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Endoplasmic reticulum chaperone BIP

Endoplasmic reticulum chaperone that plays a key role in protein folding and quality control in the endoplasmic reticulum lumen. Involved in the correct folding of proteins and degradation of misfolded proteins. Acts as a key repressor of the unfolded protein response (UPR).

AlphaFold DB (P29844), UniProt , Accession X2JEW5, Species DROME (Drosophila melanogaster, Fruit fly), Gene Hsc70-3, Length 656 aa.

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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	47.3	Very low	46	Very low	229 Å²	229	133.1 Å²	133.1	100%	1.128	74%	0.74	S	S	*	*				0	-0.3	0	-123.9	171.3	81.3	0	0	115.6
2	K	44	Very low	45.7	Very low	207 Å²	207	136.8 Å²	136.8	90%	0.9	74%	0.743	S	S	*	*			trans	-104.7	1.5	172.1	-74.9	-175.9	175	-178.7	0	114.5
3	L	44.3	Very low	45.8	Very low	147 Å²	147	133.4 Å²	133.4	77%	0.77	73%	0.729	S	S	*	*	S	Bend	trans	-93.7	-13.8	-174.1	-155	66.9	0	0	0	113.9
4	C	48.1	Very low	45.4	Very low	109 Å²	109	127.4 Å²	127.4	74%	0.736	71%	0.713	S	S	*	*	S	Bend	trans	-85.1	-8.8	-174.4	-63.8	0	0	0	0	114.9
5	I	49.9	Very low	45.1	Very low	133 Å²	133	127.1 Å²	127.1	68%	0.682	71%	0.708	S	S	*	*	S	Bend	trans	-95	-20.3	-173.3	-62.7	176.4	0	0	0	112.4
6	L	43.1	Very low	45.1	Very low	149 Å²	149	124.4 Å²	124.4	78%	0.78	70%	0.701	S	S	*	*	S	Bend	trans	-78.9	-23	-179.2	-139.5	80.5	0	0	0	113.6
7	L	43.9	Very low	45	Very low	142 Å²	142	124 Å²	124	74%	0.743	70%	0.696	S	S	*	*	H	α-helix	trans	-78.5	-18	179.3	-98.6	135.2	0	0	0	113.8
8	A	45.6	Very low	44.6	Very low	69 Å²	69	119.2 Å²	119.2	57%	0.57	68%	0.679	S	S	*	*	H	α-helix	trans	-84.1	-19.3	-178.2	0	0	0	0	0	113.8
9	V	47.4	Very low	44.3	Very low	103 Å²	103	120.8 Å²	120.8	62%	0.624	68%	0.68	S	S	*	*	H	α-helix	trans	-91	-24.6	-177	-177.1	0	0	0	0	112.3	A11	V9-A11 VanDerWaalsContact C-N 3.33Å
10	V	46.9	Very low	43.9	Very low	115 Å²	115	122.6 Å²	122.6	70%	0.697	68%	0.683	S	S	*	*	H	α-helix	trans	-75.7	-24.9	174.1	-178.3	0	0	0	0	111.6	F12	V10-F12 VanDerWaalsContact C-N 3.33Å; V10-F12 PolarHBondContact O-N 3.5Å
11	A	45.5	Very low	43.8	Very low	61 Å²	61	125.4 Å²	125.4	50%	0.504	69%	0.688	S	S	.	*	H	α-helix	trans	-73.6	-16.2	-179.3	0	0	0	0	0	114.7	V9 L15	V9-A11 VanDerWaalsContact C-N 3.33Å; A11-L15 WeakPolarHBondContact O-CD1 3.45Å
12	F	42.7	Very low	43.3	Very low	177 Å²	177	122.6 Å²	122.6	78%	0.776	67%	0.669	S	S	*	*	H	α-helix	trans	-106.1	-11.5	-176.3	-125.8	-93.5	0	0	0	114.8	V10	V10-F12 VanDerWaalsContact C-N 3.33Å; V10-F12 PolarHBondContact O-N 3.5Å
13	V	46.6	Very low	43	Very low	93 Å²	93	121 Å²	121	56%	0.564	67%	0.665	S	S	*	*	H	α-helix	trans	-99.6	-17.9	175.1	-176.5	0	0	0	0	111.7	L15	V13-L15 VanDerWaalsContact C-N 3.32Å; V13-L15 PolarHBondContact O-N 2.88Å
14	G	40.7	Very low	42.6	Very low	49 Å²	49	123.1 Å²	123.1	51%	0.505	67%	0.668	S	S	.	*	S	Bend	trans	-75.2	-14.6	173.2	0	0	0	0	0	115.1	G18	G14-G18 PolarHBondContact O-N 3.33Å
15	L	40.4	Very low	42.4	Very low	123 Å²	123	124.3 Å²	124.3	64%	0.644	67%	0.667	S	S	*	*	S	Bend	trans	-83.8	-21	-175.6	-84.6	157.5	0	0	0	114	A11 V13	A11-L15 WeakPolarHBondContact O-CD1 3.45Å; V13-L15 VanDerWaalsContact C-N 3.32Å; V13-L15 PolarHBondContact O-N 2.88Å
