact CE1-CG2 3.75Å; F923-I1025 HydrophobicContact CZ-CG2 4.44Å; P924-I1025 HydrophobicContact CG-CD1 4.42Å; Q1021-I1025 WeakPolarHBondContact O-CG1 3.14Å; Q1021-I1025 PolarHBondContact O-N 3.48Å; M1022-I1025 HydrophobicContact CE-CD1 3.75Å; M1022-I1025 PolarHBondContact O-N 2.9Å; M1022-I1025 HydrophobicContact SD-CD1 4.46Å; I1025-Q1028 PolarHBondContact O-N 3.44Å; I1025-H1029 PolarHBondContact O-N 2.87Å; I1025-H1029 PolarHBondContact O-ND1 2.76Å
1026	M	88.3	Confident	85.6	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-64.9	-44.3	175.8	-68.7	174.6	77.6	0	0	112.2	F923 L933 C937 L946 M1022 K1023 E1024 H1029 N1030 M1031 L1033	F923-M1026 HydrophobicContact CE1-CG 3.92Å; F923-M1026 HydrophobicContact CZ-CG 4.06Å; L933-M1026 HydrophobicContact CD2-SD 4.3Å; C937-M1026 VanDerWaalsContact SG-CE 3.57Å; L946-M1026 HydrophobicContact CD1-SD 4.01Å; L946-M1026 HydrophobicContact CD2-SD 4.4Å; M1022-M1026 VanDerWaalsContact O-CG 3.26Å; M1022-M1026 WeakPolarHBondContact O-CG 3.43Å; M1022-M1026 PolarHBondContact O-N 2.92Å; K1023-M1026 PolarHBondContact O-N 3.43Å; E1024-M1026 VanDerWaalsContact C-N 3.34Å; M1026-H1029 CarbonylContact O-C 3.57Å; M1026-H1029 PolarHBondContact O-N 2.82Å; M1026-N1030 PolarHBondContact O-N 3.1Å; M1026-M1031 HydrophobicContact CB-CB 4.26Å; M1026-M1031 HydrophobicContact CB-CE 4.22Å; M1026-M1031 HydrophobicContact CG-CE 4.11Å; M1026-M1031 PolarHBondContact O-N 3.44Å; M1026-L1033 HydrophobicContact CE-CD2 3.71Å; M1026-L1033 HydrophobicContact SD-CD2 4Å
1027	E	88	Confident	84.9	Confident	92 Å²	92	61.7 Å²	61.7	43%	0.43	32%	0.32	S	S	.	.	H	α-helix	trans	-62.6	-42.2	175.9	-73	173.2	170.9	0	0	111.6	K1023 E1024 H1029 N1030 L1033	K1023-E1027 VanDerWaalsContact CE-OE1 3.23Å; K1023-E1027 WeakPolarHBondContact CE-OE1 3.24Å; K1023-E1027 IonicContact NZ-OE1 3.41Å; K1023-E1027 PolarHBondContact NZ-OE1 3.44Å; K1023-E1027 WeakPolarHBondContact O-CG 3.22Å; K1023-E1027 PolarHBondContact O-N 3.35Å; E1024-E1027 PolarHBondContact O-N 3.12Å; E1027-H1029 PolarHBondContact O-N 3.3Å; E1027-N1030 PolarHBondContact O-N 3.06Å; E1027-N1030 VanDerWaalsContact O-N 3.11Å; E1027-L1033 HydrophobicContact CG-CD1 4.37Å
1028	Q	85.1	Confident	84.3	Confident	128 Å²	128	61.8 Å²	61.8	60%	0.598	33%	0.331	S	S	*	.	H	α-helix	trans	-60.1	-31.4	175.4	-76	169	16.7	0	0	113.3	E1024 I1025	E1024-Q1028 WeakPolarHBondContact O-CB 3.32Å; E1024-Q1028 WeakPolarHBondContact O-CG 3.32Å; E1024-Q1028 PolarHBondContact O-N 3.11Å; I1025-Q1028 PolarHBondContact O-N 3.44Å
1029	H	83.4	Confident	84.1	Confident	72 Å²	72	65 Å²	65	33%	0.333	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	12.9	179.4	-70	89.8	0	0	0	113.4	E922 I1025 M1026 E1027 M1031	E922-H1029 WeakPolarHBondContact CG-NE2 3.26Å; I1025-H1029 PolarHBondContact O-N 2.87Å; I1025-H1029 PolarHBondContact O-ND1 2.76Å; M1026-H1029 CarbonylContact O-C 3.57Å; M1026-H1029 PolarHBondContact O-N 2.82Å; E1027-H1029 PolarHBondContact O-N 3.3Å; H1029-M1031 VanDerWaalsContact C-N 3.28Å; H1029-M1031 HydrophobicContact CB-CE 3.64Å; H1029-M1031 PolarHBondContact O-N 2.86Å
1030	N	83.1	Confident	83.8	Confident	142 Å²	142	68.7 Å²	68.7	76%	0.759	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	31.7	-179.2	-55.8	-70.9	0	0	0	114.6	M1026 E1027	M1026-N1030 PolarHBondContact O-N 3.1Å; E1027-N1030 PolarHBondContact O-N 3.06Å; E1027-N1030 VanDerWaalsContact O-N 3.11Å
1031	M	82.9	Confident	83.7	Confident	24 Å²	24	68.5 Å²	68.5	12%	0.118	36%	0.363	C	S	.	.			trans	-85.7	119.3	172.7	-77.7	173.5	-66.1	0	0	110.5	F923 M1026 H1029 L1033	F923-M1031 HydrophobicContact CE2-CE 4.12Å; F923-M1031 HydrophobicContact CZ-CE 3.55Å; F923-M1031 HydrophobicContact CZ-SD 4.49Å; M1026-M1031 HydrophobicContact CB-CB 4.26Å; M1026-M1031 HydrophobicContact CB-CE 4.22Å; M1026-M1031 HydrophobicContact CG-CE 4.11Å; M1026-M1031 PolarHBondContact O-N 3.44Å; H1029-M1031 VanDerWaalsContact C-N 3.28Å; H1029-M1031 HydrophobicContact CB-CE 3.64Å; H1029-M1031 PolarHBondContact O-N 2.86Å; M1031-L1033 PolarHBondContact O-N 3.09Å
1032	N	81.5	Confident	84	Confident	124 Å²	124	67.8 Å²	67.8	66%	0.663	36%	0.362	S	S	*	.			trans	-75.1	123.4	-176.9	-70.4	-38.1	0	0	0	111.2	Q1034	N1032-Q1034 PolarHBondContact O-N 3.27Å
1033	L	84	Confident	84.1	Confident	57 Å²	57	67.8 Å²	67.8	30%	0.298	36%	0.362	S	S	.	.			trans	-82.2	110.3	176.8	-67.3	163.4	0	0	0	110.6	S942 L946 K1023 M1026 E1027 M1031	S942-L1033 WeakPolarHBondContact OG-CA 3.28Å; L946-L1033 HydrophobicContact CD2-CD2 4.02Å; K1023-L1033 HydrophobicContact CD-CD1 4.12Å; K1023-L1033 HydrophobicContact CG-CD1 3.41Å; K1023-L1033 VanDerWaalsContact CG-CD1 3.41Å; M1026-L1033 HydrophobicContact CE-CD2 3.71Å; M1026-L1033 HydrophobicContact SD-CD2 4Å; E1027-L1033 HydrophobicContact CG-CD1 4.37Å; M1031-L1033 PolarHBondContact O-N 3.09Å
1034	Q	86	Confident	84.2	Confident	91 Å²	91	66.1 Å²	66.1	43%	0.425	35%	0.354	S	S	.	.			trans	-118.9	156.9	172.8	-59.3	-170	29.1	0	0	111.3	N940 S942 E943 N1032	N940-Q1034 HydrophobicContact CB-CB 4.23Å; N940-Q1034 CarbonylContact O-C 3.54Å; N940-Q1034 VanDerWaalsContact O-C 3.24Å; N940-Q1034 WeakPolarHBondContact O-CB 3.39Å; N940-Q1034 PolarHBondContact OD1-OE1 2.87Å; S942-Q1034 PolarHBondContact N-O 2.75Å; S942-Q1034 VanDerWaalsContact N-O 3.16Å; S942-Q1034 PolarHBondContact OG-N 3.39Å; S942-Q1034 PolarHBondContact OG-O 3.11Å; E943-Q1034 PolarHBondContact N-O 3.01Å; N1032-Q1034 PolarHBondContact O-N 3.27Å
1035	S	84.2	Confident	84.3	Confident	64 Å²	64	64.9 Å²	64.9	45%	0.448	35%	0.349	S	S	.	.			trans	-134.1	141.1	179.1	168.1	0	0	0	0	108.6	E944	E944-S1035 WeakPolarHBondContact OE1-CA 3.29Å; E944-S1035 WeakPolarHBondContact OE1-CB 3.04Å; E944-S1035 PolarHBondContact OE1-OG 2.93Å; E944-S1035 WeakPolarHBondContact OE2-CA 3.37Å
1036	I	75.2	Confident	84.6	Confident	57 Å²	57	63.5 Å²	63.5	29%	0.292	34%	0.341	S	S	.	.			trans	-103.7	-7.3	-174.7	-60.1	-174	0	0	0	111.9	M939 N940 C941 E944 S1038 D1039 V1042	M939-I1036 VanDerWaalsContact O-CD1 3.25Å; M939-I1036 WeakPolarHBondContact O-CD1 3.3Å; N940-I1036 HydrophobicContact CB-CD1 4.04Å; N940-I1036 HydrophobicContact CB-CG1 4.36Å; N940-I1036 WeakPolarHBondContact O-CG1 3.41Å; C941-I1036 HydrophobicContact CB-CD1 3.92Å; C941-I1036 HydrophobicContact CB-CG1 4.37Å; E944-I1036 PolarHBondContact OE1-N 3.27Å; E944-I1036 VanDerWaalsContact OE1-N 3.08Å; I1036-S1038 PolarHBondContact O-N 3.35Å; I1036-D1039 HydrophobicContact CG2-CB 3.78Å; I1036-V1042 HydrophobicContact CD1-CB 4.19Å; I1036-V1042 HydrophobicContact CD1-CG1 3.67Å; I1036-V1042 HydrophobicContact CD1-CG2 4.49Å
1037	G	73.1	Confident	84.8	Confident	52 Å²	52	63.5 Å²	63.5	54%	0.536	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	-83.8	170.8	0	0	0	0	0	113.4	E944	E944-G1037 PolarHBondContact OE1-N 3.29Å
1038	S	72.4	Confident	84.9	Confident	101 Å²	101	59.1 Å²	59.1	71%	0.706	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.7	-8.8	-169.2	60.1	0	0	0	0	116	I1036 W1040	I1036-S1038 PolarHBondContact O-N 3.35Å; S1038-W1040 PolarHBondContact O-N 3.26Å
1039	D	81.3	Confident	85.1	Confident	77 Å²	77	53.3 Å²	53.3	41%	0.412	30%	0.295	S	S	.	.			trans	-85	94.8	177.7	-165.3	-22.3	0	0	0	110.6	I1036 D1041 V1042	I1036-D1039 HydrophobicContact CG2-CB 3.78Å; D1039-D1041 VanDerWaalsContact C-N 3.27Å; D1039-D1041 PolarHBondContact O-N 3.13Å; D1039-D1041 WeakPolarHBondContact OD1-CB 3.49Å; D1039-D1041 PolarHBondContact OD1-N 2.98Å; D1039-V1042 HydrophobicContact CB-CG2 4.34Å
1040	W	84.6	Confident	85.4	Confident	107 Å²	107	49.9 Å²	49.9	41%	0.405	28%	0.279	S	S	.	.	H	α-helix	trans	-73.6	-18.3	178.5	-58.7	119.7	0	0	0	113	L983 L986 S1038 V1043 R1044	L983-W1040 HydrophobicContact CD1-CB 3.89Å; L983-W1040 HydrophobicContact CD1-CD2 4.45Å; L983-W1040 HydrophobicContact CD1-CG 4.2Å; L983-W1040 HydrophobicContact CD2-CD2 4.37Å; L983-W1040 HydrophobicContact CD2-CE3 3.67Å; L983-W1040 HydrophobicContact CD2-CZ3 4.25Å; L986-W1040 HydrophobicContact CD2-CE3 4.47Å; L986-W1040 HydrophobicContact CD2-CH2 4.26Å; L986-W1040 HydrophobicContact CD2-CZ3 3.58Å; S1038-W1040 PolarHBondContact O-N 3.26Å; W1040-V1043 HydrophobicContact CE3-CG2 4.44Å; W1040-V1043 WeakPolarHBondContact O-CB 3.29Å; W1040-V1043 PolarHBondContact O-N 2.99Å; W1040-V1043 VanDerWaalsContact O-N 3.17Å; W1040-R1044 WeakPolarHBondContact O-CG 3.2Å; W1040-R1044 PolarHBondContact O-N 3.1Å
1041	D	88.3	Confident	85.7	Confident	67 Å²	67	43.2 Å²	43.2	36%	0.358	24%	0.243	S	C	.	.	H	α-helix	trans	-74.6	-34.2	-175	-71.3	-6.5	0	0	0	111.2	D1039 V1043 R1044 E1045 W1114	D1039-D1041 VanDerWaalsContact C-N 3.27Å; D1039-D1041 PolarHBondContact O-N 3.13Å; D1039-D1041 WeakPolarHBondContact OD1-CB 3.49Å; D1039-D1041 PolarHBondContact OD1-N 2.98Å; D1041-V1043 VanDerWaalsContact C-N 3.25Å; D1041-V1043 PolarHBondContact O-N 3.36Å; D1041-R1044 CarbonylContact O-C 3.6Å; D1041-R1044 PolarHBondContact O-N 3.46Å; D1041-R1044 IonicContact OD1-CZ 3.07Å; D1041-R1044 IonicContact OD1-NE 2.66Å; D1041-R1044 PolarHBondContact OD1-NE 2.87Å; D1041-R1044 IonicContact OD1-NH2 3.67Å; D1041-R1044 PolarHBondContact OD1-NH2 3.48Å; D1041-R1044 IonicContact OD2-NH2 2.68Å; D1041-E1045 WeakPolarHBondContact O-CB 3.33Å; D1041-E1045 PolarHBondContact O-N 2.79Å; D1041-W1114 HydrophobicContact CB-CH2 4.01Å; D1041-W1114 HydrophobicContact CB-CZ2 4.15Å
1042	V	89.6	Confident	85.8	Confident	28 Å²	28	42.3 Å²	42.3	17%	0.17	24%	0.239	C	C	.	.	H	α-helix	trans	-60.8	-36.2	169.5	-173.8	0	0	0	0	111.4	M939 C941 I1036 D1039 C1046	M939-V1042 HydrophobicContact CB-CG1 4.33Å; M939-V1042 HydrophobicContact CE-CG1 4.21Å; C941-V1042 HydrophobicContact CB-CG1 4.36Å; I1036-V1042 HydrophobicContact CD1-CB 4.19Å; I1036-V1042 HydrophobicContact CD1-CG1 3.67Å; I1036-V1042 HydrophobicContact CD1-CG2 4.49Å; D1039-V1042 HydrophobicContact CB-CG2 4.34Å; V1042-C1046 VanDerWaalsContact O-CB 3.25Å; V1042-C1046 WeakPolarHBondContact O-CB 3.47Å; V1042-C1046 PolarHBondContact O-N 2.84Å
1043	V	90.9	Very high	86	Confident	2 Å²	2	37 Å²	37	1%	0.012	21%	0.21	C	C	.	.	H	α-helix	trans	-70.8	-40.8	175.2	-173.9	0	0	0	0	110.8	C941 E944 I945 I948 L983 W1040 D1041 C1046 L1047	C941-V1043 HydrophobicContact CB-CG2 4.23Å; E944-V1043 HydrophobicContact CB-CG2 4.29Å; I945-V1043 HydrophobicContact CD1-CG1 3.88Å; I948-V1043 HydrophobicContact CD1-CG1 3.85Å; L983-V1043 HydrophobicContact CD2-CB 4.26Å; L983-V1043 HydrophobicContact CD2-CG1 3.87Å; W1040-V1043 HydrophobicContact CE3-CG2 4.44Å; W1040-V1043 WeakPolarHBondContact O-CB 3.29Å; W1040-V1043 PolarHBondContact O-N 2.99Å; W1040-V1043 VanDerWaalsContact O-N 3.17Å; D1041-V1043 VanDerWaalsContact C-N 3.25Å; D1041-V1043 PolarHBondContact O-N 3.36Å; V1043-C1046 PolarHBondContact O-N 2.94Å; V1043-L1047 HydrophobicContact CG1-CD1 4.44Å; V1043-L1047 WeakPolarHBondContact O-CG 3.46Å; V1043-L1047 PolarHBondContact O-N 3.17Å
1044	R	91.6	Very high	86.1	Confident	23 Å²	23	36.1 Å²	36.1	9%	0.087	21%	0.205	C	C	.	.	H	α-helix	trans	-64.9	-41.6	174.9	-66	-163.7	-78	-172.2	-12.9	112.1	E979 L983 W1040 D1041 L1047 C1048 T1108 S1109 W1114	E979-R1044 VanDerWaalsContact CD-CZ 3.44Å; E979-R1044 VanDerWaalsContact CD-NH2 3.33Å; E979-R1044 IonicContact OE1-CZ 2.67Å; E979-R1044 IonicContact OE1-NH1 3.4Å; E979-R1044 PolarHBondContact OE1-NH1 3.4Å; E979-R1044 IonicContact OE1-NH2 2.64Å; E979-R1044 PolarHBondContact OE1-NH2 2.8Å; E979-R1044 IonicContact OE2-CZ 3.7Å; E979-R1044 IonicContact OE2-NH1 3.96Å; E979-R1044 PolarHBondContact OE2-NH1 2.84Å; E979-R1044 IonicContact OE2-NH2 3.65Å; E979-R1044 PolarHBondContact OE2-NH2 3.24Å; L983-R1044 HydrophobicContact CD1-CG 4.39Å; W1040-R1044 WeakPolarHBondContact O-CG 3.2Å; W1040-R1044 PolarHBondContact O-N 3.1Å; D1041-R1044 CarbonylContact O-C 3.6Å; D1041-R1044 PolarHBondContact O-N 3.46Å; D1041-R1044 IonicContact OD1-CZ 3.07Å; D1041-R1044 IonicContact OD1-NE 2.66Å; D1041-R1044 PolarHBondContact OD1-NE 2.87Å; D1041-R1044 IonicContact OD1-NH2 3.67Å; D1041-R1044 PolarHBondContact OD1-NH2 3.48Å; D1041-R1044 IonicContact OD2-NH2 2.68Å; R1044-L1047 PolarHBondContact O-N 2.94Å; R1044-C1048 WeakPolarHBondContact O-CB 3.35Å; R1044-C1048 PolarHBondContact O-N 3.36Å; R1044-T1108 HydrophobicContact CB-CG2 4.44Å; R1044-T1108 HydrophobicContact CG-CG2 4.04Å; R1044-S1109 PolarHBondContact NH1-OG 2.83Å; R1044-W1114 HydrophobicContact CB-CE3 4.48Å; R1044-W1114 HydrophobicContact CB-CH2 4.15Å; R1044-W1114 HydrophobicContact CB-CZ3 3.6Å