16	S	44.9	Very low	42.3	Very low	85 Å²	85	127.1 Å²	127.1	59%	0.594	67%	0.674	S	S	*	*	S	Bend	trans	-99	-11.6	177.7	67.3	0	0	0	0	114.4
17	L	43.2	Very low	43.1	Very low	117 Å²	117	129.1 Å²	129.1	61%	0.613	68%	0.68	S	S	*	*	S	Bend	trans	-99.4	-8.4	174.1	-74.5	161.1	0	0	0	112.6
18	G	39.4	Very low	44.4	Very low	38 Å²	38	125.6 Å²	125.6	39%	0.392	66%	0.661	S	S	.	*	S	Bend	trans	-84.2	-18.3	177.3	0	0	0	0	0	114.5	G14	G14-G18 PolarHBondContact O-N 3.33Å
19	E	37.5	Very low	46.2	Very low	149 Å²	149	123.8 Å²	123.8	70%	0.696	65%	0.649	S	S	*	*	S	Bend	trans	-85.5	-36.5	178.7	-78.5	-179.1	146	0	0	112.5	K21 K22	E19-K21 PolarHBondContact O-N 3.28Å; E19-K22 PolarHBondContact O-N 3.45Å
20	E	37.7	Very low	48.3	Very low	157 Å²	157	119.8 Å²	119.8	73%	0.734	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	-15.1	176.3	-79.7	-173.8	156.7	0	0	114
21	K	40.4	Very low	50.6	Low	182 Å²	182	114.4 Å²	114.4	79%	0.791	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-10.7	173.3	-106	-177.1	177.7	-176.8	0	114	E19	E19-K21 PolarHBondContact O-N 3.28Å
22	K	37.3	Very low	53.1	Low	169 Å²	169	111.5 Å²	111.5	74%	0.735	57%	0.569	S	S	*	*	S	Bend	trans	-90.4	-10.6	178	-85.8	-174.4	170.8	-175	0	114.4	E19	E19-K22 PolarHBondContact O-N 3.45Å
23	E	36.8	Very low	55.8	Low	175 Å²	175	103.1 Å²	103.1	82%	0.818	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	6.9	-179.6	-90.2	-174.5	154.3	0	0	114.9
24	K	37.1	Very low	58.3	Low	191 Å²	191	98.7 Å²	98.7	83%	0.83	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	2.6	175.1	-88.3	-171.9	178.3	179.5	0	115.8	K26	K24-K26 PolarHBondContact O-N 3.41Å
25	D	43.1	Very low	61	Low	134 Å²	134	97.2 Å²	97.2	72%	0.717	49%	0.486	S	S	*	.			trans	-76.7	79.9	161.1	-74	-22.6	0	0	0	107.8	E27	D25-E27 PolarHBondContact O-N 3.22Å
26	K	49.1	Very low	63.8	Low	191 Å²	191	91.6 Å²	91.6	83%	0.83	46%	0.456	S	S	*	.			trans	-51.3	114.6	150.3	-92.1	-176.3	174.5	-179.1	0	104.5	K24 L28	K24-K26 PolarHBondContact O-N 3.41Å; K26-L28 PolarHBondContact O-N 3.13Å
27	E	58.7	Low	66.3	Low	192 Å²	192	88.1 Å²	88.1	90%	0.897	43%	0.434	S	S	*	.			trans	-34.2	103.5	175.7	-111.9	-178.3	166.7	0	0	108	D25 G29	D25-E27 PolarHBondContact O-N 3.22Å; E27-G29 PolarHBondContact O-N 2.99Å
28	L	72.1	Confident	68.9	Low	67 Å²	67	82.8 Å²	82.8	35%	0.351	41%	0.406	S	S	.	.			trans	-67.6	96	-177.4	-145.5	129.7	0	0	0	102.7	K26 V31 M196	K26-L28 PolarHBondContact O-N 3.13Å; L28-V31 HydrophobicContact CD2-CG2 3.48Å; L28-V31 VanDerWaalsContact CD2-CG2 3.48Å; L28-M196 HydrophobicContact CD1-CE 4.04Å; L28-M196 HydrophobicContact CD2-CE 3.86Å; L28-M196 HydrophobicContact CD2-SD 4.42Å
29	G	83.2	Confident	71.6	Confident	31 Å²	31	81.5 Å²	81.5	32%	0.32	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-54.4	168.8	-174.4	0	0	0	0	0	110.3	E27 V31	E27-G29 PolarHBondContact O-N 2.99Å; G29-V31 PolarHBondContact O-N 3.31Å
30	T	91	Very high	74.5	Confident	20 Å²	20	77.1 Å²	77.1	12%	0.123	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-46.1	119	-175.9	-61	0	0	0	0	112.2	V45 L161 K163	T30-V45 HydrophobicContact CG2-CG2 3.36Å; T30-L161 HydrophobicContact CG2-CD1 3.78Å; T30-K163 VanDerWaalsContact OG1-CE 3.26Å; T30-K163 WeakPolarHBondContact OG1-CE 3.46Å; T30-K163 PolarHBondContact OG1-NZ 2.68Å
31	V	96.2	Very high	77.4	Confident	2 Å²	2	69.7 Å²	69.7	1%	0.012	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	128.2	176.1	-171.8	0	0	0	0	107.3	L28 G29 H167 V169 M196 A402	L28-V31 HydrophobicContact CD2-CG2 3.48Å; L28-V31 VanDerWaalsContact CD2-CG2 3.48Å; G29-V31 PolarHBondContact O-N 3.31Å; V31-H167 HydrophobicContact CB-CB 4.39Å; V31-H167 HydrophobicContact CG1-CB 4.18Å; V31-H167 HydrophobicContact CG2-CB 3.85Å; V31-V169 HydrophobicContact CG1-CG2 4.33Å; V31-M196 HydrophobicContact CG1-CG 4.41Å; V31-A402 HydrophobicContact CB-CB 3.94Å; V31-A402 HydrophobicContact CG1-CB 3.65Å; V31-A402 WeakPolarHBondContact O-CB 3.36Å
32	I	98.1	Very high	80.2	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	151.3	178.7	59.9	172.2	0	0	0	111	I34 V43 A157 L161 V165 H167 A168 V169	I32-I34 HydrophobicContact CD1-CD1 3.73Å; I32-I34 HydrophobicContact CD1-CG1 3.91Å; I32-I34 HydrophobicContact CG1-CD1 4.25Å; I32-I34 HydrophobicContact CG1-CG1 4.16Å; I32-V43 HydrophobicContact CB-CG2 4.24Å; I32-V43 HydrophobicContact CD1-CG2 3.99Å; I32-A157 HydrophobicContact CD1-CB 3.99Å; I32-A157 HydrophobicContact CG2-CB 3.91Å; I32-L161 HydrophobicContact CG2-CD1 4.43Å; I32-V165 HydrophobicContact CB-CG1 4.5Å; I32-V165 HydrophobicContact CD1-CG1 3.79Å; I32-V165 HydrophobicContact CG1-CG1 3.83Å; I32-V165 HydrophobicContact CG2-CG1 3.95Å; I32-V165 HydrophobicContact CG2-CG2 4.36Å; I32-H167 PolarHBondContact N-O 3.33Å; I32-A168 HydrophobicContact CG1-CB 3.89Å; I32-A168 CarbonylContact O-C 3.57Å; I32-A168 VanDerWaalsContact O-CA 3.23Å; I32-A168 WeakPolarHBondContact O-CA 3.46Å; I32-V169 PolarHBondContact O-N 3.43Å
33	G	98.5	Very high	83.1	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	123.9	169.3	0	0	0	0	0	110.2	V43 G44	G33-V43 WeakPolarHBondContact O-CA 3.41Å; G33-G44 PolarHBondContact N-O 3.09Å; G33-G44 PolarHBondContact O-N 3.3Å
34	I	98.8	Very high	86	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	120.5	179.2	-55.1	170.1	0	0	0	109.3	I32 C42 V43 L150 M153 A168 V169 V170 T171 L193	I32-I34 HydrophobicContact CD1-CD1 3.73Å; I32-I34 HydrophobicContact CD1-CG1 3.91Å; I32-I34 HydrophobicContact CG1-CD1 4.25Å; I32-I34 HydrophobicContact CG1-CG1 4.16Å; I34-C42 WeakPolarHBondContact CA-O 3.39Å; I34-V43 HydrophobicContact CG1-CB 4.44Å; I34-V43 HydrophobicContact CG1-CG2 3.98Å; I34-L150 HydrophobicContact CB-CD2 4.39Å; I34-L150 HydrophobicContact CD1-CD2 4.07Å; I34-L150 HydrophobicContact CG2-CD2 3.76Å; I34-M153 HydrophobicContact CD1-CB 4.12Å; I34-M153 HydrophobicContact CG1-CB 4.33Å; I34-M153 HydrophobicContact CG2-CB 4.03Å; I34-M153 HydrophobicContact CG2-CG 3.91Å; I34-A168 HydrophobicContact CD1-CB 4.17Å; I34-V169 PolarHBondContact N-O 2.97Å; I34-V170 WeakPolarHBondContact O-CA 3.45Å; I34-T171 WeakPolarHBondContact O-CG2 3.36Å; I34-T171 PolarHBondContact O-N 3.39Å; I34-L193 HydrophobicContact CD1-CD1 3.81Å