1045	E	90.9	Very high	86.3	Confident	25 Å²	25	31.8 Å²	31.8	12%	0.117	18%	0.184	C	C	.	.	H	α-helix	trans	-65.7	-41.2	175.6	-172.8	174.3	-161	0	0	111.2	M939 D1041 C1048 A1049 K1117 V1118	M939-E1045 HydrophobicContact CE-CB 4.37Å; M939-E1045 HydrophobicContact CE-CG 4.06Å; D1041-E1045 WeakPolarHBondContact O-CB 3.33Å; D1041-E1045 PolarHBondContact O-N 2.79Å; E1045-C1048 CarbonylContact O-C 3.44Å; E1045-C1048 WeakPolarHBondContact O-CB 3.43Å; E1045-C1048 PolarHBondContact O-N 2.94Å; E1045-A1049 WeakPolarHBondContact O-CB 3.34Å; E1045-A1049 PolarHBondContact O-N 3.38Å; E1045-K1117 WeakPolarHBondContact OE1-CD 3.47Å; E1045-K1117 VanDerWaalsContact OE1-CE 3.32Å; E1045-K1117 WeakPolarHBondContact OE1-CE 3.49Å; E1045-K1117 IonicContact OE1-NZ 3.11Å; E1045-K1117 PolarHBondContact OE1-NZ 3.48Å; E1045-K1117 IonicContact OE2-NZ 3.96Å; E1045-V1118 HydrophobicContact CG-CG2 4.5Å
1046	C	92.1	Very high	86.6	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-62.5	-42.2	174.5	-173.3	0	0	0	0	112.5	L932 I945 V1042 V1043 A1049	L932-C1046 WeakPolarHBondContact CD1-O 3.46Å; I945-C1046 HydrophobicContact CD1-CB 4.36Å; V1042-C1046 VanDerWaalsContact O-CB 3.25Å; V1042-C1046 WeakPolarHBondContact O-CB 3.47Å; V1042-C1046 PolarHBondContact O-N 2.84Å; V1043-C1046 PolarHBondContact O-N 2.94Å; C1046-A1049 WeakPolarHBondContact O-CB 3.38Å; C1046-A1049 PolarHBondContact O-N 3.33Å
1047	L	92.5	Very high	87.3	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.2	-43.3	172	-71.4	166.6	0	0	0	111.3	L932 I945 H982 V1043 R1044 A1049 T1050 F1051 I1092	L932-L1047 HydrophobicContact CD1-CD2 4.13Å; L932-L1047 HydrophobicContact CD2-CD2 3.74Å; I945-L1047 HydrophobicContact CD1-CD2 4.36Å; I945-L1047 HydrophobicContact CD1-CG 4.29Å; H982-L1047 HydrophobicContact CB-CD1 3.68Å; V1043-L1047 HydrophobicContact CG1-CD1 4.44Å; V1043-L1047 WeakPolarHBondContact O-CG 3.46Å; V1043-L1047 PolarHBondContact O-N 3.17Å; R1044-L1047 PolarHBondContact O-N 2.94Å; L1047-A1049 VanDerWaalsContact C-N 3.31Å; L1047-A1049 PolarHBondContact O-N 2.87Å; L1047-T1050 PolarHBondContact O-N 2.97Å; L1047-F1051 HydrophobicContact CD2-CD2 4.29Å; L1047-F1051 HydrophobicContact CD2-CE2 4.13Å; L1047-F1051 PolarHBondContact O-N 2.85Å; L1047-I1092 HydrophobicContact CB-CD1 3.67Å
1048	C	91.4	Very high	88	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59.3	-40.1	174.7	-170.8	0	0	0	0	111.9	R1044 E1045 T1050 F1051 F1052 V1110 L1115	R1044-C1048 WeakPolarHBondContact O-CB 3.35Å; R1044-C1048 PolarHBondContact O-N 3.36Å; E1045-C1048 CarbonylContact O-C 3.44Å; E1045-C1048 WeakPolarHBondContact O-CB 3.43Å; E1045-C1048 PolarHBondContact O-N 2.94Å; C1048-T1050 PolarHBondContact O-N 3.06Å; C1048-T1050 VanDerWaalsContact O-N 3.12Å; C1048-F1051 PolarHBondContact O-N 2.79Å; C1048-F1052 WeakPolarHBondContact O-CB 3.27Å; C1048-F1052 PolarHBondContact O-N 3.27Å; C1048-V1110 HydrophobicContact CB-CG1 4.09Å; C1048-L1115 VanDerWaalsContact SG-CD2 3.58Å
1049	A	89.2	Confident	88.6	Confident	7 Å²	7	34 Å²	34	6%	0.058	15%	0.154	C	C	.	.	H	α-helix	trans	-61.1	-21.3	179.6	0	0	0	0	0	114.7	I935 E1045 C1046 L1047 F1052 V1118	I935-A1049 HydrophobicContact CD1-CB 4.34Å; I935-A1049 HydrophobicContact CG2-CB 4.14Å; E1045-A1049 WeakPolarHBondContact O-CB 3.34Å; E1045-A1049 PolarHBondContact O-N 3.38Å; C1046-A1049 WeakPolarHBondContact O-CB 3.38Å; C1046-A1049 PolarHBondContact O-N 3.33Å; L1047-A1049 VanDerWaalsContact C-N 3.31Å; L1047-A1049 PolarHBondContact O-N 2.87Å; A1049-F1052 WeakPolarHBondContact O-CD1 3.3Å; A1049-F1052 WeakPolarHBondContact O-CE1 3.48Å; A1049-V1118 VanDerWaalsContact CA-CG1 3.48Å; A1049-V1118 HydrophobicContact CB-CB 4.46Å; A1049-V1118 HydrophobicContact CB-CG1 3.56Å
1050	T	88.1	Confident	88.3	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-102.1	-49.6	176.4	-60	0	0	0	0	111.5	A928 K931 L932 L1047 C1048 H1053	A928-T1050 HydrophobicContact CB-CG2 4.19Å; A928-T1050 WeakPolarHBondContact O-CG2 3.42Å; K931-T1050 HydrophobicContact CB-CG2 4.41Å; K931-T1050 HydrophobicContact CD-CG2 4.44Å; K931-T1050 HydrophobicContact CG-CG2 4.47Å; L932-T1050 WeakPolarHBondContact CA-OG1 3.34Å; L932-T1050 HydrophobicContact CB-CG2 4.1Å; L932-T1050 WeakPolarHBondContact CD1-OG1 3.39Å; L1047-T1050 PolarHBondContact O-N 2.97Å; C1048-T1050 PolarHBondContact O-N 3.06Å; C1048-T1050 VanDerWaalsContact O-N 3.12Å; T1050-H1053 PolarHBondContact O-ND1 3.23Å; T1050-H1053 VanDerWaalsContact O-ND1 3.08Å
1051	F	89.6	Confident	87.7	Confident	1 Å²	1	32.3 Å²	32.3	0%	0.004	16%	0.159	C	C	.	.	H	α-helix	trans	-93.6	12.5	-170.3	-61.8	-61.9	0	0	0	114.4	A928 L929 L932 L1047 C1048 H1053 Q1054 I1092 H1094	A928-F1051 HydrophobicContact CB-CE1 3.84Å; L929-F1051 HydrophobicContact CD2-CZ 4.17Å; L932-F1051 HydrophobicContact CD2-CE2 3.99Å; L1047-F1051 HydrophobicContact CD2-CD2 4.29Å; L1047-F1051 HydrophobicContact CD2-CE2 4.13Å; L1047-F1051 PolarHBondContact O-N 2.85Å; C1048-F1051 PolarHBondContact O-N 2.79Å; F1051-H1053 PolarHBondContact O-N 2.99Å; F1051-Q1054 CarbonylContact O-C 3.58Å; F1051-Q1054 WeakPolarHBondContact O-CA 3.48Å; F1051-Q1054 PolarHBondContact O-N 2.88Å; F1051-I1092 HydrophobicContact CB-CB 4.22Å; F1051-I1092 HydrophobicContact CB-CD1 4.33Å; F1051-H1094 AromaticContact CE1-ND1 3.56Å; F1051-H1094 AromaticContact CZ-ND1 3.35Å; F1051-H1094 VanDerWaalsContact CZ-ND1 3.35Å; F1051-H1094 WeakPolarHBondContact CZ-ND1 3.48Å
1052	F	86.2	Confident	86.8	Confident	6 Å²	6	29.9 Å²	29.9	3%	0.026	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-51.4	-33.6	174.8	64.4	-95.3	0	0	0	113.2	I903 C1048 A1049 Q1054 A1055 L1115 F1122 Y1123	I903-F1052 HydrophobicContact CG2-CE2 3.73Å; I903-F1052 HydrophobicContact CG2-CZ 3.65Å; C1048-F1052 WeakPolarHBondContact O-CB 3.27Å; C1048-F1052 PolarHBondContact O-N 3.27Å; A1049-F1052 WeakPolarHBondContact O-CD1 3.3Å; A1049-F1052 WeakPolarHBondContact O-CE1 3.48Å; F1052-Q1054 PolarHBondContact O-N 2.88Å; F1052-A1055 WeakPolarHBondContact O-CB 3.42Å; F1052-A1055 PolarHBondContact O-N 3.45Å; F1052-L1115 HydrophobicContact CB-CD2 3.93Å; F1052-F1122 HydrophobicContact CD2-CD2 4.26Å; F1052-F1122 AromaticContact CE2-CD2 3.67Å; F1052-F1122 HydrophobicContact CE2-CD2 3.67Å; F1052-F1122 HydrophobicContact CE2-CE2 4.04Å; F1052-Y1123 HydrophobicContact CB-CE2 4.15Å; F1052-Y1123 HydrophobicContact CD2-CE2 4.23Å; F1052-Y1123 WeakPolarHBondContact O-CE2 3.26Å; F1052-Y1123 PolarHBondContact O-OH 2.9Å
1053	H	84.1	Confident	86.5	Confident	13 Å²	13	32.8 Å²	32.8	6%	0.06	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-73.1	-12.3	178.5	74.6	-74.6	0	0	0	114.5	I903 F904 T1050 F1051 R1068	I903-H1053 HydrophobicContact CG2-CB 3.85Å; F904-H1053 AromaticContact CE1-CE1 3.42Å; F904-H1053 VanDerWaalsContact CE1-CE1 3.42Å; F904-H1053 WeakPolarHBondContact CE1-CE1 3.37Å; F904-H1053 AromaticContact CE1-ND1 3.79Å; F904-H1053 AromaticContact CE1-NE2 3.95Å; F904-H1053 AromaticContact CZ-CE1 3.76Å; F904-H1053 AromaticContact CZ-NE2 3.84Å; T1050-H1053 PolarHBondContact O-ND1 3.23Å; T1050-H1053 VanDerWaalsContact O-ND1 3.08Å; F1051-H1053 PolarHBondContact O-N 2.99Å; H1053-R1068 PolarHBondContact O-NE 3.36Å; H1053-R1068 PolarHBondContact O-NH2 2.92Å
1054	Q	87.2	Confident	86.4	Confident	38 Å²	38	32.8 Å²	32.8	18%	0.178	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-111.8	36.2	172.1	-75.5	172.1	-34.6	0	0	110.3	F1051 F1052 Y1093 H1094	F1051-Q1054 CarbonylContact O-C 3.58Å; F1051-Q1054 WeakPolarHBondContact O-CA 3.48Å; F1051-Q1054 PolarHBondContact O-N 2.88Å; F1052-Q1054 PolarHBondContact O-N 2.88Å; Q1054-Y1093 HydrophobicContact CB-CD1 4.47Å; Q1054-Y1093 HydrophobicContact CB-CD2 4.12Å; Q1054-Y1093 HydrophobicContact CB-CE1 4.15Å; Q1054-Y1093 HydrophobicContact CB-CE2 3.77Å; Q1054-Y1093 HydrophobicContact CB-CG 4.45Å; Q1054-Y1093 WeakPolarHBondContact CB-O 3.28Å; Q1054-Y1093 HydrophobicContact CG-CD2 4.41Å; Q1054-Y1093 HydrophobicContact CG-CE2 3.78Å; Q1054-Y1093 WeakPolarHBondContact O-CD1 3.44Å; Q1054-Y1093 WeakPolarHBondContact O-CE1 3.25Å; Q1054-Y1093 PolarHBondContact O-N 3.04Å; Q1054-Y1093 PolarHBondContact OE1-O 3.32Å; Q1054-H1094 PolarHBondContact NE2-O 3.18Å; Q1054-H1094 PolarHBondContact OE1-O 2.81Å
1055	A	90.2	Very high	86.3	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	140.4	173	0	0	0	0	0	112.1	F1052 L1067 V1091 I1092 L1115	F1052-A1055 WeakPolarHBondContact O-CB 3.42Å; F1052-A1055 PolarHBondContact O-N 3.45Å; A1055-L1067 HydrophobicContact CB-CD1 3.84Å; A1055-L1067 WeakPolarHBondContact O-CB 3.26Å; A1055-L1067 PolarHBondContact O-N 2.93Å; A1055-V1091 CarbonylContact C-O 3.57Å; A1055-V1091 VanDerWaalsContact CA-O 3.31Å; A1055-V1091 WeakPolarHBondContact CA-O 3.06Å; A1055-I1092 HydrophobicContact CB-CG2 4.22Å; A1055-L1115 HydrophobicContact CB-CD1 4.11Å; A1055-L1115 HydrophobicContact CB-CD2 3.71Å
1056	A	90.5	Very high	86.1	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	146.4	175.6	0	0	0	0	0	111.2	Y1064 V1065 V1091 Y1093 M1104	A1056-Y1064 HydrophobicContact CB-CD1 4.33Å; A1056-V1065 CarbonylContact C-O 3.53Å; A1056-V1065 VanDerWaalsContact CA-O 3.32Å; A1056-V1065 WeakPolarHBondContact CA-O 3.46Å; A1056-V1091 HydrophobicContact CB-CG2 4.05Å; A1056-V1091 PolarHBondContact N-O 2.9Å; A1056-V1091 PolarHBondContact O-N 3.06Å; A1056-Y1093 HydrophobicContact CB-CD1 4.48Å; A1056-Y1093 HydrophobicContact CB-CE1 4.33Å; A1056-M1104 HydrophobicContact CB-CE 4.47Å; A1056-M1104 HydrophobicContact CB-SD 3.73Å
1057	R	89.6	Confident	85.7	Confident	122 Å²	122	32.3 Å²	32.3	46%	0.46	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	149.3	174.2	63.5	175	-177.2	176.8	2.5	111.1	Y1064 V1065 L1067 D1089 Y1090	R1057-Y1064 CarbonylContact O-C 3.36Å; R1057-Y1064 VanDerWaalsContact O-CA 3.24Å; R1057-Y1064 WeakPolarHBondContact O-CA 3.35Å; R1057-Y1064 WeakPolarHBondContact O-CD1 3.23Å; R1057-V1065 HydrophobicContact CG-CB 4.36Å; R1057-V1065 PolarHBondContact N-O 3.34Å; R1057-V1065 PolarHBondContact O-N 2.97Å; R1057-L1067 HydrophobicContact CB-CD2 3.88Å; R1057-L1067 HydrophobicContact CB-CG 4.46Å; R1057-L1067 HydrophobicContact CG-CD2 3.85Å; R1057-D1089 WeakPolarHBondContact CA-O 3.49Å; R1057-Y1090 HydrophobicContact CB-CD1 4.05Å; R1057-Y1090 HydrophobicContact CB-CE1 3.91Å
1058	I	88.7	Confident	85	Confident	44 Å²	44	34.9 Å²	34.9	23%	0.226	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	141.4	172.7	-161.8	170.8	0	0	0	111.1	G1060 Y1064 T1087 D1089	I1058-G1060 WeakPolarHBondContact CG1-O 3.44Å; I1058-Y1064 HydrophobicContact CB-CD1 4.26Å; I1058-Y1064 HydrophobicContact CB-CE1 3.8Å; I1058-Y1064 HydrophobicContact CG1-CE1 4.27Å; I1058-Y1064 HydrophobicContact CG1-CE2 4.36Å; I1058-T1087 VanDerWaalsContact CD1-OG1 3.25Å; I1058-T1087 WeakPolarHBondContact CD1-OG1 3.32Å; I1058-D1089 HydrophobicContact CG2-CB 4.43Å; I1058-D1089 PolarHBondContact N-O 2.76Å
1059	K	84.8	Confident	84.4	Confident	154 Å²	154	37.9 Å²	37.9	67%	0.67	19%	0.19	S	C	*	.			trans	-121.2	-35.7	169.3	-178.5	-176.3	174.8	-169.8	0	111.7	E1063 V1065	K1059-E1063 PolarHBondContact N-O 3.34Å; K1059-V1065 HydrophobicContact CB-CG2 3.94Å; K1059-V1065 HydrophobicContact CD-CG2 3.75Å; K1059-V1065 HydrophobicContact CG-CG2 4.4Å