35	D	98.6	Very high	88.9	Confident	19 Å²	19	35.7 Å²	35.7	10%	0.102	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	107.7	159.9	-178.9	20	0	0	0	110	G37 S41 C42 T171 V394 A395	D35-G37 PolarHBondContact O-N 3.37Å; D35-S41 CarbonylContact O-C 3.51Å; D35-S41 WeakPolarHBondContact O-CA 3.47Å; D35-S41 WeakPolarHBondContact O-CB 3.19Å; D35-C42 HydrophobicContact CB-CB 4.21Å; D35-C42 PolarHBondContact N-O 3.32Å; D35-C42 PolarHBondContact O-N 3.48Å; D35-T171 VanDerWaalsContact CA-OG1 3.26Å; D35-T171 WeakPolarHBondContact CA-OG1 3.46Å; D35-T171 HydrophobicContact CB-CG2 4.4Å; D35-T171 PolarHBondContact OD1-OG1 2.96Å; D35-V394 HydrophobicContact CB-CB 4.24Å; D35-V394 HydrophobicContact CB-CG1 3.86Å; D35-V394 VanDerWaalsContact CG-CG1 3.48Å; D35-A395 HydrophobicContact CB-CB 3.82Å
36	L	98.4	Very high	91.3	Very high	4 Å²	4	29.9 Å²	29.9	2%	0.021	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	79.5	175.4	179.1	65.2	0	0	0	109	K97 V149 L150 V170 T171 T184	L36-K97 VanDerWaalsContact O-CD 3.24Å; L36-K97 WeakPolarHBondContact O-CD 3.45Å; L36-K97 WeakPolarHBondContact O-CE 3.42Å; L36-K97 PolarHBondContact O-NZ 3.43Å; L36-V149 HydrophobicContact CD1-CB 4.15Å; L36-V149 HydrophobicContact CD1-CG1 3.84Å; L36-L150 HydrophobicContact CB-CD2 4.18Å; L36-L150 HydrophobicContact CD1-CD2 4.09Å; L36-L150 HydrophobicContact CD1-CG 4.21Å; L36-L150 HydrophobicContact CD2-CD1 4.25Å; L36-L150 HydrophobicContact CD2-CD2 4.18Å; L36-L150 HydrophobicContact CD2-CG 4.19Å; L36-L150 HydrophobicContact CG-CD2 4.37Å; L36-V170 HydrophobicContact CB-CG1 4.19Å; L36-T171 PolarHBondContact N-OG1 3.16Å; L36-T184 HydrophobicContact CD2-CG2 4.05Å
37	G	97.2	Very high	93.2	Very high	12 Å²	12	25 Å²	25	12%	0.124	13%	0.13	C	C	.	.			trans	-80.9	165.3	-178.2	0	0	0	0	0	114.2	D35 Y40 S65	D35-G37 PolarHBondContact O-N 3.37Å; G37-Y40 CarbonylContact C-O 3.58Å; G37-Y40 WeakPolarHBondContact CA-O 3.25Å; G37-Y40 PolarHBondContact N-O 2.69Å; G37-S65 WeakPolarHBondContact O-CB 3.39Å; G37-S65 PolarHBondContact O-OG 3.28Å
38	T	97.2	Very high	94.5	Very high	6 Å²	6	21.8 Å²	21.8	4%	0.037	12%	0.119	C	C	.	.	S	Bend	trans	-62.3	-45.5	178.3	-50.8	0	0	0	0	112.2	S65 D95 K97 R98	T38-S65 WeakPolarHBondContact O-CB 3.46Å; T38-D95 HydrophobicContact CG2-CB 4.28Å; T38-K97 HydrophobicContact CG2-CB 4.43Å; T38-R98 HydrophobicContact CG2-CG 4.22Å
39	T	97.1	Very high	95.2	Very high	10 Å²	10	20.6 Å²	20.6	6%	0.061	12%	0.123	C	C	.	.	S	Bend	trans	-106.2	-34.4	-174.2	-44.4	0	0	0	0	112.4	P64 S65 G227	T39-P64 CarbonylContact O-C 3.57Å; T39-P64 WeakPolarHBondContact O-CA 3.42Å; T39-S65 PolarHBondContact O-N 3.2Å; T39-G227 WeakPolarHBondContact OG1-CA 3.39Å
40	Y	98.2	Very high	95.6	Very high	57 Å²	57	25.8 Å²	25.8	22%	0.224	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	143.8	179.6	-70.3	-90.1	0	0	0	109.3	G37 I62 T63 P64 K82	G37-Y40 CarbonylContact C-O 3.58Å; G37-Y40 WeakPolarHBondContact CA-O 3.25Å; G37-Y40 PolarHBondContact N-O 2.69Å; Y40-I62 HydrophobicContact CD1-CB 4.23Å; Y40-I62 HydrophobicContact CD1-CD1 3.73Å; Y40-I62 HydrophobicContact CD1-CG1 3.8Å; Y40-I62 HydrophobicContact CE1-CD1 4.17Å; Y40-I62 HydrophobicContact CE1-CG1 4.34Å; Y40-I62 HydrophobicContact CG-CD1 3.96Å; Y40-I62 HydrophobicContact CG-CG1 4.39Å; Y40-T63 CarbonylContact C-O 3.55Å; Y40-T63 VanDerWaalsContact CA-O 3.31Å; Y40-T63 WeakPolarHBondContact CA-O 3.23Å; Y40-P64 HydrophobicContact CD1-CB 4.45Å; Y40-P64 HydrophobicContact CD1-CG 4.19Å; Y40-P64 HydrophobicContact CE1-CB 4.28Å; Y40-P64 HydrophobicContact CE1-CG 3.74Å; Y40-K82 PolarHBondContact OH-NZ 3.05Å