1060	G	75.4	Confident	84	Confident	27 Å²	27	39.5 Å²	39.5	28%	0.278	21%	0.207	S	C	.	.	S	Bend	trans	-154	-169.3	-178.1	0	0	0	0	0	112.4	I1058 G1062 E1063	I1058-G1060 WeakPolarHBondContact CG1-O 3.44Å; G1060-G1062 PolarHBondContact O-N 3.02Å; G1060-E1063 PolarHBondContact N-O 3.26Å; G1060-E1063 PolarHBondContact O-N 3.46Å
1061	L	71.1	Confident	83.7	Confident	121 Å²	121	40.9 Å²	40.9	63%	0.634	21%	0.214	S	C	*	.	S	Bend	trans	-68.6	104.5	176.8	-72.7	164.1	0	0	0	110	E1063	L1061-E1063 PolarHBondContact O-N 2.91Å
1062	G	69.6	Low	83.6	Confident	17 Å²	17	44.3 Å²	44.3	18%	0.175	24%	0.237	C	C	.	.	S	Bend	trans	72.9	0.5	-177.2	0	0	0	0	0	114.8	G1060 L1075	G1060-G1062 PolarHBondContact O-N 3.02Å; G1062-L1075 PolarHBondContact O-N 2.99Å
1063	E	84	Confident	83.6	Confident	89 Å²	89	44.1 Å²	44.1	42%	0.416	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	120.9	174	-57.4	-160.6	151.2	0	0	110.3	K1059 G1060 L1061 H1074	K1059-E1063 PolarHBondContact N-O 3.34Å; G1060-E1063 PolarHBondContact N-O 3.26Å; G1060-E1063 PolarHBondContact O-N 3.46Å; L1061-E1063 PolarHBondContact O-N 2.91Å; E1063-H1074 IonicContact OE1-CE1 3.56Å
1064	Y	88.6	Confident	83.7	Confident	1 Å²	1	45 Å²	45	0%	0.004	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	164.6	175.1	-76.6	-101.6	0	0	0	109.8	A1056 R1057 I1058 C1073 L1075 P1088 V1091 M1104	A1056-Y1064 HydrophobicContact CB-CD1 4.33Å; R1057-Y1064 CarbonylContact O-C 3.36Å; R1057-Y1064 VanDerWaalsContact O-CA 3.24Å; R1057-Y1064 WeakPolarHBondContact O-CA 3.35Å; R1057-Y1064 WeakPolarHBondContact O-CD1 3.23Å; I1058-Y1064 HydrophobicContact CB-CD1 4.26Å; I1058-Y1064 HydrophobicContact CB-CE1 3.8Å; I1058-Y1064 HydrophobicContact CG1-CE1 4.27Å; I1058-Y1064 HydrophobicContact CG1-CE2 4.36Å; Y1064-C1073 CarbonylContact C-O 3.53Å; Y1064-C1073 WeakPolarHBondContact CA-O 3.39Å; Y1064-C1073 PolarHBondContact N-O 3.46Å; Y1064-C1073 PolarHBondContact O-N 3.39Å; Y1064-L1075 HydrophobicContact CD2-CD1 4.29Å; Y1064-L1075 HydrophobicContact CD2-CD2 4.44Å; Y1064-L1075 HydrophobicContact CD2-CG 3.9Å; Y1064-L1075 HydrophobicContact CE2-CD1 3.59Å; Y1064-L1075 HydrophobicContact CE2-CD2 4.25Å; Y1064-L1075 HydrophobicContact CE2-CG 3.71Å; Y1064-P1088 PolarHBondContact OH-O 2.67Å; Y1064-V1091 HydrophobicContact CD1-CG2 3.61Å; Y1064-V1091 HydrophobicContact CE1-CB 4.4Å; Y1064-V1091 HydrophobicContact CE1-CG1 3.86Å; Y1064-V1091 HydrophobicContact CE1-CG2 3.69Å; Y1064-V1091 HydrophobicContact CG-CG2 4.38Å; Y1064-M1104 HydrophobicContact CD1-CE 4.38Å; Y1064-M1104 HydrophobicContact CD2-CE 3.93Å; Y1064-M1104 HydrophobicContact CG-CE 3.68Å
1065	V	88.4	Confident	83.7	Confident	15 Å²	15	43.5 Å²	43.5	9%	0.091	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	125.2	173.1	175.3	0	0	0	0	108.2	A1056 R1057 K1059 L1067 G1070 M1071	A1056-V1065 CarbonylContact C-O 3.53Å; A1056-V1065 VanDerWaalsContact CA-O 3.32Å; A1056-V1065 WeakPolarHBondContact CA-O 3.46Å; R1057-V1065 HydrophobicContact CG-CB 4.36Å; R1057-V1065 PolarHBondContact N-O 3.34Å; R1057-V1065 PolarHBondContact O-N 2.97Å; K1059-V1065 HydrophobicContact CB-CG2 3.94Å; K1059-V1065 HydrophobicContact CD-CG2 3.75Å; K1059-V1065 HydrophobicContact CG-CG2 4.4Å; V1065-L1067 PolarHBondContact O-N 3.46Å; V1065-G1070 WeakPolarHBondContact CG1-O 3.39Å; V1065-M1071 CarbonylContact C-O 3.57Å; V1065-M1071 WeakPolarHBondContact CA-O 3.34Å
1066	N	86.6	Confident	83.3	Confident	5 Å²	5	44 Å²	44	3%	0.027	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	127.2	173.9	178.2	-48.4	0	0	0	109.7	R1068 T1069 G1070 M1071 Y1093	N1066-R1068 VanDerWaalsContact C-N 3.29Å; N1066-R1068 PolarHBondContact O-N 3.04Å; N1066-R1068 PolarHBondContact OD1-N 2.89Å; N1066-T1069 WeakPolarHBondContact CB-OG1 3.41Å; N1066-T1069 PolarHBondContact OD1-N 3.19Å; N1066-T1069 PolarHBondContact OD1-OG1 2.87Å; N1066-G1070 WeakPolarHBondContact O-CA 3.49Å; N1066-G1070 PolarHBondContact O-N 3.18Å; N1066-M1071 PolarHBondContact N-O 3.44Å; N1066-Y1093 PolarHBondContact ND2-OH 3.44Å
1067	L	84.4	Confident	82.7	Confident	18 Å²	18	44.5 Å²	44.5	9%	0.094	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-33.9	-174.2	-78.1	175.7	0	0	0	113.3	V385 A1055 R1057 V1065 Y1090 L1115 Y1123	V385-L1067 HydrophobicContact CG2-CB 4.16Å; V385-L1067 HydrophobicContact CG2-CD2 4.07Å; A1055-L1067 HydrophobicContact CB-CD1 3.84Å; A1055-L1067 WeakPolarHBondContact O-CB 3.26Å; A1055-L1067 PolarHBondContact O-N 2.93Å; R1057-L1067 HydrophobicContact CB-CD2 3.88Å; R1057-L1067 HydrophobicContact CB-CG 4.46Å; R1057-L1067 HydrophobicContact CG-CD2 3.85Å; V1065-L1067 PolarHBondContact O-N 3.46Å; L1067-Y1090 HydrophobicContact CD1-CD1 4.06Å; L1067-Y1090 HydrophobicContact CD1-CE1 4.11Å; L1067-Y1090 HydrophobicContact CD2-CE1 4.2Å; L1067-L1115 HydrophobicContact CD1-CD1 4.38Å; L1067-Y1123 HydrophobicContact CB-CE1 3.95Å; L1067-Y1123 HydrophobicContact CD1-CD1 4.43Å; L1067-Y1123 HydrophobicContact CD1-CE1 3.74Å; L1067-Y1123 HydrophobicContact CG-CE1 4.44Å
1068	R	78.1	Confident	82.1	Confident	54 Å²	54	39.7 Å²	39.7	20%	0.204	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-45	-173.8	-177.3	173.3	57.8	152.7	2.4	112.7	I903 H1053 N1066	I903-R1068 VanDerWaalsContact CD1-NH1 3.28Å; H1053-R1068 PolarHBondContact O-NE 3.36Å; H1053-R1068 PolarHBondContact O-NH2 2.92Å; N1066-R1068 VanDerWaalsContact C-N 3.29Å; N1066-R1068 PolarHBondContact O-N 3.04Å; N1066-R1068 PolarHBondContact OD1-N 2.89Å
1069	T	78.5	Confident	81.7	Confident	63 Å²	63	37.7 Å²	37.7	39%	0.387	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-18.6	-177.1	61.6	0	0	0	0	113.4	N1066 M1071	N1066-T1069 WeakPolarHBondContact CB-OG1 3.41Å; N1066-T1069 PolarHBondContact OD1-N 3.19Å; N1066-T1069 PolarHBondContact OD1-OG1 2.87Å; T1069-M1071 PolarHBondContact O-N 3.25Å; T1069-M1071 WeakPolarHBondContact OG1-CB 3.3Å; T1069-M1071 PolarHBondContact OG1-N 3.08Å
1070	G	80.3	Confident	81.4	Confident	41 Å²	41	30.5 Å²	30.5	42%	0.423	18%	0.182	S	C	.	.			trans	69.4	8.6	-172	0	0	0	0	0	113.9	V1065 N1066	V1065-G1070 WeakPolarHBondContact CG1-O 3.39Å; N1066-G1070 WeakPolarHBondContact O-CA 3.49Å; N1066-G1070 PolarHBondContact O-N 3.18Å
1071	M	82	Confident	81.6	Confident	30 Å²	30	29.5 Å²	29.5	15%	0.148	17%	0.17	C	C	.	.			trans	-71.4	136.8	-179.6	-165.8	-176.6	-159.6	0	0	111	I809 M811 V1065 N1066 T1069 L1096 E1102	I809-M1071 HydrophobicContact CD1-CE 4.09Å; I809-M1071 HydrophobicContact CG2-CE 3.79Å; I809-M1071 HydrophobicContact CG2-SD 3.28Å; I809-M1071 WeakPolarHBondContact CG2-SD 3.46Å; M811-M1071 HydrophobicContact CE-CE 4.19Å; M811-M1071 HydrophobicContact SD-CE 4.46Å; M811-M1071 HydrophobicContact SD-SD 4.41Å; V1065-M1071 CarbonylContact C-O 3.57Å; V1065-M1071 WeakPolarHBondContact CA-O 3.34Å; N1066-M1071 PolarHBondContact N-O 3.44Å; T1069-M1071 PolarHBondContact O-N 3.25Å; T1069-M1071 WeakPolarHBondContact OG1-CB 3.3Å; T1069-M1071 PolarHBondContact OG1-N 3.08Å; M1071-L1096 HydrophobicContact SD-CD2 4.4Å; M1071-E1102 HydrophobicContact CE-CG 3.58Å; M1071-E1102 WeakPolarHBondContact CE-OE1 3.24Å; M1071-E1102 HydrophobicContact SD-CG 4.29Å
1072	P	86.7	Confident	81.7	Confident	73 Å²	73	25.9 Å²	25.9	47%	0.474	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	137.9	167.1	30	-34.5	0	0	0	110.1
1073	C	86.6	Confident	81.4	Confident	1 Å²	1	26 Å²	26	1%	0.007	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	145	176.5	-50.4	0	0	0	0	109	Y1064 L1096 M1104	Y1064-C1073 CarbonylContact C-O 3.53Å; Y1064-C1073 WeakPolarHBondContact CA-O 3.39Å; Y1064-C1073 PolarHBondContact N-O 3.46Å; Y1064-C1073 PolarHBondContact O-N 3.39Å; C1073-L1096 HydrophobicContact CB-CD1 3.96Å; C1073-M1104 HydrophobicContact CB-CE 4.47Å; C1073-M1104 HydrophobicContact CB-CG 3.71Å; C1073-M1104 HydrophobicContact CB-SD 3.8Å
1074	H	86.8	Confident	80.3	Confident	33 Å²	33	24.3 Å²	24.3	15%	0.153	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	149.4	177.7	-63.1	-78.8	0	0	0	110.7	E1063 H1076 E1102 Y1103 M1104	E1063-H1074 IonicContact OE1-CE1 3.56Å; H1074-H1076 PolarHBondContact O-N 3.35Å; H1074-E1102 PolarHBondContact N-O 3.23Å; H1074-Y1103 HydrophobicContact CB-CD1 3.84Å; H1074-Y1103 HydrophobicContact CB-CE1 3.93Å; H1074-Y1103 CarbonylContact O-C 3.52Å; H1074-Y1103 WeakPolarHBondContact O-CA 3.31Å; H1074-M1104 PolarHBondContact O-N 2.93Å
1075	L	86.4	Confident	79	Confident	5 Å²	5	26.9 Å²	26.9	3%	0.026	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	129.3	167.2	-73.5	172.4	0	0	0	109.2	G1062 Y1064 L1081 Y1082 M1104 V1107	G1062-L1075 PolarHBondContact O-N 2.99Å; Y1064-L1075 HydrophobicContact CD2-CD1 4.29Å; Y1064-L1075 HydrophobicContact CD2-CD2 4.44Å; Y1064-L1075 HydrophobicContact CD2-CG 3.9Å; Y1064-L1075 HydrophobicContact CE2-CD1 3.59Å; Y1064-L1075 HydrophobicContact CE2-CD2 4.25Å; Y1064-L1075 HydrophobicContact CE2-CG 3.71Å; L1075-L1081 HydrophobicContact CD1-CB 4.29Å; L1075-Y1082 HydrophobicContact CB-CD2 4.2Å; L1075-M1104 HydrophobicContact CD2-CE 3.83Å; L1075-M1104 HydrophobicContact CG-CE 4.27Å; L1075-V1107 HydrophobicContact CD2-CB 4.19Å; L1075-V1107 HydrophobicContact CD2-CG1 3.83Å; L1075-V1107 HydrophobicContact CD2-CG2 3.92Å
1076	H	82.5	Confident	78	Confident	10 Å²	10	34.6 Å²	34.6	5%	0.046	20%	0.198	C	C	.	.			trans	-63.5	135.3	171.9	-167.2	-90.8	0	0	0	109.7	H309 H1074 T1078 S1079 Y1103 M1104	H309-H1076 AromaticContact CD2-CE1 3.24Å; H309-H1076 PolarHBondContact CD2-CE1 3.41Å; H309-H1076 AromaticContact CD2-NE2 3.61Å; H309-H1076 AromaticContact NE2-CE1 3.3Å; H309-H1076 PolarHBondContact NE2-CE1 3.02Å; H309-H1076 VanDerWaalsContact NE2-CE1 3.3Å; H309-H1076 AromaticContact NE2-ND1 3.72Å; H1074-H1076 PolarHBondContact O-N 3.35Å; H1076-T1078 WeakPolarHBondContact ND1-CG2 3.24Å; H1076-T1078 PolarHBondContact ND1-N 3.15Å; H1076-T1078 PolarHBondContact ND1-OG1 2.8Å; H1076-T1078 PolarHBondContact O-N 3.33Å; H1076-S1079 WeakPolarHBondContact O-CB 3.34Å; H1076-S1079 PolarHBondContact O-N 2.93Å; H1076-Y1103 AromaticContact CD2-CG 3.88Å; H1076-M1104 WeakPolarHBondContact CB-O 3.4Å; H1076-M1104 PolarHBondContact N-O 3.47Å
1077	P	77.4	Confident	77.4	Confident	11 Å²	11	36 Å²	36	7%	0.071	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-1.5	-169	-18.1	31.6	0	0	0	115.5	I314 Y1082	I314-P1077 HydrophobicContact CD1-CB 3.65Å; I314-P1077 HydrophobicContact CD1-CG 4.24Å; P1077-Y1082 HydrophobicContact CB-CD1 3.72Å; P1077-Y1082 HydrophobicContact CB-CE1 3.67Å; P1077-Y1082 HydrophobicContact CB-CE2 4.45Å; P1077-Y1082 HydrophobicContact CB-CG 4.17Å
1078	T	77.5	Confident	77.3	Confident	22 Å²	22	35.3 Å²	35.3	14%	0.135	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-24.2	169.8	50.4	0	0	0	0	114.5	F311 R972 H1076	F311-T1078 HydrophobicContact CB-CG2 3.14Å; F311-T1078 HydrophobicContact CD1-CG2 3.69Å; F311-T1078 HydrophobicContact CD2-CG2 3.28Å; F311-T1078 HydrophobicContact CE1-CG2 4.35Å; F311-T1078 HydrophobicContact CE2-CG2 4Å; F311-T1078 HydrophobicContact CG-CG2 3.11Å; F311-T1078 HydrophobicContact CZ-CG2 4.49Å; R972-T1078 PolarHBondContact NH1-O 3.49Å; H1076-T1078 WeakPolarHBondContact ND1-CG2 3.24Å; H1076-T1078 PolarHBondContact ND1-N 3.15Å; H1076-T1078 PolarHBondContact ND1-OG1 2.8Å; H1076-T1078 PolarHBondContact O-N 3.33Å
1079	S	80	Confident	77.7	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.007	21%	0.206	C	C	.	.	S	Bend	trans	-59.7	139.3	-175.7	-174.2	0	0	0	0	109.9	D981 H1076 L1081 Y1082	D981-S1079 VanDerWaalsContact CG-OG 3.28Å; D981-S1079 WeakPolarHBondContact OD1-CA 3.48Å; D981-S1079 PolarHBondContact OD1-OG 2.79Å; D981-S1079 WeakPolarHBondContact OD2-CA 3.34Å; D981-S1079 WeakPolarHBondContact OD2-CB 3.26Å; D981-S1079 PolarHBondContact OD2-OG 3.44Å; H1076-S1079 WeakPolarHBondContact O-CB 3.34Å; H1076-S1079 PolarHBondContact O-N 2.93Å; S1079-L1081 PolarHBondContact O-N 3.3Å; S1079-L1081 PolarHBondContact OG-N 3.47Å; S1079-Y1082 WeakPolarHBondContact O-CA 3.35Å; S1079-Y1082 WeakPolarHBondContact O-CB 3.49Å; S1079-Y1082 PolarHBondContact O-N 3.22Å
1080	A	78.6	Confident	78.2	Confident	3 Å²	3	33.2 Å²	33.2	3%	0.025	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-36.9	170.3	0	0	0	0	0	110.6	Q976 D981 Y1082 M1084	Q976-A1080 HydrophobicContact CB-CB 4.03Å; Q976-A1080 HydrophobicContact CG-CB 3.91Å; D981-A1080 WeakPolarHBondContact OD1-CB 3.4Å; D981-A1080 PolarHBondContact OD1-N 2.95Å; A1080-Y1082 PolarHBondContact O-N 3.35Å; A1080-M1084 WeakPolarHBondContact O-CE 3.4Å
1081	L	79.3	Confident	78.8	Confident	6 Å²	6	31.3 Å²	31.3	3%	0.031	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-24	174.6	-66.1	165.8	0	0	0	112.8	P978 L1075 S1079 G1083 M1084 P1088 V1091 V1107	P978-L1081 WeakPolarHBondContact O-CD2 3.18Å; L1075-L1081 HydrophobicContact CD1-CB 4.29Å; S1079-L1081 PolarHBondContact O-N 3.3Å; S1079-L1081 PolarHBondContact OG-N 3.47Å; L1081-G1083 PolarHBondContact O-N 2.98Å; L1081-M1084 HydrophobicContact CD2-CE 4.29Å; L1081-P1088 HydrophobicContact CD2-CG 3.95Å; L1081-V1091 HydrophobicContact CD1-CG1 4.32Å; L1081-V1107 HydrophobicContact CD1-CB 3.94Å; L1081-V1107 HydrophobicContact CD1-CG1 3.62Å
1082	Y	73.3	Confident	79.3	Confident	46 Å²	46	29.9 Å²	29.9	18%	0.18	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	97.4	175.7	-170.5	-90.4	0	0	0	111.4	K322 L1075 P1077 S1079 A1080	K322-Y1082 HydrophobicContact CD-CD1 4.09Å; K322-Y1082 HydrophobicContact CD-CE1 3.85Å; K322-Y1082 WeakPolarHBondContact CE-O 3.41Å; K322-Y1082 HydrophobicContact CG-CE1 4.22Å; K322-Y1082 PolarHBondContact NZ-O 3.33Å; L1075-Y1082 HydrophobicContact CB-CD2 4.2Å; P1077-Y1082 HydrophobicContact CB-CD1 3.72Å; P1077-Y1082 HydrophobicContact CB-CE1 3.67Å; P1077-Y1082 HydrophobicContact CB-CE2 4.45Å; P1077-Y1082 HydrophobicContact CB-CG 4.17Å; S1079-Y1082 WeakPolarHBondContact O-CA 3.35Å; S1079-Y1082 WeakPolarHBondContact O-CB 3.49Å; S1079-Y1082 PolarHBondContact O-N 3.22Å; A1080-Y1082 PolarHBondContact O-N 3.35Å
1083	G	64	Low	79.5	Confident	18 Å²	18	26.8 Å²	26.8	19%	0.186	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	132.4	-18	174.2	0	0	0	0	0	114.5	L1081	L1081-G1083 PolarHBondContact O-N 2.98Å
1084	M	60.5	Low	79.6	Confident	55 Å²	55	28.4 Å²	28.4	27%	0.271	15%	0.152	S	C	.	.			trans	-81.4	147.1	-179.5	-62.3	-174.2	-60.7	0	0	111.2	P978 A1080 L1081 Y1086	P978-M1084 VanDerWaalsContact CA-CE 3.41Å; P978-M1084 HydrophobicContact CB-CE 3.74Å; P978-M1084 HydrophobicContact CB-SD 3.59Å; P978-M1084 VanDerWaalsContact CB-SD 3.59Å; P978-M1084 HydrophobicContact CG-SD 4.05Å; P978-M1084 WeakPolarHBondContact O-CE 3.44Å; A1080-M1084 WeakPolarHBondContact O-CE 3.4Å; L1081-M1084 HydrophobicContact CD2-CE 4.29Å; M1084-Y1086 PolarHBondContact O-N 3.12Å
1085	G	60.5	Low	79.4	Confident	55 Å²	55	30.2 Å²	30.2	57%	0.567	16%	0.16	S	C	*	.	S	Bend	trans	-66.7	-19.7	-172.7	0	0	0	0	0	114.4	K330	K330-G1085 WeakPolarHBondContact CE-O 3.32Å; K330-G1085 PolarHBondContact NZ-O 3.49Å
1086	Y	68	Low	79.2	Confident	176 Å²	176	30.9 Å²	30.9	69%	0.69	16%	0.163	S	C	*	.			trans	-99.8	128.5	174.5	176	-97.5	0	0	0	109.6	M1084 P1088	M1084-Y1086 PolarHBondContact O-N 3.12Å; Y1086-P1088 HydrophobicContact CE1-CB 4.11Å
1087	T	74.1	Confident	78.9	Confident	34 Å²	34	31 Å²	31	21%	0.209	17%	0.165	C	C	.	.			trans	-117.4	116.5	175.4	47.8	0	0	0	0	107.5	I1058	I1058-T1087 VanDerWaalsContact CD1-OG1 3.25Å; I1058-T1087 WeakPolarHBondContact CD1-OG1 3.32Å
1088	P	82.3	Confident	78.6	Confident	4 Å²	4	34.5 Å²	34.5	3%	0.026	18%	0.181	C	C	.	.			trans	-65.6	144.1	-177.5	28.3	-37	0	0	0	111.4	Y1064 L1081 Y1086 Y1090 V1091	Y1064-P1088 PolarHBondContact OH-O 2.67Å; L1081-P1088 HydrophobicContact CD2-CG 3.95Å; Y1086-P1088 HydrophobicContact CE1-CB 4.11Å; P1088-Y1090 VanDerWaalsContact C-N 3.32Å; P1088-Y1090 PolarHBondContact O-N 2.78Å; P1088-V1091 HydrophobicContact CB-CG1 4.39Å; P1088-V1091 HydrophobicContact CG-CG1 3.54Å
1089	D	85.6	Confident	78.2	Confident	50 Å²	50	35.3 Å²	35.3	27%	0.267	19%	0.186	S	C	.	.	S	Bend	trans	-66.9	-33.6	-177.7	-75.9	-16.4	0	0	0	111.6	R380 R1057 I1058	R380-D1089 IonicContact CZ-OD1 2.88Å; R380-D1089 IonicContact CZ-OD2 2.72Å; R380-D1089 IonicContact NE-OD1 3.87Å; R380-D1089 IonicContact NE-OD2 3.51Å; R380-D1089 PolarHBondContact NE-OD2 2.91Å; R380-D1089 IonicContact NH2-OD1 3.99Å; R380-D1089 PolarHBondContact NH2-OD1 3.14Å; R380-D1089 VanDerWaalsContact NH2-OD1 3.11Å; R380-D1089 IonicContact NH2-OD2 3.5Å; R380-D1089 PolarHBondContact NH2-OD2 3.12Å; R1057-D1089 WeakPolarHBondContact CA-O 3.49Å; I1058-D1089 HydrophobicContact CG2-CB 4.43Å; I1058-D1089 PolarHBondContact N-O 2.76Å
1090	Y	90.3	Very high	77.8	Confident	24 Å²	24	40.9 Å²	40.9	9%	0.094	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	141.4	175	-64.6	-76.7	0	0	0	112.3	V381 L383 R1057 L1067 P1088 V1110 L1115	V381-Y1090 VanDerWaalsContact O-CE2 3.3Å; V381-Y1090 WeakPolarHBondContact O-CE2 3.41Å; V381-Y1090 PolarHBondContact O-OH 2.89Å; L383-Y1090 HydrophobicContact CB-CE1 4.44Å; L383-Y1090 HydrophobicContact CD1-CD1 4.37Å; L383-Y1090 HydrophobicContact CD1-CE1 3.96Å; L383-Y1090 HydrophobicContact CG-CE1 4.34Å; L383-Y1090 HydrophobicContact CG-CE2 4.49Å; L383-Y1090 PolarHBondContact N-OH 2.89Å; L383-Y1090 VanDerWaalsContact N-OH 3.13Å; R1057-Y1090 HydrophobicContact CB-CD1 4.05Å; R1057-Y1090 HydrophobicContact CB-CE1 3.91Å; L1067-Y1090 HydrophobicContact CD1-CD1 4.06Å; L1067-Y1090 HydrophobicContact CD1-CE1 4.11Å; L1067-Y1090 HydrophobicContact CD2-CE1 4.2Å; P1088-Y1090 VanDerWaalsContact C-N 3.32Å; P1088-Y1090 PolarHBondContact O-N 2.78Å; Y1090-V1110 PolarHBondContact O-N 3.26Å; Y1090-L1115 HydrophobicContact CD1-CD1 4.23Å; Y1090-L1115 HydrophobicContact CG-CD1 4.28Å
1091	V	91.9	Very high	77.7	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	150.7	175.2	-63	0	0	0	0	111.4	A1055 A1056 Y1064 L1081 P1088 M1104 V1107 T1108	A1055-V1091 CarbonylContact C-O 3.57Å; A1055-V1091 VanDerWaalsContact CA-O 3.31Å; A1055-V1091 WeakPolarHBondContact CA-O 3.06Å; A1056-V1091 HydrophobicContact CB-CG2 4.05Å; A1056-V1091 PolarHBondContact N-O 2.9Å; A1056-V1091 PolarHBondContact O-N 3.06Å; Y1064-V1091 HydrophobicContact CD1-CG2 3.61Å; Y1064-V1091 HydrophobicContact CE1-CB 4.4Å; Y1064-V1091 HydrophobicContact CE1-CG1 3.86Å; Y1064-V1091 HydrophobicContact CE1-CG2 3.69Å; Y1064-V1091 HydrophobicContact CG-CG2 4.38Å; L1081-V1091 HydrophobicContact CD1-CG1 4.32Å; P1088-V1091 HydrophobicContact CB-CG1 4.39Å; P1088-V1091 HydrophobicContact CG-CG1 3.54Å; V1091-M1104 HydrophobicContact CG2-CE 4.22Å; V1091-V1107 HydrophobicContact CB-CG1 3.56Å; V1091-V1107 HydrophobicContact CG1-CG1 3.88Å; V1091-V1107 HydrophobicContact CG2-CG1 3.91Å; V1091-T1108 CarbonylContact C-O 3.6Å; V1091-T1108 VanDerWaalsContact CA-O 3.3Å; V1091-T1108 WeakPolarHBondContact CA-O 3.38Å
1092	I	93	Very high	77.9	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	147.7	161.1	59.1	179.4	0	0	0	109.2	L1047 F1051 A1055 V1107 T1108 V1110 L1115	L1047-I1092 HydrophobicContact CB-CD1 3.67Å; F1051-I1092 HydrophobicContact CB-CB 4.22Å; F1051-I1092 HydrophobicContact CB-CD1 4.33Å; A1055-I1092 HydrophobicContact CB-CG2 4.22Å; I1092-V1107 CarbonylContact O-C 3.6Å; I1092-V1107 WeakPolarHBondContact O-CA 3.28Å; I1092-V1107 WeakPolarHBondContact O-CG1 3.36Å; I1092-T1108 HydrophobicContact CD1-CG2 4.44Å; I1092-T1108 HydrophobicContact CG1-CG2 4.42Å; I1092-T1108 PolarHBondContact N-O 2.85Å; I1092-T1108 PolarHBondContact O-N 3.4Å; I1092-V1110 HydrophobicContact CD1-CG1 3.81Å; I1092-V1110 HydrophobicContact CG1-CG1 3.87Å; I1092-V1110 HydrophobicContact CG2-CG1 4.11Å; I1092-V1110 HydrophobicContact CG2-CG2 4.03Å; I1092-L1115 HydrophobicContact CG2-CD2 4.4Å
1093	Y	91.5	Very high	78.4	Confident	8 Å²	8	47 Å²	47	3%	0.031	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	156	174.8	61.3	-94.5	0	0	0	110.4	Q1054 A1056 N1066 E1095 L1096 M1104	Q1054-Y1093 HydrophobicContact CB-CD1 4.47Å; Q1054-Y1093 HydrophobicContact CB-CD2 4.12Å; Q1054-Y1093 HydrophobicContact CB-CE1 4.15Å; Q1054-Y1093 HydrophobicContact CB-CE2 3.77Å; Q1054-Y1093 HydrophobicContact CB-CG 4.45Å; Q1054-Y1093 WeakPolarHBondContact CB-O 3.28Å; Q1054-Y1093 HydrophobicContact CG-CD2 4.41Å; Q1054-Y1093 HydrophobicContact CG-CE2 3.78Å; Q1054-Y1093 WeakPolarHBondContact O-CD1 3.44Å; Q1054-Y1093 WeakPolarHBondContact O-CE1 3.25Å; Q1054-Y1093 PolarHBondContact O-N 3.04Å; Q1054-Y1093 PolarHBondContact OE1-O 3.32Å; A1056-Y1093 HydrophobicContact CB-CD1 4.48Å; A1056-Y1093 HydrophobicContact CB-CE1 4.33Å; N1066-Y1093 PolarHBondContact ND2-OH 3.44Å; Y1093-E1095 WeakPolarHBondContact CD2-O 3.29Å; Y1093-L1096 HydrophobicContact CD2-CB 4.45Å; Y1093-L1096 HydrophobicContact CE2-CB 3.83Å; Y1093-M1104 HydrophobicContact CD1-CB 4.29Å; Y1093-M1104 HydrophobicContact CD1-CG 3.8Å; Y1093-M1104 HydrophobicContact CD1-SD 3.41Å; Y1093-M1104 WeakPolarHBondContact CD1-SD 3.47Å; Y1093-M1104 HydrophobicContact CE1-CG 4.23Å; Y1093-M1104 HydrophobicContact CE1-SD 3.84Å; Y1093-M1104 HydrophobicContact CG-CB 4.01Å; Y1093-M1104 HydrophobicContact CG-CG 3.96Å; Y1093-M1104 HydrophobicContact CG-SD 4.12Å
1094	H	88	Confident	79.5	Confident	36 Å²	36	46.1 Å²	46.1	17%	0.167	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-44.1	178.2	-178.6	47.7	0	0	0	112.4	F1051 Q1054 Q1105 C1106	F1051-H1094 AromaticContact CE1-ND1 3.56Å; F1051-H1094 AromaticContact CZ-ND1 3.35Å; F1051-H1094 VanDerWaalsContact CZ-ND1 3.35Å; F1051-H1094 WeakPolarHBondContact CZ-ND1 3.48Å; Q1054-H1094 PolarHBondContact NE2-O 3.18Å; Q1054-H1094 PolarHBondContact OE1-O 2.81Å; H1094-Q1105 PolarHBondContact N-O 2.97Å; H1094-C1106 HydrophobicContact CB-CB 3.95Å; H1094-C1106 PolarHBondContact N-O 3.17Å
1095	E	82.3	Confident	80.6	Confident	70 Å²	70	44.1 Å²	44.1	33%	0.327	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	149.4	-176.1	-164.4	173.7	165.3	0	0	111.3	Y304 Y1093 I1097 Q1105	Y304-E1095 WeakPolarHBondContact CD2-OE2 3.4Å; Y304-E1095 WeakPolarHBondContact CE2-OE2 3.3Å; Y1093-E1095 WeakPolarHBondContact CD2-O 3.29Å; E1095-I1097 HydrophobicContact CG-CG1 4.07Å; E1095-Q1105 PolarHBondContact O-N 2.98Å
1096	L	82.8	Confident	81.9	Confident	19 Å²	19	42.3 Å²	42.3	10%	0.099	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	112.5	174.9	-176	68.6	0	0	0	108.4	M811 M1071 C1073 Y1093 E1102 M1104	M811-L1096 HydrophobicContact CG-CD2 3.95Å; M811-L1096 HydrophobicContact CG-CG 4.35Å; M811-L1096 HydrophobicContact SD-CD2 3.57Å; M811-L1096 VanDerWaalsContact SD-CD2 3.57Å; M811-L1096 HydrophobicContact SD-CG 3.86Å; M1071-L1096 HydrophobicContact SD-CD2 4.4Å; C1073-L1096 HydrophobicContact CB-CD1 3.96Å; Y1093-L1096 HydrophobicContact CD2-CB 4.45Å; Y1093-L1096 HydrophobicContact CE2-CB 3.83Å; L1096-E1102 HydrophobicContact CD1-CB 4.18Å; L1096-M1104 HydrophobicContact CD1-CG 3.8Å
1097	I	76.3	Confident	83	Confident	14 Å²	14	34 Å²	34	7%	0.072	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	133.9	-171.1	-61.5	154.4	0	0	0	108.9	Y304 E1095 T1099 E1102 Y1103 Q1105	Y304-I1097 VanDerWaalsContact CB-CD1 3.49Å; Y304-I1097 HydrophobicContact CD1-CD1 3.85Å; Y304-I1097 HydrophobicContact CD2-CD1 3.71Å; Y304-I1097 HydrophobicContact CD2-CG1 4.16Å; Y304-I1097 HydrophobicContact CE2-CD1 4.39Å; Y304-I1097 HydrophobicContact CG-CD1 3.4Å; Y304-I1097 HydrophobicContact CG-CG1 4.06Å; Y304-I1097 WeakPolarHBondContact O-CG2 3.35Å; E1095-I1097 HydrophobicContact CG-CG1 4.07Å; I1097-T1099 HydrophobicContact CG2-CG2 4.01Å; I1097-E1102 WeakPolarHBondContact O-CA 3.43Å; I1097-Y1103 PolarHBondContact N-O 2.84Å; I1097-Y1103 PolarHBondContact O-N 2.93Å; I1097-Q1105 HydrophobicContact CD1-CB 3.87Å; I1097-Q1105 HydrophobicContact CD1-CG 4.49Å