41	S	98.7	Very high	95.8	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.007	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	153.1	170.7	-59.7	0	0	0	0	110	D35 I62 T63 S65 V149	D35-S41 CarbonylContact O-C 3.51Å; D35-S41 WeakPolarHBondContact O-CA 3.47Å; D35-S41 WeakPolarHBondContact O-CB 3.19Å; S41-I62 CarbonylContact O-C 3.57Å; S41-I62 WeakPolarHBondContact O-CA 3.14Å; S41-T63 PolarHBondContact N-O 3.05Å; S41-T63 PolarHBondContact O-N 3.04Å; S41-S65 PolarHBondContact N-OG 3.49Å; S41-S65 PolarHBondContact OG-OG 3.15Å; S41-V149 VanDerWaalsContact OG-CG1 3.32Å; S41-V149 WeakPolarHBondContact OG-CG1 3.15Å
42	C	98.6	Very high	95.8	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.014	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	142.8	-176.2	-176.6	0	0	0	0	109.3	I34 D35 R61 I62 A395	I34-C42 WeakPolarHBondContact CA-O 3.39Å; D35-C42 HydrophobicContact CB-CB 4.21Å; D35-C42 PolarHBondContact N-O 3.32Å; D35-C42 PolarHBondContact O-N 3.48Å; C42-R61 PolarHBondContact SG-O 3.09Å; C42-R61 VanDerWaalsContact SG-O 3.34Å; C42-I62 HydrophobicContact CB-CG2 4.07Å; C42-A395 HydrophobicContact CB-CB 3.69Å; C42-A395 WeakPolarHBondContact SG-CB 3.25Å
43	V	98.7	Very high	95.8	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.012	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	135.7	-178.9	60.3	0	0	0	0	110.6	I32 G33 I34 I54 M153 T156 A157	I32-V43 HydrophobicContact CB-CG2 4.24Å; I32-V43 HydrophobicContact CD1-CG2 3.99Å; G33-V43 WeakPolarHBondContact O-CA 3.41Å; I34-V43 HydrophobicContact CG1-CB 4.44Å; I34-V43 HydrophobicContact CG1-CG2 3.98Å; V43-I54 HydrophobicContact CG1-CB 4.22Å; V43-I54 PolarHBondContact O-N 2.85Å; V43-M153 HydrophobicContact CB-CB 4.21Å; V43-M153 HydrophobicContact CG1-CB 4.47Å; V43-M153 HydrophobicContact CG1-SD 4.35Å; V43-T156 HydrophobicContact CG1-CG2 4Å; V43-A157 HydrophobicContact CG2-CB 4.16Å
44	G	98.2	Very high	95.8	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	161.1	177.3	0	0	0	0	0	112.4	G33 E52	G33-G44 PolarHBondContact N-O 3.09Å; G33-G44 PolarHBondContact O-N 3.3Å; G44-E52 CarbonylContact C-O 3.57Å; G44-E52 WeakPolarHBondContact CA-O 3.32Å
45	V	97	Very high	95.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	139.2	174.3	64	0	0	0	0	109.6	T30 V51 E52 I54 Y160	T30-V45 HydrophobicContact CG2-CG2 3.36Å; V45-V51 WeakPolarHBondContact O-CA 3.32Å; V45-E52 HydrophobicContact CG1-CB 4.06Å; V45-E52 PolarHBondContact N-O 2.84Å; V45-E52 PolarHBondContact O-N 3.22Å; V45-I54 HydrophobicContact CB-CD1 4.33Å; V45-I54 HydrophobicContact CG1-CD1 3.96Å; V45-I54 HydrophobicContact CG1-CG1 4.33Å; V45-Y160 HydrophobicContact CG1-CE1 4.18Å
46	Y	94.3	Very high	95.7	Very high	12 Å²	12	30.8 Å²	30.8	5%	0.047	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	118.5	168.4	-167.4	-85.6	0	0	0	108.7	G49 V51 A399 V400 E408 T411	Y46-G49 WeakPolarHBondContact OH-CA 3.24Å; Y46-G49 PolarHBondContact OH-O 3.42Å; Y46-V51 HydrophobicContact CD2-CG2 3.76Å; Y46-V51 HydrophobicContact CE2-CG2 4.45Å; Y46-A399 WeakPolarHBondContact CB-O 3.3Å; Y46-V400 HydrophobicContact CD2-CG2 4.28Å; Y46-E408 HydrophobicContact CD1-CB 3.85Å; Y46-E408 HydrophobicContact CD1-CG 4.35Å; Y46-E408 HydrophobicContact CE1-CB 4.22Å; Y46-T411 HydrophobicContact CD1-CG2 3.97Å; Y46-T411 HydrophobicContact CE1-CG2 3.52Å; Y46-T411 HydrophobicContact CE2-CG2 4.2Å; Y46-T411 HydrophobicContact CG-CG2 4.47Å