1098	M	71.2	Confident	83.9	Confident	83 Å²	83	32.3 Å²	32.3	41%	0.409	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	107.8	176.7	-171.1	173.7	-137.7	0	0	110.3	M811 E1102	M811-M1098 HydrophobicContact CE-CB 4.17Å; M811-M1098 HydrophobicContact CE-CE 4.21Å; M811-M1098 HydrophobicContact CE-CG 4.41Å; M811-M1098 HydrophobicContact CE-SD 3.81Å; M1098-E1102 HydrophobicContact CE-CG 4.43Å; M1098-E1102 WeakPolarHBondContact CE-OE1 3.43Å
1099	T	68.3	Low	84.3	Confident	40 Å²	40	32.8 Å²	32.8	25%	0.245	17%	0.166	C	C	.	.	S	Bend	trans	-108.1	-107.5	170.6	63.3	0	0	0	0	110.3	N306 I1097 K1101 Y1103	N306-T1099 HydrophobicContact CB-CG2 3.79Å; N306-T1099 WeakPolarHBondContact OD1-CB 3.46Å; N306-T1099 WeakPolarHBondContact OD1-CG2 3.25Å; I1097-T1099 HydrophobicContact CG2-CG2 4.01Å; T1099-K1101 PolarHBondContact N-O 3.42Å; T1099-Y1103 WeakPolarHBondContact OG1-CD2 3.41Å; T1099-Y1103 WeakPolarHBondContact OG1-CE2 3.38Å
1100	T	71.1	Confident	84.5	Confident	117 Å²	117	31 Å²	31	72%	0.718	16%	0.157	S	C	*	.	S	Bend	trans	-82.7	-22.5	164.7	54.6	0	0	0	0	112.1
1101	K	77.3	Confident	84.4	Confident	101 Å²	101	32.8 Å²	32.8	44%	0.439	17%	0.169	S	C	.	.	S	Bend	trans	-143	169.2	175.1	-60.1	-175.3	-179.1	-178.8	0	109.1	T1099 Y1103	T1099-K1101 PolarHBondContact N-O 3.42Å; K1101-Y1103 HydrophobicContact CB-CD2 4.38Å; K1101-Y1103 HydrophobicContact CB-CE2 3.87Å; K1101-Y1103 WeakPolarHBondContact O-CD2 3.5Å; K1101-Y1103 PolarHBondContact O-N 2.86Å
1102	E	82.9	Confident	84.1	Confident	37 Å²	37	32.8 Å²	32.8	17%	0.173	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	109.2	175.5	-56.5	86	170.1	0	0	110.5	M811 M1071 H1074 L1096 I1097 M1098	M811-E1102 HydrophobicContact CE-CG 4.36Å; M811-E1102 HydrophobicContact SD-CG 4.2Å; M1071-E1102 HydrophobicContact CE-CG 3.58Å; M1071-E1102 WeakPolarHBondContact CE-OE1 3.24Å; M1071-E1102 HydrophobicContact SD-CG 4.29Å; H1074-E1102 PolarHBondContact N-O 3.23Å; L1096-E1102 HydrophobicContact CD1-CB 4.18Å; I1097-E1102 WeakPolarHBondContact O-CA 3.43Å; M1098-E1102 HydrophobicContact CE-CG 4.43Å; M1098-E1102 WeakPolarHBondContact CE-OE1 3.43Å
1103	Y	84.3	Confident	83.8	Confident	46 Å²	46	36.2 Å²	36.2	18%	0.18	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	129.4	-178.4	-71.3	-78.5	0	0	0	111.9	H1074 H1076 I1097 T1099 K1101	H1074-Y1103 HydrophobicContact CB-CD1 3.84Å; H1074-Y1103 HydrophobicContact CB-CE1 3.93Å; H1074-Y1103 CarbonylContact O-C 3.52Å; H1074-Y1103 WeakPolarHBondContact O-CA 3.31Å; H1076-Y1103 AromaticContact CD2-CG 3.88Å; I1097-Y1103 PolarHBondContact N-O 2.84Å; I1097-Y1103 PolarHBondContact O-N 2.93Å; T1099-Y1103 WeakPolarHBondContact OG1-CD2 3.41Å; T1099-Y1103 WeakPolarHBondContact OG1-CE2 3.38Å; K1101-Y1103 HydrophobicContact CB-CD2 4.38Å; K1101-Y1103 HydrophobicContact CB-CE2 3.87Å; K1101-Y1103 WeakPolarHBondContact O-CD2 3.5Å; K1101-Y1103 PolarHBondContact O-N 2.86Å
1104	M	87.6	Confident	83.6	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	124	172.8	-61.2	-179	-55.8	0	0	109.8	A1056 Y1064 C1073 H1074 L1075 H1076 V1091 Y1093 L1096 V1107	A1056-M1104 HydrophobicContact CB-CE 4.47Å; A1056-M1104 HydrophobicContact CB-SD 3.73Å; Y1064-M1104 HydrophobicContact CD1-CE 4.38Å; Y1064-M1104 HydrophobicContact CD2-CE 3.93Å; Y1064-M1104 HydrophobicContact CG-CE 3.68Å; C1073-M1104 HydrophobicContact CB-CE 4.47Å; C1073-M1104 HydrophobicContact CB-CG 3.71Å; C1073-M1104 HydrophobicContact CB-SD 3.8Å; H1074-M1104 PolarHBondContact O-N 2.93Å; L1075-M1104 HydrophobicContact CD2-CE 3.83Å; L1075-M1104 HydrophobicContact CG-CE 4.27Å; H1076-M1104 WeakPolarHBondContact CB-O 3.4Å; H1076-M1104 PolarHBondContact N-O 3.47Å; V1091-M1104 HydrophobicContact CG2-CE 4.22Å; Y1093-M1104 HydrophobicContact CD1-CB 4.29Å; Y1093-M1104 HydrophobicContact CD1-CG 3.8Å; Y1093-M1104 HydrophobicContact CD1-SD 3.41Å; Y1093-M1104 WeakPolarHBondContact CD1-SD 3.47Å; Y1093-M1104 HydrophobicContact CE1-CG 4.23Å; Y1093-M1104 HydrophobicContact CE1-SD 3.84Å; Y1093-M1104 HydrophobicContact CG-CB 4.01Å; Y1093-M1104 HydrophobicContact CG-CG 3.96Å; Y1093-M1104 HydrophobicContact CG-SD 4.12Å; L1096-M1104 HydrophobicContact CD1-CG 3.8Å; M1104-V1107 HydrophobicContact CB-CG2 4.05Å
1105	Q	84.4	Confident	83.5	Confident	12 Å²	12	36.4 Å²	36.4	6%	0.056	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	148.8	177.9	-167.2	-177.7	-52.4	0	0	111.9	Y304 H1094 E1095 I1097	Y304-Q1105 VanDerWaalsContact CD1-OE1 3.32Å; Y304-Q1105 PolarHBondContact OH-NE2 2.82Å; H1094-Q1105 PolarHBondContact N-O 2.97Å; E1095-Q1105 PolarHBondContact O-N 2.98Å; I1097-Q1105 HydrophobicContact CD1-CB 3.87Å; I1097-Q1105 HydrophobicContact CD1-CG 4.49Å
1106	C	86.9	Confident	83.6	Confident	18 Å²	18	33.8 Å²	33.8	12%	0.122	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	54.2	79.7	-177.8	-65.5	0	0	0	0	110.9	L952 H982 H1094	L952-C1106 HydrophobicContact CD2-CB 4.26Å; H982-C1106 PolarHBondContact CE1-O 2.66Å; H1094-C1106 HydrophobicContact CB-CB 3.95Å; H1094-C1106 PolarHBondContact N-O 3.17Å
1107	V	91.3	Very high	83.7	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	141.7	-169.1	-171.4	0	0	0	0	110.7	D981 L1075 L1081 V1091 I1092 M1104	D981-V1107 WeakPolarHBondContact CB-O 3.24Å; D981-V1107 PolarHBondContact N-O 3.18Å; D981-V1107 PolarHBondContact OD2-N 3.15Å; L1075-V1107 HydrophobicContact CD2-CB 4.19Å; L1075-V1107 HydrophobicContact CD2-CG1 3.83Å; L1075-V1107 HydrophobicContact CD2-CG2 3.92Å; L1081-V1107 HydrophobicContact CD1-CB 3.94Å; L1081-V1107 HydrophobicContact CD1-CG1 3.62Å; V1091-V1107 HydrophobicContact CB-CG1 3.56Å; V1091-V1107 HydrophobicContact CG1-CG1 3.88Å; V1091-V1107 HydrophobicContact CG2-CG1 3.91Å; I1092-V1107 CarbonylContact O-C 3.6Å; I1092-V1107 WeakPolarHBondContact O-CA 3.28Å; I1092-V1107 WeakPolarHBondContact O-CG1 3.36Å; M1104-V1107 HydrophobicContact CB-CG2 4.05Å
1108	T	92.2	Very high	84	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	133.8	174.8	-65.8	0	0	0	0	109.6	S980 H982 R1044 V1091 I1092 V1110	S980-T1108 PolarHBondContact OG-OG1 2.84Å; H982-T1108 PolarHBondContact ND1-OG1 2.86Å; R1044-T1108 HydrophobicContact CB-CG2 4.44Å; R1044-T1108 HydrophobicContact CG-CG2 4.04Å; V1091-T1108 CarbonylContact C-O 3.6Å; V1091-T1108 VanDerWaalsContact CA-O 3.3Å; V1091-T1108 WeakPolarHBondContact CA-O 3.38Å; I1092-T1108 HydrophobicContact CD1-CG2 4.44Å; I1092-T1108 HydrophobicContact CG1-CG2 4.42Å; I1092-T1108 PolarHBondContact N-O 2.85Å; I1092-T1108 PolarHBondContact O-N 3.4Å; T1108-V1110 HydrophobicContact CG2-CG1 4.39Å
1109	S	91.2	Very high	84.2	Confident	13 Å²	13	37.6 Å²	37.6	9%	0.091	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	133.5	168.5	66	0	0	0	0	110.3	E979 R1044	E979-S1109 PolarHBondContact O-N 3.24Å; E979-S1109 PolarHBondContact O-OG 2.82Å; R1044-S1109 PolarHBondContact NH1-OG 2.83Å
1110	V	90	Very high	84.4	Confident	13 Å²	13	38.8 Å²	38.8	8%	0.079	20%	0.203	C	C	.	.			trans	-130.4	151.1	176.7	-67.9	0	0	0	0	110.5	C1048 Y1090 I1092 T1108 W1114 L1115	C1048-V1110 HydrophobicContact CB-CG1 4.09Å; Y1090-V1110 PolarHBondContact O-N 3.26Å; I1092-V1110 HydrophobicContact CD1-CG1 3.81Å; I1092-V1110 HydrophobicContact CG1-CG1 3.87Å; I1092-V1110 HydrophobicContact CG2-CG1 4.11Å; I1092-V1110 HydrophobicContact CG2-CG2 4.03Å; T1108-V1110 HydrophobicContact CG2-CG1 4.39Å; V1110-W1114 HydrophobicContact CB-CE3 4.28Å; V1110-L1115 HydrophobicContact CG2-CD1 3.89Å; V1110-L1115 HydrophobicContact CG2-CG 4.12Å
1111	D	88.3	Confident	84.3	Confident	62 Å²	62	36.4 Å²	36.4	33%	0.332	18%	0.184	S	C	.	.			trans	-75.1	147	168.9	-174.3	20.2	0	0	0	111	N1113 W1114 L1115	D1111-N1113 VanDerWaalsContact C-N 3.26Å; D1111-N1113 PolarHBondContact O-N 3.34Å; D1111-N1113 VanDerWaalsContact OD2-CB 3.3Å; D1111-N1113 WeakPolarHBondContact OD2-CB 3.37Å; D1111-N1113 PolarHBondContact OD2-ND2 2.75Å; D1111-W1114 HydrophobicContact CB-CD2 3.96Å; D1111-W1114 HydrophobicContact CB-CE3 4.29Å; D1111-W1114 HydrophobicContact CB-CG 4.17Å; D1111-W1114 PolarHBondContact O-N 2.95Å; D1111-L1115 PolarHBondContact O-N 3.5Å
1112	G	85	Confident	84.1	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60.9	-35.9	174.1	0	0	0	0	0	112	L383 W1114 L1115 A1116	L383-G1112 WeakPolarHBondContact CD2-O 3.36Å; G1112-W1114 VanDerWaalsContact C-N 3.31Å; G1112-W1114 PolarHBondContact O-N 2.83Å; G1112-L1115 PolarHBondContact O-N 3.47Å; G1112-A1116 PolarHBondContact O-N 3.27Å; G1112-A1116 VanDerWaalsContact O-N 3.11Å
1113	N	86.3	Confident	84	Confident	72 Å²	72	30.1 Å²	30.1	39%	0.385	16%	0.156	S	C	.	.	H	α-helix	trans	-62.5	-37.2	179	-60.8	-50.8	0	0	0	112.3	D1111 A1116 K1117	D1111-N1113 VanDerWaalsContact C-N 3.26Å; D1111-N1113 PolarHBondContact O-N 3.34Å; D1111-N1113 VanDerWaalsContact OD2-CB 3.3Å; D1111-N1113 WeakPolarHBondContact OD2-CB 3.37Å; D1111-N1113 PolarHBondContact OD2-ND2 2.75Å; N1113-A1116 PolarHBondContact O-N 3.14Å; N1113-K1117 VanDerWaalsContact O-CB 3.29Å; N1113-K1117 WeakPolarHBondContact O-CB 3.26Å; N1113-K1117 PolarHBondContact O-N 3.19Å
1114	W	88.2	Confident	83.6	Confident	47 Å²	47	28.9 Å²	28.9	18%	0.178	15%	0.154	C	C	.	.	H	α-helix	trans	-66.3	-40.8	177.2	-58.7	-15.5	0	0	0	111.8	D1041 R1044 V1110 D1111 G1112 A1116 K1117 V1118	D1041-W1114 HydrophobicContact CB-CH2 4.01Å; D1041-W1114 HydrophobicContact CB-CZ2 4.15Å; R1044-W1114 HydrophobicContact CB-CE3 4.48Å; R1044-W1114 HydrophobicContact CB-CH2 4.15Å; R1044-W1114 HydrophobicContact CB-CZ3 3.6Å; V1110-W1114 HydrophobicContact CB-CE3 4.28Å; D1111-W1114 HydrophobicContact CB-CD2 3.96Å; D1111-W1114 HydrophobicContact CB-CE3 4.29Å; D1111-W1114 HydrophobicContact CB-CG 4.17Å; D1111-W1114 PolarHBondContact O-N 2.95Å; G1112-W1114 VanDerWaalsContact C-N 3.31Å; G1112-W1114 PolarHBondContact O-N 2.83Å; W1114-A1116 VanDerWaalsContact C-N 3.33Å; W1114-A1116 PolarHBondContact O-N 3.38Å; W1114-K1117 PolarHBondContact O-N 2.75Å; W1114-V1118 WeakPolarHBondContact O-CG2 3.15Å; W1114-V1118 PolarHBondContact O-N 3.26Å
1115	L	85.9	Confident	82.9	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.1	-41	174.6	-74.1	168.1	0	0	0	111.8	L383 C1048 F1052 A1055 L1067 Y1090 I1092 V1110 D1111 G1112 G1119 Y1123	L383-L1115 HydrophobicContact CD1-CB 3.7Å; L383-L1115 HydrophobicContact CD1-CD1 3.74Å; L383-L1115 HydrophobicContact CD1-CG 4.38Å; C1048-L1115 VanDerWaalsContact SG-CD2 3.58Å; F1052-L1115 HydrophobicContact CB-CD2 3.93Å; A1055-L1115 HydrophobicContact CB-CD1 4.11Å; A1055-L1115 HydrophobicContact CB-CD2 3.71Å; L1067-L1115 HydrophobicContact CD1-CD1 4.38Å; Y1090-L1115 HydrophobicContact CD1-CD1 4.23Å; Y1090-L1115 HydrophobicContact CG-CD1 4.28Å; I1092-L1115 HydrophobicContact CG2-CD2 4.4Å; V1110-L1115 HydrophobicContact CG2-CD1 3.89Å; V1110-L1115 HydrophobicContact CG2-CG 4.12Å; D1111-L1115 PolarHBondContact O-N 3.5Å; G1112-L1115 PolarHBondContact O-N 3.47Å; L1115-G1119 WeakPolarHBondContact O-CA 3.33Å; L1115-G1119 PolarHBondContact O-N 3.49Å; L1115-Y1123 HydrophobicContact CB-CD2 4.11Å; L1115-Y1123 HydrophobicContact CB-CG 4.41Å; L1115-Y1123 HydrophobicContact CD2-CD2 4.48Å; L1115-Y1123 HydrophobicContact CD2-CE2 4.27Å; L1115-Y1123 WeakPolarHBondContact O-CD2 3.49Å
1116	A	84.3	Confident	82.1	Confident	15 Å²	15	35.7 Å²	35.7	12%	0.124	19%	0.187	C	C	.	.	H	α-helix	trans	-70.2	-41.1	175.2	0	0	0	0	0	113.2	L383 G1112 N1113 W1114 V1125	L383-A1116 HydrophobicContact CD2-CB 3.95Å; G1112-A1116 PolarHBondContact O-N 3.27Å; G1112-A1116 VanDerWaalsContact O-N 3.11Å; N1113-A1116 PolarHBondContact O-N 3.14Å; W1114-A1116 VanDerWaalsContact C-N 3.33Å; W1114-A1116 PolarHBondContact O-N 3.38Å; A1116-V1125 HydrophobicContact CB-CG2 3.54Å
1117	K	84.8	Confident	80.9	Confident	143 Å²	143	38.3 Å²	38.3	62%	0.622	20%	0.2	S	C	*	.	H	α-helix	trans	-62.2	-46.5	179.1	179.6	-175.1	172.5	-165.6	0	112	E1045 N1113 W1114	E1045-K1117 WeakPolarHBondContact OE1-CD 3.47Å; E1045-K1117 VanDerWaalsContact OE1-CE 3.32Å; E1045-K1117 WeakPolarHBondContact OE1-CE 3.49Å; E1045-K1117 IonicContact OE1-NZ 3.11Å; E1045-K1117 PolarHBondContact OE1-NZ 3.48Å; E1045-K1117 IonicContact OE2-NZ 3.96Å; N1113-K1117 VanDerWaalsContact O-CB 3.29Å; N1113-K1117 WeakPolarHBondContact O-CB 3.26Å; N1113-K1117 PolarHBondContact O-N 3.19Å; W1114-K1117 PolarHBondContact O-N 2.75Å
1118	V	82	Confident	79.4	Confident	50 Å²	50	44 Å²	44	30%	0.303	24%	0.237	S	C	.	.	H	α-helix	trans	-95.8	-21.1	-173.7	-161.4	0	0	0	0	113.4	E1045 A1049 W1114 P1120	E1045-V1118 HydrophobicContact CG-CG2 4.5Å; A1049-V1118 VanDerWaalsContact CA-CG1 3.48Å; A1049-V1118 HydrophobicContact CB-CB 4.46Å; A1049-V1118 HydrophobicContact CB-CG1 3.56Å; W1114-V1118 WeakPolarHBondContact O-CG2 3.15Å; W1114-V1118 PolarHBondContact O-N 3.26Å; V1118-P1120 WeakPolarHBondContact O-CD 3.45Å
1119	G	76	Confident	77.7	Confident	3 Å²	3	51.2 Å²	51.2	3%	0.031	28%	0.276	C	S	.	.			trans	-114.6	48.2	176.3	0	0	0	0	0	114.9	L1115 M1121 F1122 Y1123	L1115-G1119 WeakPolarHBondContact O-CA 3.33Å; L1115-G1119 PolarHBondContact O-N 3.49Å; G1119-M1121 PolarHBondContact O-N 3.21Å; G1119-M1121 VanDerWaalsContact O-N 3.07Å; G1119-F1122 PolarHBondContact O-N 2.92Å; G1119-Y1123 PolarHBondContact O-N 3.07Å
1120	P	72.1	Confident	76.3	Confident	65 Å²	65	52.5 Å²	52.5	42%	0.422	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-22.5	-172.3	26.5	-36.1	0	0	0	114	V1118 F1122	V1118-P1120 WeakPolarHBondContact O-CD 3.45Å; P1120-F1122 VanDerWaalsContact C-N 3.28Å; P1120-F1122 PolarHBondContact O-N 2.86Å
1121	M	70.1	Confident	74.9	Confident	67 Å²	67	55.9 Å²	55.9	33%	0.33	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-26.3	172.6	-64.9	-169.4	-75.9	0	0	113.3	I388 W902 G1119	I388-M1121 VanDerWaalsContact CD1-O 3.24Å; I388-M1121 WeakPolarHBondContact CD1-O 3.49Å; I388-M1121 WeakPolarHBondContact CG1-O 3.3Å; W902-M1121 HydrophobicContact CH2-CE 4.27Å; W902-M1121 HydrophobicContact CH2-SD 3.52Å; W902-M1121 VanDerWaalsContact CH2-SD 3.52Å; W902-M1121 HydrophobicContact CZ2-CE 4.33Å; W902-M1121 HydrophobicContact CZ2-SD 3.57Å; W902-M1121 VanDerWaalsContact CZ2-SD 3.57Å; W902-M1121 HydrophobicContact CZ3-SD 4.47Å; G1119-M1121 PolarHBondContact O-N 3.21Å; G1119-M1121 VanDerWaalsContact O-N 3.07Å
1122	F	73.5	Confident	73.6	Confident	4 Å²	4	62 Å²	62	2%	0.018	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115	-30.2	-174.3	-67.7	-71.8	0	0	0	113.6	V385 R386 Y899 W902 I903 F1052 G1119 P1120	V385-F1122 CarbonylContact C-O 3.57Å; V385-F1122 WeakPolarHBondContact CA-O 3.4Å; R386-F1122 PolarHBondContact N-O 3.11Å; R386-F1122 WeakPolarHBondContact O-CD1 3.36Å; Y899-F1122 WeakPolarHBondContact OH-CE1 3.37Å; W902-F1122 HydrophobicContact CZ3-CZ 4.01Å; I903-F1122 HydrophobicContact CD1-CE2 4.49Å; I903-F1122 HydrophobicContact CD1-CZ 4Å; I903-F1122 HydrophobicContact CG1-CE2 3.8Å; I903-F1122 HydrophobicContact CG1-CZ 3.61Å; I903-F1122 HydrophobicContact CG2-CE2 4.46Å; F1052-F1122 HydrophobicContact CD2-CD2 4.26Å; F1052-F1122 AromaticContact CE2-CD2 3.67Å; F1052-F1122 HydrophobicContact CE2-CD2 3.67Å; F1052-F1122 HydrophobicContact CE2-CE2 4.04Å; G1119-F1122 PolarHBondContact O-N 2.92Å; P1120-F1122 VanDerWaalsContact C-N 3.28Å; P1120-F1122 PolarHBondContact O-N 2.86Å
1123	Y	80.6	Confident	72.5	Confident	3 Å²	3	68.5 Å²	68.5	1%	0.012	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	126.8	-173	-56.5	-58.7	0	0	0	109.7	L383 V385 F1052 L1067 L1115 G1119	L383-Y1123 HydrophobicContact CD1-CD1 4.4Å; L383-Y1123 HydrophobicContact CD1-CG 4.48Å; V385-Y1123 HydrophobicContact CG1-CE1 4.31Å; V385-Y1123 HydrophobicContact CG2-CD1 4.24Å; V385-Y1123 HydrophobicContact CG2-CE1 4.04Å; F1052-Y1123 HydrophobicContact CB-CE2 4.15Å; F1052-Y1123 HydrophobicContact CD2-CE2 4.23Å; F1052-Y1123 WeakPolarHBondContact O-CE2 3.26Å; F1052-Y1123 PolarHBondContact O-OH 2.9Å; L1067-Y1123 HydrophobicContact CB-CE1 3.95Å; L1067-Y1123 HydrophobicContact CD1-CD1 4.43Å; L1067-Y1123 HydrophobicContact CD1-CE1 3.74Å; L1067-Y1123 HydrophobicContact CG-CE1 4.44Å; L1115-Y1123 HydrophobicContact CB-CD2 4.11Å; L1115-Y1123 HydrophobicContact CB-CG 4.41Å; L1115-Y1123 HydrophobicContact CD2-CD2 4.48Å; L1115-Y1123 HydrophobicContact CD2-CE2 4.27Å; L1115-Y1123 WeakPolarHBondContact O-CD2 3.49Å; G1119-Y1123 PolarHBondContact O-N 3.07Å
1124	S	74.4	Confident	71.6	Confident	19 Å²	19	69 Å²	69	13%	0.133	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	136.2	165.8	51.1	0	0	0	0	109.3	L384 R386	L384-S1124 PolarHBondContact N-O 2.89Å; L384-S1124 PolarHBondContact O-N 3.46Å; L384-S1124 VanDerWaalsContact O-N 3.1Å; R386-S1124 PolarHBondContact NE-OG 3.33Å; R386-S1124 VanDerWaalsContact NE-OG 3.08Å; R386-S1124 VanDerWaalsContact NH2-CB 3.34Å; R386-S1124 PolarHBondContact NH2-OG 2.94Å
1125	V	73.9	Confident	70.4	Confident	43 Å²	43	70.1 Å²	70.1	26%	0.261	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	137.5	171.8	-178.1	0	0	0	0	108.8	V381 L383 A1116 D1127	V381-V1125 HydrophobicContact CG1-CG1 4.14Å; V381-V1125 HydrophobicContact CG1-CG2 4.25Å; L383-V1125 HydrophobicContact CD2-CG2 4.38Å; A1116-V1125 HydrophobicContact CB-CG2 3.54Å; V1125-D1127 PolarHBondContact O-N 3.34Å
1126	K	66.8	Low	69.5	Low	112 Å²	112	75 Å²	75	49%	0.487	38%	0.38	S	S	.	.			trans	-79.8	76.8	173	-172.9	-171.1	173.1	-173.8	0	109.2	H382 L384 P1128	H382-K1126 HydrophobicContact CB-CB 4.12Å; H382-K1126 HydrophobicContact CB-CD 4.18Å; H382-K1126 WeakPolarHBondContact O-CB 3.4Å; H382-K1126 PolarHBondContact O-N 3.41Å; L384-K1126 HydrophobicContact CD1-CB 4.21Å; L384-K1126 HydrophobicContact CD1-CG 4.26Å; L384-K1126 HydrophobicContact CG-CB 4.09Å; L384-K1126 HydrophobicContact CG-CG 4.39Å; K1126-P1128 WeakPolarHBondContact O-CD 3.4Å
1127	D	63.2	Low	68.9	Low	73 Å²	73	81.5 Å²	81.5	39%	0.39	40%	0.401	S	S	.	.			trans	-60.3	123.9	172.7	-60.6	-33.3	0	0	0	109.4	V1125 N1129 L1130	V1125-D1127 PolarHBondContact O-N 3.34Å; D1127-N1129 PolarHBondContact O-N 3.26Å; D1127-L1130 HydrophobicContact CB-CB 4.31Å; D1127-L1130 HydrophobicContact CB-CD1 4.11Å; D1127-L1130 PolarHBondContact O-N 2.74Å; D1127-L1130 WeakPolarHBondContact OD2-CD1 3.4Å
1128	P	59.5	Low	68.1	Low	119 Å²	119	78.3 Å²	78.3	77%	0.773	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-24.6	-179.8	25.4	-33	0	0	0	112.1	K1126	K1126-P1128 WeakPolarHBondContact O-CD 3.4Å
1129	N	56.1	Low	67.4	Low	153 Å²	153	77.8 Å²	77.8	82%	0.818	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-12.6	-173.7	-61.6	-17.8	0	0	0	114.2	D1127	D1127-N1129 PolarHBondContact O-N 3.26Å
1130	L	61.1	Low	67.1	Low	40 Å²	40	82.3 Å²	82.3	21%	0.209	41%	0.41	C	S	.	.	S	Bend	trans	-91.3	120.2	-177.4	-94.1	164.4	0	0	0	112.5	D1127 E1134 R1135	D1127-L1130 HydrophobicContact CB-CB 4.31Å; D1127-L1130 HydrophobicContact CB-CD1 4.11Å; D1127-L1130 PolarHBondContact O-N 2.74Å; D1127-L1130 WeakPolarHBondContact OD2-CD1 3.4Å; L1130-E1134 HydrophobicContact CD2-CB 3.65Å; L1130-E1134 HydrophobicContact CD2-CG 4.49Å; L1130-R1135 HydrophobicContact CB-CG 4.2Å; L1130-R1135 PolarHBondContact O-NE 2.88Å; L1130-R1135 VanDerWaalsContact O-NE 3.07Å; L1130-R1135 PolarHBondContact O-NH2 3.33Å
1131	T	61.6	Low	67.2	Low	84 Å²	84	83.3 Å²	83.3	52%	0.515	41%	0.409	S	S	.	.			trans	-61.6	147.9	-179.6	-41.9	0	0	0	0	110.6	L1133 E1134 R1135	T1131-L1133 HydrophobicContact CG2-CB 4.43Å; T1131-L1133 PolarHBondContact O-N 2.55Å; T1131-E1134 WeakPolarHBondContact CA-OE2 3.32Å; T1131-E1134 WeakPolarHBondContact CB-OE2 3.41Å; T1131-E1134 PolarHBondContact N-OE2 2.72Å; T1131-E1134 PolarHBondContact O-N 3.45Å; T1131-E1134 PolarHBondContact OG1-OE2 3.22Å; T1131-R1135 PolarHBondContact O-N 3.19Å; T1131-R1135 VanDerWaalsContact O-N 3.13Å
1132	R	59.6	Low	67.1	Low	189 Å²	189	83.4 Å²	83.4	71%	0.713	41%	0.408	S	S	*	.	H	α-helix	trans	-53.1	-29.7	175.5	-174.1	177.4	179	165.2	4.2	112.9	K1136	R1132-K1136 PolarHBondContact O-N 2.84Å
1133	L	63.4	Low	67	Low	137 Å²	137	87 Å²	87	72%	0.717	43%	0.427	S	S	*	.	H	α-helix	trans	-70.5	-43.2	176.5	-161.4	78.4	0	0	0	112.4	T1131 K1136 R1137	T1131-L1133 HydrophobicContact CG2-CB 4.43Å; T1131-L1133 PolarHBondContact O-N 2.55Å; L1133-K1136 PolarHBondContact O-N 3.48Å; L1133-R1137 PolarHBondContact O-N 2.98Å
1134	E	66.2	Low	66.7	Low	82 Å²	82	90.2 Å²	90.2	38%	0.383	45%	0.447	S	S	.	.	H	α-helix	trans	-71.1	-41	-177.6	-67.8	159	138.4	0	0	111.3	L1130 T1131 K1136 R1137 Q1138	L1130-E1134 HydrophobicContact CD2-CB 3.65Å; L1130-E1134 HydrophobicContact CD2-CG 4.49Å; T1131-E1134 WeakPolarHBondContact CA-OE2 3.32Å; T1131-E1134 WeakPolarHBondContact CB-OE2 3.41Å; T1131-E1134 PolarHBondContact N-OE2 2.72Å; T1131-E1134 PolarHBondContact O-N 3.45Å; T1131-E1134 PolarHBondContact OG1-OE2 3.22Å; E1134-K1136 VanDerWaalsContact C-N 3.26Å; E1134-K1136 PolarHBondContact O-N 3.25Å; E1134-R1137 PolarHBondContact O-N 3.08Å; E1134-R1137 VanDerWaalsContact O-N 3.11Å; E1134-Q1138 WeakPolarHBondContact O-CG 3.2Å; E1134-Q1138 PolarHBondContact O-N 3.44Å
1135	R	64.2	Low	66.8	Low	71 Å²	71	95 Å²	95	27%	0.268	47%	0.468	S	S	.	.	H	α-helix	trans	-59	-35.9	170.8	-84.4	-179.3	-83.3	154	-11.2	112.9	L1130 T1131 A1139	L1130-R1135 HydrophobicContact CB-CG 4.2Å; L1130-R1135 PolarHBondContact O-NE 2.88Å; L1130-R1135 VanDerWaalsContact O-NE 3.07Å; L1130-R1135 PolarHBondContact O-NH2 3.33Å; T1131-R1135 PolarHBondContact O-N 3.19Å; T1131-R1135 VanDerWaalsContact O-N 3.13Å; R1135-A1139 PolarHBondContact O-N 2.79Å
1136	K	66.7	Low	66.4	Low	102 Å²	102	93.9 Å²	93.9	44%	0.443	46%	0.46	S	S	.	.	H	α-helix	trans	-70.7	-42.3	173.5	-171.6	172.9	-178.8	-77.4	0	111.3	R1132 L1133 E1134 A1139 E1140	R1132-K1136 PolarHBondContact O-N 2.84Å; L1133-K1136 PolarHBondContact O-N 3.48Å; E1134-K1136 VanDerWaalsContact C-N 3.26Å; E1134-K1136 PolarHBondContact O-N 3.25Å; K1136-A1139 PolarHBondContact O-N 2.83Å; K1136-E1140 IonicContact NZ-OE1 2.55Å; K1136-E1140 PolarHBondContact NZ-OE1 3.46Å; K1136-E1140 IonicContact NZ-OE2 3.53Å; K1136-E1140 WeakPolarHBondContact O-CG 3.44Å; K1136-E1140 PolarHBondContact O-N 3.43Å
1137	R	71.5	Confident	66.7	Low	152 Å²	152	93.2 Å²	93.2	57%	0.574	46%	0.458	S	S	*	.	H	α-helix	trans	-61	-45.6	178.5	-150.5	-170.2	94.4	-167.2	5.5	112	L1133 E1134 A1139 E1140 E1141	L1133-R1137 PolarHBondContact O-N 2.98Å; E1134-R1137 PolarHBondContact O-N 3.08Å; E1134-R1137 VanDerWaalsContact O-N 3.11Å; R1137-A1139 VanDerWaalsContact C-N 3.32Å; R1137-A1139 PolarHBondContact O-N 3.44Å; R1137-E1140 PolarHBondContact O-N 3.42Å; R1137-E1141 IonicContact CZ-OE1 3.39Å; R1137-E1141 IonicContact NE-OE1 2.72Å; R1137-E1141 PolarHBondContact NE-OE1 3.37Å; R1137-E1141 IonicContact NE-OE2 3.59Å; R1137-E1141 IonicContact NH2-OE1 2.74Å; R1137-E1141 PolarHBondContact NH2-OE1 3.44Å; R1137-E1141 IonicContact NH2-OE2 2.86Å; R1137-E1141 WeakPolarHBondContact O-CB 3.18Å; R1137-E1141 VanDerWaalsContact O-CG 3.29Å; R1137-E1141 WeakPolarHBondContact O-CG 3.43Å; R1137-E1141 PolarHBondContact O-N 3.33Å
1138	Q	68.9	Low	67.3	Low	77 Å²	77	92.8 Å²	92.8	36%	0.36	46%	0.456	S	S	.	.	H	α-helix	trans	-60.8	-39.1	175.4	-72.7	175.4	-12.2	0	0	112.7	E1134 Q1142	E1134-Q1138 WeakPolarHBondContact O-CG 3.2Å; E1134-Q1138 PolarHBondContact O-N 3.44Å; Q1138-Q1142 WeakPolarHBondContact O-CB 3.26Å; Q1138-Q1142 WeakPolarHBondContact O-CG 3.44Å; Q1138-Q1142 PolarHBondContact O-N 3.49Å
1139	A	66.5	Low	67.9	Low	39 Å²	39	91.8 Å²	91.8	32%	0.322	44%	0.441	S	S	.	.	H	α-helix	trans	-70.1	-35.6	176.9	0	0	0	0	0	112.4	R1135 K1136 R1137 L1143	R1135-A1139 PolarHBondContact O-N 2.79Å; K1136-A1139 PolarHBondContact O-N 2.83Å; R1137-A1139 VanDerWaalsContact C-N 3.32Å; R1137-A1139 PolarHBondContact O-N 3.44Å; A1139-L1143 WeakPolarHBondContact O-CB 3.26Å; A1139-L1143 PolarHBondContact O-N 3.49Å; A1139-L1143 VanDerWaalsContact O-N 3.15Å