47	K	88.7	Confident	95.4	Very high	89 Å²	89	35.8 Å²	35.8	39%	0.387	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	139.4	-178.8	-171.2	-179.3	177.7	-173.4	0	109.7	G49 R50	K47-G49 VanDerWaalsContact C-N 3.3Å; K47-G49 PolarHBondContact O-N 3.3Å; K47-R50 PolarHBondContact N-O 2.9Å; K47-R50 PolarHBondContact O-N 3.24Å
48	N	86.7	Confident	95.2	Very high	124 Å²	124	41.1 Å²	41.1	66%	0.663	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	41	178.4	-53.8	-30.1	0	0	0	113.1	R50	N48-R50 VanDerWaalsContact C-N 3.28Å; N48-R50 PolarHBondContact O-N 2.99Å
49	G	86.6	Confident	95.1	Very high	41 Å²	41	43.4 Å²	43.4	42%	0.423	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	8.6	176.6	0	0	0	0	0	115.5	Y46 K47	Y46-G49 WeakPolarHBondContact OH-CA 3.24Å; Y46-G49 PolarHBondContact OH-O 3.42Å; K47-G49 VanDerWaalsContact C-N 3.3Å; K47-G49 PolarHBondContact O-N 3.3Å
50	R	91.1	Very high	95.2	Very high	141 Å²	141	46.2 Å²	46.2	53%	0.532	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	161.6	178.1	68.4	-175.8	-170.7	-120.9	-0.1	112	K47 N48 E52	K47-R50 PolarHBondContact N-O 2.9Å; K47-R50 PolarHBondContact O-N 3.24Å; N48-R50 VanDerWaalsContact C-N 3.28Å; N48-R50 PolarHBondContact O-N 2.99Å; R50-E52 IonicContact CZ-OE1 3.53Å; R50-E52 IonicContact NE-OE1 3.45Å; R50-E52 PolarHBondContact NE-OE1 3.08Å; R50-E52 IonicContact NH2-OE1 3.7Å; R50-E52 PolarHBondContact NH2-OE1 3.35Å
51	V	94.7	Very high	95.1	Very high	14 Å²	14	50.1 Å²	50.1	9%	0.085	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	133.5	170.8	176.4	0	0	0	0	110.2	V45 Y46 I53 Y396 A399 V400	V45-V51 WeakPolarHBondContact O-CA 3.32Å; Y46-V51 HydrophobicContact CD2-CG2 3.76Å; Y46-V51 HydrophobicContact CE2-CG2 4.45Å; V51-I53 HydrophobicContact CG1-CD1 4.09Å; V51-Y396 HydrophobicContact CB-CD1 4.26Å; V51-Y396 HydrophobicContact CB-CD2 3.74Å; V51-Y396 HydrophobicContact CB-CE1 4.01Å; V51-Y396 HydrophobicContact CB-CE2 3.5Å; V51-Y396 VanDerWaalsContact CB-CE2 3.5Å; V51-Y396 HydrophobicContact CB-CG 4.11Å; V51-Y396 HydrophobicContact CG1-CD1 4.42Å; V51-Y396 HydrophobicContact CG1-CD2 3.65Å; V51-Y396 HydrophobicContact CG1-CE2 3.96Å; V51-Y396 HydrophobicContact CG1-CG 3.91Å; V51-Y396 HydrophobicContact CG2-CD1 3.84Å; V51-Y396 HydrophobicContact CG2-CD2 4.26Å; V51-Y396 HydrophobicContact CG2-CE1 3.55Å; V51-Y396 HydrophobicContact CG2-CE2 4.03Å; V51-Y396 HydrophobicContact CG2-CG 4.17Å; V51-A399 HydrophobicContact CG1-CB 3.83Å; V51-A399 HydrophobicContact CG2-CB 4.32Å; V51-V400 HydrophobicContact CG2-CG2 3.51Å
52	E	96.5	Very high	95.1	Very high	49 Å²	49	52 Å²	52	23%	0.229	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	120.3	168.2	-65.2	-69.7	177.4	0	0	108.9	G44 V45 R50	G44-E52 CarbonylContact C-O 3.57Å; G44-E52 WeakPolarHBondContact CA-O 3.32Å; V45-E52 HydrophobicContact CG1-CB 4.06Å; V45-E52 PolarHBondContact N-O 2.84Å; V45-E52 PolarHBondContact O-N 3.22Å; R50-E52 IonicContact CZ-OE1 3.53Å; R50-E52 IonicContact NE-OE1 3.45Å; R50-E52 PolarHBondContact NE-OE1 3.08Å; R50-E52 IonicContact NH2-OE1 3.7Å; R50-E52 PolarHBondContact NH2-OE1 3.35Å
53	I	98	Very high	95.1	Very high	21 Å²	21	52.2 Å²	52.2	11%	0.108	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	121	169.8	-60.1	-60.7	0	0	0	108.1	V51 R61 E392 A395	V51-I53 HydrophobicContact CG1-CD1 4.09Å; I53-R61 HydrophobicContact CG2-CB 3.97Å; I53-R61 HydrophobicContact CG2-CG 4.26Å; I53-E392 HydrophobicContact CG1-CB 4.31Å; I53-E392 HydrophobicContact CG2-CG 4.25Å; I53-A395 HydrophobicContact CD1-CB 4.18Å
54	I	98.3	Very high	95.1	Very high	5 Å²	5	52.1 Å²	52.1	3%	0.026	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-91.4	128.2	-166.5	-51.9	174.4	0	0	0	109.7	V43 V45 T156 A157 Y160	V43-I54 HydrophobicContact CG1-CB 4.22Å; V43-I54 PolarHBondContact O-N 2.85Å; V45-I54 HydrophobicContact CB-CD1 4.33Å; V45-I54 HydrophobicContact CG1-CD1 3.96Å; V45-I54 HydrophobicContact CG1-CG1 4.33Å; I54-T156 HydrophobicContact CB-CG2 4.43Å; I54-T156 HydrophobicContact CG2-CG2 3.82Å; I54-A157 HydrophobicContact CD1-CB 3.88Å; I54-Y160 HydrophobicContact CD1-CD1 3.78Å; I54-Y160 HydrophobicContact CD1-CE1 4.48Å; I54-Y160 HydrophobicContact CD1-CG 4.23Å; I54-Y160 HydrophobicContact CG1-CD1 3.98Å; I54-Y160 HydrophobicContact CG1-CE1 4.42Å; I54-Y160 HydrophobicContact CG1-CG 4.23Å; I54-Y160 VanDerWaalsContact CG2-CB 3.45Å; I54-Y160 HydrophobicContact CG2-CD1 4.33Å; I54-Y160 HydrophobicContact CG2-CD2 4.16Å; I54-Y160 HydrophobicContact CG2-CG 3.74Å
55	A	98.1	Very high	95.1	Very high	45 Å²	45	52.7 Å²	52.7	37%	0.372	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-77	142.5	172.9	0	0	0	0	0	111.1	N60 R61 T156	A55-N60 CarbonylContact C-O 3.56Å; A55-N60 WeakPolarHBondContact CA-O 3.34Å; A55-R61 HydrophobicContact CB-CG 4.46Å; A55-T156 WeakPolarHBondContact O-CG2 3.37Å
56	N	97.2	Very high	95.2	Very high	12 Å²	12	52.9 Å²	52.9	6%	0.064	28%	0.281	C	S	.	.			trans	-73.8	-179.7	173.3	73.5	9.9	0	0	0	112.1	Q58 G59 N60 T63 D79 T156	N56-Q58 PolarHBondContact O-N 3.04Å; N56-Q58 VanDerWaalsContact O-N 3.09Å; N56-Q58 WeakPolarHBondContact OD1-CA 3.32Å; N56-Q58 WeakPolarHBondContact OD1-CB 3.34Å; N56-Q58 PolarHBondContact OD1-N 2.91Å; N56-G59 PolarHBondContact O-N 3.06Å; N56-G59 PolarHBondContact OD1-N 3.04Å; N56-N60 PolarHBondContact N-O 2.83Å; N56-N60 PolarHBondContact OD1-N 3.32Å; N56-N60 PolarHBondContact OD1-O 3.37Å; N56-T63 PolarHBondContact ND2-OG1 3.41Å; N56-D79 PolarHBondContact ND2-OD2 2.99Å; N56-T156 HydrophobicContact CB-CG2 4.22Å
57	D	92.6	Very high	95.4	Very high	108 Å²	108	52.3 Å²	52.3	58%	0.578	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-9.9	179.5	59.1	29.4	0	0	0	115.1	K152	D57-K152 IonicContact OD2-NZ 3.87Å; D57-K152 PolarHBondContact OD2-NZ 2.86Å
58	Q	93.2	Very high	95.9	Very high	124 Å²	124	48 Å²	48	58%	0.579	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	3.6	171.3	-56.1	-55.3	-64.1	0	0	112.7	N56 N60 D79	N56-Q58 PolarHBondContact O-N 3.04Å; N56-Q58 VanDerWaalsContact O-N 3.09Å; N56-Q58 WeakPolarHBondContact OD1-CA 3.32Å; N56-Q58 WeakPolarHBondContact OD1-CB 3.34Å; N56-Q58 PolarHBondContact OD1-N 2.91Å; Q58-N60 VanDerWaalsContact C-N 3.31Å; Q58-D79 HydrophobicContact CG-CB 4.12Å