1140	E	69.1	Low	68.4	Low	97 Å²	97	85.4 Å²	85.4	45%	0.453	41%	0.407	S	S	.	.	H	α-helix	trans	-69.7	-41.4	172.9	-72.3	175.8	155.4	0	0	111.7	K1136 R1137 L1143 V1144	K1136-E1140 IonicContact NZ-OE1 2.55Å; K1136-E1140 PolarHBondContact NZ-OE1 3.46Å; K1136-E1140 IonicContact NZ-OE2 3.53Å; K1136-E1140 WeakPolarHBondContact O-CG 3.44Å; K1136-E1140 PolarHBondContact O-N 3.43Å; R1137-E1140 PolarHBondContact O-N 3.42Å; E1140-L1143 PolarHBondContact O-N 3.31Å; E1140-V1144 WeakPolarHBondContact O-CB 3.49Å; E1140-V1144 VanDerWaalsContact O-CG2 3.3Å; E1140-V1144 WeakPolarHBondContact O-CG2 3.25Å; E1140-V1144 PolarHBondContact O-N 3.43Å
1141	E	73.8	Confident	69	Low	87 Å²	87	89.8 Å²	89.8	41%	0.407	42%	0.42	S	S	.	.	H	α-helix	trans	-59.7	-47	174.8	-76.5	167.9	171.6	0	0	111.7	R1137 L1143 V1144 E1145	R1137-E1141 IonicContact CZ-OE1 3.39Å; R1137-E1141 IonicContact NE-OE1 2.72Å; R1137-E1141 PolarHBondContact NE-OE1 3.37Å; R1137-E1141 IonicContact NE-OE2 3.59Å; R1137-E1141 IonicContact NH2-OE1 2.74Å; R1137-E1141 PolarHBondContact NH2-OE1 3.44Å; R1137-E1141 IonicContact NH2-OE2 2.86Å; R1137-E1141 WeakPolarHBondContact O-CB 3.18Å; R1137-E1141 VanDerWaalsContact O-CG 3.29Å; R1137-E1141 WeakPolarHBondContact O-CG 3.43Å; R1137-E1141 PolarHBondContact O-N 3.33Å; E1141-L1143 PolarHBondContact O-N 2.67Å; E1141-V1144 PolarHBondContact O-N 2.9Å; E1141-E1145 WeakPolarHBondContact O-CB 3.33Å; E1141-E1145 PolarHBondContact O-N 3.13Å
1142	Q	69.3	Low	69.7	Low	68 Å²	68	90 Å²	90	32%	0.318	42%	0.418	S	S	.	.	H	α-helix	trans	-64.4	-37.8	176.6	-74.9	175.8	-21.5	0	0	113	Q1138 E1145 M1146	Q1138-Q1142 WeakPolarHBondContact O-CB 3.26Å; Q1138-Q1142 WeakPolarHBondContact O-CG 3.44Å; Q1138-Q1142 PolarHBondContact O-N 3.49Å; Q1142-E1145 PolarHBondContact O-N 3.04Å; Q1142-M1146 WeakPolarHBondContact O-CG 3.24Å; Q1142-M1146 PolarHBondContact O-N 2.83Å
1143	L	70.2	Confident	70.1	Confident	79 Å²	79	82 Å²	82	41%	0.414	39%	0.392	S	S	.	.	H	α-helix	trans	-68.4	-40.7	177	-171.8	141.3	0	0	0	111.2	A1139 E1140 E1141 E1145 M1146 E1147	A1139-L1143 WeakPolarHBondContact O-CB 3.26Å; A1139-L1143 PolarHBondContact O-N 3.49Å; A1139-L1143 VanDerWaalsContact O-N 3.15Å; E1140-L1143 PolarHBondContact O-N 3.31Å; E1141-L1143 PolarHBondContact O-N 2.67Å; L1143-E1145 VanDerWaalsContact C-N 3.34Å; L1143-M1146 PolarHBondContact O-N 3.2Å; L1143-E1147 HydrophobicContact CD2-CG 4.36Å; L1143-E1147 WeakPolarHBondContact CD2-OE1 3.49Å; L1143-E1147 WeakPolarHBondContact O-CG 3.34Å; L1143-E1147 PolarHBondContact O-N 2.84Å
1144	V	74.7	Confident	70.4	Confident	71 Å²	71	79.3 Å²	79.3	43%	0.43	38%	0.376	S	S	.	.	H	α-helix	trans	-66.5	-34.1	173.1	169.2	0	0	0	0	111.8	E1140 E1141 E1147 N1148	E1140-V1144 WeakPolarHBondContact O-CB 3.49Å; E1140-V1144 VanDerWaalsContact O-CG2 3.3Å; E1140-V1144 WeakPolarHBondContact O-CG2 3.25Å; E1140-V1144 PolarHBondContact O-N 3.43Å; E1141-V1144 PolarHBondContact O-N 2.9Å; V1144-E1147 PolarHBondContact O-N 2.99Å; V1144-N1148 WeakPolarHBondContact CG1-ND2 3.47Å; V1144-N1148 WeakPolarHBondContact O-CB 3.34Å; V1144-N1148 PolarHBondContact O-N 3.11Å; V1144-N1148 PolarHBondContact O-ND2 3.04Å
1145	E	76.6	Confident	70.8	Confident	121 Å²	121	80.2 Å²	80.2	57%	0.565	38%	0.38	S	S	*	.	H	α-helix	trans	-62.8	-49.2	172.5	-173.5	167.5	-146.2	0	0	110.8	E1141 Q1142 L1143 E1147 N1148 E1149	E1141-E1145 WeakPolarHBondContact O-CB 3.33Å; E1141-E1145 PolarHBondContact O-N 3.13Å; Q1142-E1145 PolarHBondContact O-N 3.04Å; L1143-E1145 VanDerWaalsContact C-N 3.34Å; E1145-E1147 PolarHBondContact O-N 3.12Å; E1145-N1148 PolarHBondContact O-N 3.37Å; E1145-N1148 VanDerWaalsContact O-N 3.17Å; E1145-E1149 WeakPolarHBondContact O-CG 3.18Å; E1145-E1149 PolarHBondContact O-N 2.93Å
1146	M	66.4	Low	71.3	Confident	19 Å²	19	82.1 Å²	82.1	9%	0.094	39%	0.392	C	S	.	.	H	α-helix	trans	-60.9	-37.9	175.1	-70.1	174.4	57	0	0	113.3	I388 P391 W902 Q1142 L1143 M1150	I388-M1146 HydrophobicContact CG2-CE 4.19Å; I388-M1146 HydrophobicContact CG2-SD 4.29Å; P391-M1146 HydrophobicContact CG-CB 4.49Å; W902-M1146 HydrophobicContact CH2-CE 4.04Å; W902-M1146 HydrophobicContact CZ2-CE 3.57Å; Q1142-M1146 WeakPolarHBondContact O-CG 3.24Å; Q1142-M1146 PolarHBondContact O-N 2.83Å; L1143-M1146 PolarHBondContact O-N 3.2Å; M1146-M1150 WeakPolarHBondContact O-CB 3.48Å; M1146-M1150 PolarHBondContact O-N 3.01Å
1147	E	71.8	Confident	71.4	Confident	97 Å²	97	80.2 Å²	80.2	45%	0.453	39%	0.386	S	S	.	.	H	α-helix	trans	-67.9	-38.4	174.2	-75.9	-180	169.4	0	0	112.5	P391 L1143 V1144 E1145 M1150 R1151	P391-E1147 HydrophobicContact CG-CG 4.48Å; L1143-E1147 HydrophobicContact CD2-CG 4.36Å; L1143-E1147 WeakPolarHBondContact CD2-OE1 3.49Å; L1143-E1147 WeakPolarHBondContact O-CG 3.34Å; L1143-E1147 PolarHBondContact O-N 2.84Å; V1144-E1147 PolarHBondContact O-N 2.99Å; E1145-E1147 PolarHBondContact O-N 3.12Å; E1147-M1150 PolarHBondContact O-N 3.39Å; E1147-R1151 PolarHBondContact O-N 3.39Å
1148	N	75.7	Confident	71.4	Confident	64 Å²	64	75.8 Å²	75.8	34%	0.342	38%	0.378	S	S	.	.	H	α-helix	trans	-69.1	-41.7	175.5	-79	-59	0	0	0	111.8	V1144 E1145 M1150 R1151 L1152	V1144-N1148 WeakPolarHBondContact CG1-ND2 3.47Å; V1144-N1148 WeakPolarHBondContact O-CB 3.34Å; V1144-N1148 PolarHBondContact O-N 3.11Å; V1144-N1148 PolarHBondContact O-ND2 3.04Å; E1145-N1148 PolarHBondContact O-N 3.37Å; E1145-N1148 VanDerWaalsContact O-N 3.17Å; N1148-M1150 VanDerWaalsContact C-N 3.34Å; N1148-R1151 PolarHBondContact O-N 3.48Å; N1148-R1151 PolarHBondContact OD1-NH1 2.89Å; N1148-L1152 WeakPolarHBondContact O-CB 3.47Å; N1148-L1152 VanDerWaalsContact O-CG 3.3Å; N1148-L1152 WeakPolarHBondContact O-CG 3.34Å; N1148-L1152 PolarHBondContact O-N 3.41Å
1149	E	73.3	Confident	71.8	Confident	98 Å²	98	79.9 Å²	79.9	46%	0.458	39%	0.391	S	S	.	.	H	α-helix	trans	-58.3	-46.6	170.9	-74.9	-169.5	151.8	0	0	111.4	N909 E1145 R1151 L1152 A1153	N909-E1149 PolarHBondContact ND2-OE2 2.96Å; E1145-E1149 WeakPolarHBondContact O-CG 3.18Å; E1145-E1149 PolarHBondContact O-N 2.93Å; E1149-R1151 PolarHBondContact O-N 3.35Å; E1149-L1152 PolarHBondContact O-N 2.84Å; E1149-A1153 VanDerWaalsContact O-CB 3.27Å; E1149-A1153 WeakPolarHBondContact O-CB 3.39Å; E1149-A1153 PolarHBondContact O-N 3.25Å
1150	M	66.7	Low	72	Confident	20 Å²	20	85 Å²	85	10%	0.099	40%	0.402	C	S	.	.	H	α-helix	trans	-56.2	-48.7	174.5	168.1	170.3	-69.8	0	0	111.6	P391 F392 N909 M1146 E1147 N1148 L1152 A1153 E1154	P391-M1150 HydrophobicContact CB-CE 3.64Å; P391-M1150 HydrophobicContact CB-SD 3.88Å; P391-M1150 HydrophobicContact CG-CE 4.07Å; F392-M1150 HydrophobicContact CB-CE 4.03Å; N909-M1150 WeakPolarHBondContact O-CE 3.47Å; M1146-M1150 WeakPolarHBondContact O-CB 3.48Å; M1146-M1150 PolarHBondContact O-N 3.01Å; E1147-M1150 PolarHBondContact O-N 3.39Å; N1148-M1150 VanDerWaalsContact C-N 3.34Å; M1150-L1152 PolarHBondContact O-N 2.83Å; M1150-A1153 PolarHBondContact O-N 3.27Å; M1150-E1154 HydrophobicContact CG-CG 4.3Å; M1150-E1154 WeakPolarHBondContact O-CB 3.45Å; M1150-E1154 PolarHBondContact O-N 3.19Å
1151	R	73.1	Confident	72.1	Confident	132 Å²	132	89.3 Å²	89.3	50%	0.498	41%	0.414	S	S	.	.	H	α-helix	trans	-62.4	-44.8	-178.7	-160.9	-172.8	76.8	-132.2	-5.6	111.3	E1147 N1148 E1149 A1153 E1154 E1155	E1147-R1151 PolarHBondContact O-N 3.39Å; N1148-R1151 PolarHBondContact O-N 3.48Å; N1148-R1151 PolarHBondContact OD1-NH1 2.89Å; E1149-R1151 PolarHBondContact O-N 3.35Å; R1151-A1153 VanDerWaalsContact C-N 3.31Å; R1151-A1153 PolarHBondContact O-N 2.91Å; R1151-E1154 PolarHBondContact O-N 3.47Å; R1151-E1155 IonicContact NE-OE1 3.36Å; R1151-E1155 PolarHBondContact NE-OE1 3.3Å; R1151-E1155 VanDerWaalsContact NE-OE1 3.1Å; R1151-E1155 WeakPolarHBondContact O-CB 3.34Å; R1151-E1155 VanDerWaalsContact O-CG 3.27Å; R1151-E1155 WeakPolarHBondContact O-CG 3Å; R1151-E1155 PolarHBondContact O-N 3.45Å
1152	L	76.5	Confident	72.1	Confident	89 Å²	89	90.7 Å²	90.7	47%	0.466	42%	0.42	S	S	.	.	H	α-helix	trans	-61.8	-38	176	-71.1	169.9	0	0	0	112.2	N1148 E1149 M1150 Q1156	N1148-L1152 WeakPolarHBondContact O-CB 3.47Å; N1148-L1152 VanDerWaalsContact O-CG 3.3Å; N1148-L1152 WeakPolarHBondContact O-CG 3.34Å; N1148-L1152 PolarHBondContact O-N 3.41Å; E1149-L1152 PolarHBondContact O-N 2.84Å; M1150-L1152 PolarHBondContact O-N 2.83Å; L1152-Q1156 WeakPolarHBondContact O-CB 3.37Å; L1152-Q1156 VanDerWaalsContact O-CG 3.26Å; L1152-Q1156 WeakPolarHBondContact O-CG 3.26Å; L1152-Q1156 PolarHBondContact O-N 2.99Å
1153	A	68	Low	72.3	Confident	20 Å²	20	92.4 Å²	92.4	17%	0.165	43%	0.428	C	S	.	.	H	α-helix	trans	-75.4	-38.9	178.4	0	0	0	0	0	112.7	T910 E1149 M1150 R1151 Q1156 L1157	T910-A1153 HydrophobicContact CG2-CB 3.32Å; E1149-A1153 VanDerWaalsContact O-CB 3.27Å; E1149-A1153 WeakPolarHBondContact O-CB 3.39Å; E1149-A1153 PolarHBondContact O-N 3.25Å; M1150-A1153 PolarHBondContact O-N 3.27Å; R1151-A1153 VanDerWaalsContact C-N 3.31Å; R1151-A1153 PolarHBondContact O-N 2.91Å; A1153-Q1156 PolarHBondContact O-N 3.35Å; A1153-L1157 WeakPolarHBondContact O-CB 3.49Å; A1153-L1157 VanDerWaalsContact O-CG 3.27Å; A1153-L1157 WeakPolarHBondContact O-CG 3.4Å; A1153-L1157 PolarHBondContact O-N 2.89Å
1154	E	69.4	Low	72.2	Confident	81 Å²	81	93.8 Å²	93.8	38%	0.379	44%	0.435	S	S	.	.	H	α-helix	trans	-62.5	-42.8	170.7	-77.5	-164.8	149.8	0	0	111	R396 M1150 R1151 L1157 S1158	R396-E1154 IonicContact CZ-OE1 3.55Å; R396-E1154 IonicContact NH1-OE1 2.82Å; R396-E1154 IonicContact NH2-OE1 3.56Å; R396-E1154 PolarHBondContact NH2-OE1 2.96Å; R396-E1154 IonicContact NH2-OE2 3.99Å; M1150-E1154 HydrophobicContact CG-CG 4.3Å; M1150-E1154 WeakPolarHBondContact O-CB 3.45Å; M1150-E1154 PolarHBondContact O-N 3.19Å; R1151-E1154 PolarHBondContact O-N 3.47Å; E1154-L1157 PolarHBondContact O-N 3.29Å; E1154-S1158 PolarHBondContact O-N 3.42Å
1155	E	74.9	Confident	72	Confident	100 Å²	100	93.8 Å²	93.8	47%	0.467	44%	0.438	S	S	.	.	H	α-helix	trans	-59.3	-46.3	173.3	-76.2	172.5	-150.8	0	0	111.6	R1151 S1158 R1159	R1151-E1155 IonicContact NE-OE1 3.36Å; R1151-E1155 PolarHBondContact NE-OE1 3.3Å; R1151-E1155 VanDerWaalsContact NE-OE1 3.1Å; R1151-E1155 WeakPolarHBondContact O-CB 3.34Å; R1151-E1155 VanDerWaalsContact O-CG 3.27Å; R1151-E1155 WeakPolarHBondContact O-CG 3Å; R1151-E1155 PolarHBondContact O-N 3.45Å; E1155-S1158 PolarHBondContact O-N 3.35Å; E1155-R1159 WeakPolarHBondContact O-CB 3.46Å; E1155-R1159 PolarHBondContact O-N 3.32Å
1156	Q	74.9	Confident	71.8	Confident	111 Å²	111	91 Å²	91	52%	0.519	44%	0.436	S	S	.	.	H	α-helix	trans	-64	-39.1	176.1	-75.9	178.3	39.7	0	0	112.9	L1152 A1153 R1160	L1152-Q1156 WeakPolarHBondContact O-CB 3.37Å; L1152-Q1156 VanDerWaalsContact O-CG 3.26Å; L1152-Q1156 WeakPolarHBondContact O-CG 3.26Å; L1152-Q1156 PolarHBondContact O-N 2.99Å; A1153-Q1156 PolarHBondContact O-N 3.35Å; Q1156-R1160 WeakPolarHBondContact O-CG 3.34Å; Q1156-R1160 PolarHBondContact O-N 2.9Å
1157	L	68.1	Low	71.7	Confident	63 Å²	63	93.2 Å²	93.2	33%	0.33	45%	0.453	S	S	.	.	H	α-helix	trans	-67.7	-42.9	176.9	-76.5	165.8	0	0	0	111.7	T910 A1153 E1154 R1160 R1161	T910-L1157 HydrophobicContact CG2-CD1 4.1Å; A1153-L1157 WeakPolarHBondContact O-CB 3.49Å; A1153-L1157 VanDerWaalsContact O-CG 3.27Å; A1153-L1157 WeakPolarHBondContact O-CG 3.4Å; A1153-L1157 PolarHBondContact O-N 2.89Å; E1154-L1157 PolarHBondContact O-N 3.29Å; L1157-R1160 PolarHBondContact O-N 3.42Å; L1157-R1161 WeakPolarHBondContact O-CB 3.16Å; L1157-R1161 PolarHBondContact O-N 2.89Å
1158	S	72.6	Confident	71	Confident	58 Å²	58	92.9 Å²	92.9	41%	0.406	45%	0.454	S	S	.	.	H	α-helix	trans	-60.4	-48.5	174.5	-163.8	0	0	0	0	110.6	E1154 E1155 R1160 R1161 E1162	E1154-S1158 PolarHBondContact O-N 3.42Å; E1155-S1158 PolarHBondContact O-N 3.35Å; S1158-R1160 PolarHBondContact O-N 3.26Å; S1158-R1161 CarbonylContact O-C 3.51Å; S1158-R1161 WeakPolarHBondContact O-CA 3.47Å; S1158-R1161 WeakPolarHBondContact O-CB 3.4Å; S1158-R1161 PolarHBondContact O-N 3.14Å; S1158-E1162 WeakPolarHBondContact O-CG 3.4Å; S1158-E1162 PolarHBondContact O-N 2.94Å; S1158-E1162 PolarHBondContact OG-OE1 3.01Å
1159	R	76.5	Confident	69.9	Low	164 Å²	164	91.6 Å²	91.6	62%	0.619	46%	0.456	S	S	*	.	H	α-helix	trans	-58.9	-46.2	178.6	-177.3	176.1	174.9	160.4	4.2	112.8	E1155 R1161 E1162 E1163	E1155-R1159 WeakPolarHBondContact O-CB 3.46Å; E1155-R1159 PolarHBondContact O-N 3.32Å; R1159-R1161 VanDerWaalsContact C-N 3.28Å; R1159-R1161 PolarHBondContact O-N 3.3Å; R1159-E1162 PolarHBondContact O-N 3.46Å; R1159-E1163 WeakPolarHBondContact CG-OE1 3.45Å; R1159-E1163 IonicContact CZ-OE1 3.34Å; R1159-E1163 IonicContact NE-OE1 3.9Å; R1159-E1163 PolarHBondContact NE-OE1 3.42Å; R1159-E1163 IonicContact NH2-OE1 2.75Å; R1159-E1163 WeakPolarHBondContact O-CB 3.38Å; R1159-E1163 VanDerWaalsContact O-CG 3.32Å; R1159-E1163 WeakPolarHBondContact O-CG 3.41Å; R1159-E1163 PolarHBondContact O-N 3.44Å
1160	R	70.8	Confident	68.9	Low	147 Å²	147	90.6 Å²	90.6	56%	0.555	46%	0.46	S	S	*	.	H	α-helix	trans	-61.1	-36.8	174.3	-76.8	-174.5	-170.1	151.1	8.2	112.3	Q1156 L1157 S1158 L1164	Q1156-R1160 WeakPolarHBondContact O-CG 3.34Å; Q1156-R1160 PolarHBondContact O-N 2.9Å; L1157-R1160 PolarHBondContact O-N 3.42Å; S1158-R1160 PolarHBondContact O-N 3.26Å; R1160-L1164 VanDerWaalsContact O-CB 3.31Å; R1160-L1164 WeakPolarHBondContact O-CB 3.46Å; R1160-L1164 VanDerWaalsContact O-CG 3.29Å; R1160-L1164 WeakPolarHBondContact O-CG 3.41Å; R1160-L1164 PolarHBondContact O-N 2.98Å
1161	R	70	Confident	68.1	Low	187 Å²	187	93.2 Å²	93.2	71%	0.706	48%	0.48	S	S	*	.	H	α-helix	trans	-69.3	-39.2	178.2	-172.5	178.9	-177.8	173.3	1.7	111.8	L1157 S1158 R1159 S1165	L1157-R1161 WeakPolarHBondContact O-CB 3.16Å; L1157-R1161 PolarHBondContact O-N 2.89Å; S1158-R1161 CarbonylContact O-C 3.51Å; S1158-R1161 WeakPolarHBondContact O-CA 3.47Å; S1158-R1161 WeakPolarHBondContact O-CB 3.4Å; S1158-R1161 PolarHBondContact O-N 3.14Å; R1159-R1161 VanDerWaalsContact C-N 3.28Å; R1159-R1161 PolarHBondContact O-N 3.3Å; R1161-S1165 WeakPolarHBondContact O-CB 3.45Å; R1161-S1165 PolarHBondContact O-N 2.99Å; R1161-S1165 PolarHBondContact O-OG 3.32Å; R1161-S1165 VanDerWaalsContact O-OG 3.06Å
1162	E	74	Confident	66.8	Low	115 Å²	115	97 Å²	97	54%	0.537	49%	0.494	S	S	.	.	H	α-helix	trans	-62.7	-50	171.9	-73.3	165	-141.7	0	0	110.5	S1158 R1159 L1164 S1165 A1166	S1158-E1162 WeakPolarHBondContact O-CG 3.4Å; S1158-E1162 PolarHBondContact O-N 2.94Å; S1158-E1162 PolarHBondContact OG-OE1 3.01Å; R1159-E1162 PolarHBondContact O-N 3.46Å; E1162-L1164 PolarHBondContact O-N 3.44Å; E1162-S1165 WeakPolarHBondContact CA-OG 3.46Å; E1162-S1165 PolarHBondContact O-N 3.32Å; E1162-S1165 PolarHBondContact O-OG 3.14Å; E1162-A1166 WeakPolarHBondContact O-CB 3.4Å; E1162-A1166 PolarHBondContact O-N 3.44Å
1163	E	75	Confident	65.3	Low	104 Å²	104	99.8 Å²	99.8	49%	0.486	51%	0.509	S	S	.	.	H	α-helix	trans	-58.4	-44.6	176.6	-71.7	169.5	-175.1	0	0	112.1	R1159 A1166 S1167	R1159-E1163 WeakPolarHBondContact CG-OE1 3.45Å; R1159-E1163 IonicContact CZ-OE1 3.34Å; R1159-E1163 IonicContact NE-OE1 3.9Å; R1159-E1163 PolarHBondContact NE-OE1 3.42Å; R1159-E1163 IonicContact NH2-OE1 2.75Å; R1159-E1163 WeakPolarHBondContact O-CB 3.38Å; R1159-E1163 VanDerWaalsContact O-CG 3.32Å; R1159-E1163 WeakPolarHBondContact O-CG 3.41Å; R1159-E1163 PolarHBondContact O-N 3.44Å; E1163-A1166 PolarHBondContact O-N 3.47Å; E1163-S1167 WeakPolarHBondContact O-CB 3.48Å; E1163-S1167 PolarHBondContact O-N 3.21Å
1164	L	67.4	Low	64	Low	108 Å²	108	108.2 Å²	108.2	57%	0.565	54%	0.537	S	S	*	.	H	α-helix	trans	-62	-48.2	173.8	-79.6	165.4	0	0	0	112.2	R1160 E1162 A1166 S1167 I1168	R1160-L1164 VanDerWaalsContact O-CB 3.31Å; R1160-L1164 WeakPolarHBondContact O-CB 3.46Å; R1160-L1164 VanDerWaalsContact O-CG 3.29Å; R1160-L1164 WeakPolarHBondContact O-CG 3.41Å; R1160-L1164 PolarHBondContact O-N 2.98Å; E1162-L1164 PolarHBondContact O-N 3.44Å; L1164-A1166 PolarHBondContact O-N 3.35Å; L1164-S1167 PolarHBondContact O-N 3.25Å; L1164-S1167 PolarHBondContact O-OG 3.48Å; L1164-I1168 WeakPolarHBondContact O-CG1 3.45Å; L1164-I1168 PolarHBondContact O-N 3.36Å
1165	S	71.1	Confident	62.7	Low	71 Å²	71	109.8 Å²	109.8	50%	0.497	55%	0.553	S	S	.	*	H	α-helix	trans	-65.7	-36.5	179.2	64.4	0	0	0	0	112.7	R1161 E1162 I1168 G1169	R1161-S1165 WeakPolarHBondContact O-CB 3.45Å; R1161-S1165 PolarHBondContact O-N 2.99Å; R1161-S1165 PolarHBondContact O-OG 3.32Å; R1161-S1165 VanDerWaalsContact O-OG 3.06Å; E1162-S1165 WeakPolarHBondContact CA-OG 3.46Å; E1162-S1165 PolarHBondContact O-N 3.32Å; E1162-S1165 PolarHBondContact O-OG 3.14Å; S1165-I1168 PolarHBondContact O-N 3.46Å; S1165-G1169 PolarHBondContact O-N 3.45Å
1166	A	70.5	Confident	61.1	Low	63 Å²	63	112.5 Å²	112.5	52%	0.521	57%	0.57	S	S	.	*	H	α-helix	trans	-63.4	-39.9	171.6	0	0	0	0	0	112	E1162 E1163 L1164 G1169 S1170	E1162-A1166 WeakPolarHBondContact O-CB 3.4Å; E1162-A1166 PolarHBondContact O-N 3.44Å; E1163-A1166 PolarHBondContact O-N 3.47Å; L1164-A1166 PolarHBondContact O-N 3.35Å; A1166-G1169 PolarHBondContact O-N 2.94Å; A1166-S1170 WeakPolarHBondContact O-CB 3.32Å; A1166-S1170 PolarHBondContact O-N 3.29Å
1167	S	64.4	Low	59.5	Low	65 Å²	65	113.2 Å²	113.2	46%	0.455	58%	0.581	S	S	.	*	H	α-helix	trans	-64.8	-39.9	176	78.8	0	0	0	0	113	E1163 L1164 S1170 S1171	E1163-S1167 WeakPolarHBondContact O-CB 3.48Å; E1163-S1167 PolarHBondContact O-N 3.21Å; L1164-S1167 PolarHBondContact O-N 3.25Å; L1164-S1167 PolarHBondContact O-OG 3.48Å; S1167-S1170 PolarHBondContact O-N 2.97Å; S1167-S1171 PolarHBondContact O-N 3.49Å
1168	I	58.9	Low	58.4	Low	90 Å²	90	115.3 Å²	115.3	46%	0.462	60%	0.597	S	S	.	*	H	α-helix	trans	-70.8	-35.1	176.7	-65.5	165.7	0	0	0	110.6	L1164 S1165 S1171 R1172	L1164-I1168 WeakPolarHBondContact O-CG1 3.45Å; L1164-I1168 PolarHBondContact O-N 3.36Å; S1165-I1168 PolarHBondContact O-N 3.46Å; I1168-S1171 PolarHBondContact O-OG 2.89Å; I1168-S1171 VanDerWaalsContact O-OG 3.1Å; I1168-R1172 WeakPolarHBondContact O-CG 3.41Å; I1168-R1172 PolarHBondContact O-N 3.15Å
1169	G	52.1	Low	56.7	Low	38 Å²	38	118.7 Å²	118.7	39%	0.392	62%	0.618	S	S	.	*	H	α-helix	trans	-64	-39.2	170.3	0	0	0	0	0	112.8	S1165 A1166	S1165-G1169 PolarHBondContact O-N 3.45Å; A1166-G1169 PolarHBondContact O-N 2.94Å
1170	S	52.6	Low	55.3	Low	76 Å²	76	114.4 Å²	114.4	53%	0.531	62%	0.624	S	S	.	*	H	α-helix	trans	-71.5	-35.7	178.8	-168.9	0	0	0	0	113.3	A1166 S1167 L1173	A1166-S1170 WeakPolarHBondContact O-CB 3.32Å; A1166-S1170 PolarHBondContact O-N 3.29Å; S1167-S1170 PolarHBondContact O-N 2.97Å; S1170-L1173 PolarHBondContact O-N 3.06Å
1171	S	50.3	Low	53.7	Low	75 Å²	75	116.1 Å²	116.1	52%	0.524	64%	0.641	S	S	.	*	H	α-helix	trans	-71.2	-34	179.1	65.4	0	0	0	0	113	S1167 I1168 L1173 R1174	S1167-S1171 PolarHBondContact O-N 3.49Å; I1168-S1171 PolarHBondContact O-OG 2.89Å; I1168-S1171 VanDerWaalsContact O-OG 3.1Å; S1171-L1173 PolarHBondContact O-N 3.34Å; S1171-R1174 PolarHBondContact O-N 2.88Å
1172	R	45.6	Very low	52.4	Low	211 Å²	211	118.9 Å²	118.9	80%	0.796	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	-11.1	176.3	-74.7	-179.1	175	-177.4	-0.9	115	I1168	I1168-R1172 WeakPolarHBondContact O-CG 3.41Å; I1168-R1172 PolarHBondContact O-N 3.15Å
1173	L	43.9	Very low	51.2	Low	148 Å²	148	119.5 Å²	119.5	78%	0.775	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	5.4	177.8	-76.5	167.1	0	0	0	114.2	S1170 S1171 P1175	S1170-L1173 PolarHBondContact O-N 3.06Å; S1171-L1173 PolarHBondContact O-N 3.34Å; L1173-P1175 WeakPolarHBondContact O-CD 3.42Å
1174	R	41	Very low	49.6	Very low	198 Å²	198	121 Å²	121	75%	0.747	68%	0.681	S	S	*	*	S	Bend	trans	-100.6	109.2	172	-66.3	-172.8	178.1	-151.9	-4.1	109.9	S1171 I1176	S1171-R1174 PolarHBondContact O-N 2.88Å; R1174-I1176 PolarHBondContact O-N 3.34Å; R1174-I1176 VanDerWaalsContact O-N 3.16Å
1175	P	41.4	Very low	49.1	Very low	113 Å²	113	119.5 Å²	119.5	73%	0.734	69%	0.693	S	S	*	*			trans	-63.5	119.9	170.6	26.4	-32.1	0	0	0	108.7	L1173 V1177	L1173-P1175 WeakPolarHBondContact O-CD 3.42Å; P1175-V1177 PolarHBondContact O-N 2.93Å
1176	I	42.8	Very low	48.1	Very low	157 Å²	157	122.5 Å²	122.5	81%	0.805	71%	0.708	S	S	*	*			trans	-66.3	106.7	170.5	-64.6	170.4	0	0	0	106.6	R1174 T1178	R1174-I1176 PolarHBondContact O-N 3.34Å; R1174-I1176 VanDerWaalsContact O-N 3.16Å; I1176-T1178 PolarHBondContact O-N 2.62Å
1177	V	40.3	Very low	46.8	Very low	127 Å²	127	125 Å²	125	77%	0.77	72%	0.719	S	S	*	*			trans	-77.5	90.1	179	-179.2	0	0	0	0	108.5	P1175 P1179	P1175-V1177 PolarHBondContact O-N 2.93Å; V1177-P1179 WeakPolarHBondContact O-CD 3.42Å
1178	T	44.2	Very low	45.4	Very low	106 Å²	106	130.3 Å²	130.3	65%	0.65	74%	0.741	S	S	*	*			trans	-64.8	119.5	170.7	-42.3	0	0	0	0	109.2	I1176 G1180	I1176-T1178 PolarHBondContact O-N 2.62Å; T1178-G1180 PolarHBondContact O-N 3.47Å
1179	P	37.8	Very low	44.8	Very low	130 Å²	130	133 Å²	133	84%	0.844	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	97.5	-178.1	29.1	-33.5	0	0	0	110.3	V1177	V1177-P1179 WeakPolarHBondContact O-CD 3.42Å
1180	G	46.8	Very low	44.2	Very low	73 Å²	73	135.9 Å²	135.9	75%	0.753	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	165	-25.5	172.9	0	0	0	0	0	117.4	T1178	T1178-G1180 PolarHBondContact O-N 3.47Å
1181	M	38.2	Very low	43.7	Very low	183 Å²	183	141.2 Å²	141.2	90%	0.901	79%	0.789	S	S	*	*			trans	-108.9	124	-175.1	-68.6	-175.8	71.2	0	0	112.6
1182	R	41.4	Very low	43.4	Very low	246 Å²	246	148.5 Å²	148.5	93%	0.928	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-100.2	130	174	-64.5	-179.1	178.5	-175.4	-0.2	110
1183	T	49.5	Very low	43.3	Very low	127 Å²	127	144 Å²	144	78%	0.779	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-90.1	152.2	164.5	46.1	0	0	0	0	110.8
1184	P	40.8	Very low	43.3	Very low	135 Å²	135	140 Å²	140	88%	0.877	80%	0.798	S	S	*	*	S	Bend	trans	-84	135.4	-176.4	-0.8	19.8	0	0	0	111.2
1185	G	56.7	Low	43.3	Very low	78 Å²	78	136.5 Å²	136.5	80%	0.804	80%	0.804	S	S	*	*			trans	148.8	-11.7	165.6	0	0	0	0	0	118.4
1186	T	51	Low	43.5	Very low	133 Å²	133	141.8 Å²	141.8	82%	0.816	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-101.7	129.1	-174.7	-5.6	0	0	0	0	112.5
1187	P	42.1	Very low	43.5	Very low	117 Å²	117	142.3 Å²	142.3	76%	0.76	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-79.2	151	-172.8	31.1	-35.5	0	0	0	113.8
1188	L	36	Very low	43.7	Very low	176 Å²	176	139.5 Å²	139.5	92%	0.921	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-74.3	124.4	174.6	-80.6	153.1	0	0	0	111.6
1189	V	46.3	Very low	43.7	Very low	145 Å²	145	146.5 Å²	146.5	88%	0.879	84%	0.842	S	S	*	*			trans	-130	137.3	154.2	-176.1	0	0	0	0	108.6
1190	S	40.2	Very low	44	Very low	99 Å²	99	147.4 Å²	147.4	69%	0.692	84%	0.842	S	S	*	*			trans	-109	153.8	-163.7	64.3	0	0	0	0	113.3
1191	K	40.4	Very low	43.9	Very low	188 Å²	188	151.3 Å²	151.3	82%	0.817	85%	0.847	S	S	*	*			trans	36.8	126.3	140.1	-74.8	176.7	-177.8	175.2	0	116.5
1192	R	44.1	Very low	44.2	Very low	228 Å²	228	149.5 Å²	149.5	86%	0.86	84%	0.844	S	S	*	*				-175.8	-169.7	54.5	-126.8	-178.2	-176.6	-179	1.6	110.2
1193	P	44.8	Very low	44.3	Very low	117 Å²	117	143.8 Å²	143.8	76%	0.76	84%	0.839	S	S	*	*				-129.2	173.1	-129.3	40.8	-21.1	0	0	0	116.7
1194	G	42.7	Very low	44	Very low	65 Å²	65	144.9 Å²	144.9	67%	0.67	84%	0.843	S	S	*	*			trans	113.7	145.5	130.9	0	0	0	0	0	118.3
1195	S	42.3	Very low	44.2	Very low	124 Å²	124	145.5 Å²	145.5	87%	0.867	84%	0.84	S	S	*	*			trans	70.5	153.4	166.4	77.9	0	0	0	0	118.5
1196	R	44.6	Very low	43.3	Very low	223 Å²	223	150.4 Å²	150.4	84%	0.842	84%	0.843	S	S	*	*			cis	-172.8	143.4	-39.9	-152.9	-175.1	-176.5	175.4	-0.5	105.6
1197	L	43.9	Very low	42.8	Very low	168 Å²	168	151.7 Å²	151.7	88%	0.88	85%	0.845	S	S	*	*			trans	66.4	150.3	174.3	-52.2	147.3	0	0	0	113.6
1198	G	44.9	Very low	42.8	Very low	69 Å²	69	154.6 Å²	154.6	71%	0.711	85%	0.852	S	S	*	*			cis	153.6	115.2	-5.8	0	0	0	0	0	111.1
1199	L	43.7	Very low	43.4	Very low	253 Å²	253	152.6 Å²	152.6	100%	1.325	85%	0.846	S	S	*	*			trans	-155.9	0	160.4	-110.5	170.3	0	0	0	107.8

Retrieved 1,199 of 1,199 residues in 1088.5 ms (Link to these results)

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