59	G	95.8	Very high	96.3	Very high	55 Å²	55	42.4 Å²	42.4	57%	0.567	23%	0.23	S	C	*	.	S	Bend	trans	78.4	9.4	-176.9	0	0	0	0	0	114.5	N56	N56-G59 PolarHBondContact O-N 3.06Å; N56-G59 PolarHBondContact OD1-N 3.04Å
60	N	97.6	Very high	96.6	Very high	69 Å²	69	41.3 Å²	41.3	37%	0.369	22%	0.215	S	C	.	.			trans	-91.8	132.5	-179.8	-61.5	-44.7	0	0	0	111.1	A55 N56 Q58 I62 D79	A55-N60 CarbonylContact C-O 3.56Å; A55-N60 WeakPolarHBondContact CA-O 3.34Å; N56-N60 PolarHBondContact N-O 2.83Å; N56-N60 PolarHBondContact OD1-N 3.32Å; N56-N60 PolarHBondContact OD1-O 3.37Å; Q58-N60 VanDerWaalsContact C-N 3.31Å; N60-I62 VanDerWaalsContact C-N 3.27Å; N60-I62 WeakPolarHBondContact CB-O 3.43Å; N60-I62 PolarHBondContact O-N 3.47Å; N60-D79 PolarHBondContact ND2-OD2 2.77Å
61	R	97.8	Very high	96.4	Very high	139 Å²	139	39.4 Å²	39.4	53%	0.525	23%	0.229	S	C	.	.	S	Bend	trans	-75.4	-13.9	176.4	-71.4	-177.3	179.1	-176.4	-3.6	114.7	C42 I53 A55 E392	C42-R61 PolarHBondContact SG-O 3.09Å; C42-R61 VanDerWaalsContact SG-O 3.34Å; I53-R61 HydrophobicContact CG2-CB 3.97Å; I53-R61 HydrophobicContact CG2-CG 4.26Å; A55-R61 HydrophobicContact CB-CG 4.46Å; R61-E392 WeakPolarHBondContact CD-OE1 3.24Å; R61-E392 IonicContact NH1-OE1 2.66Å; R61-E392 IonicContact NH1-OE2 2.74Å
62	I	98	Very high	95.9	Very high	40 Å²	40	43.8 Å²	43.8	21%	0.205	25%	0.252	C	S	.	.	S	Bend	trans	-126.8	141.6	173.4	63.2	177	0	0	0	107.9	Y40 S41 C42 N60 D391	Y40-I62 HydrophobicContact CD1-CB 4.23Å; Y40-I62 HydrophobicContact CD1-CD1 3.73Å; Y40-I62 HydrophobicContact CD1-CG1 3.8Å; Y40-I62 HydrophobicContact CE1-CD1 4.17Å; Y40-I62 HydrophobicContact CE1-CG1 4.34Å; Y40-I62 HydrophobicContact CG-CD1 3.96Å; Y40-I62 HydrophobicContact CG-CG1 4.39Å; S41-I62 CarbonylContact O-C 3.57Å; S41-I62 WeakPolarHBondContact O-CA 3.14Å; C42-I62 HydrophobicContact CB-CG2 4.07Å; N60-I62 VanDerWaalsContact C-N 3.27Å; N60-I62 WeakPolarHBondContact CB-O 3.43Å; N60-I62 PolarHBondContact O-N 3.47Å; I62-D391 HydrophobicContact CG2-CB 4.47Å
63	T	98.6	Very high	95.2	Very high	6 Å²	6	42.8 Å²	42.8	4%	0.037	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	130.5	-178.2	-62.6	0	0	0	0	109.3	Y40 S41 N56 S65 G78 M153	Y40-T63 CarbonylContact C-O 3.55Å; Y40-T63 VanDerWaalsContact CA-O 3.31Å; Y40-T63 WeakPolarHBondContact CA-O 3.23Å; S41-T63 PolarHBondContact N-O 3.05Å; S41-T63 PolarHBondContact O-N 3.04Å; N56-T63 PolarHBondContact ND2-OG1 3.41Å; T63-S65 PolarHBondContact O-N 3.16Å; T63-G78 VanDerWaalsContact CG2-CA 3.47Å; T63-M153 VanDerWaalsContact CB-CE 3.41Å; T63-M153 HydrophobicContact CG2-CE 3.62Å
64	P	98.4	Very high	94.8	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	136.1	175.7	-24.8	32.2	0	0	0	112.5	T39 Y40 Y66 G78 D79 K82	T39-P64 CarbonylContact O-C 3.57Å; T39-P64 WeakPolarHBondContact O-CA 3.42Å; Y40-P64 HydrophobicContact CD1-CB 4.45Å; Y40-P64 HydrophobicContact CD1-CG 4.19Å; Y40-P64 HydrophobicContact CE1-CB 4.28Å; Y40-P64 HydrophobicContact CE1-CG 3.74Å; P64-Y66 HydrophobicContact CB-CD2 3.56Å; P64-Y66 HydrophobicContact CB-CE2 4.26Å; P64-Y66 HydrophobicContact CB-CG 4.27Å; P64-Y66 PolarHBondContact O-N 3.08Å; P64-G78 VanDerWaalsContact O-CA 3.31Å; P64-G78 WeakPolarHBondContact O-CA 3.42Å; P64-D79 VanDerWaalsContact CD-OD1 3.23Å; P64-D79 WeakPolarHBondContact CD-OD1 3.4Å; P64-D79 WeakPolarHBondContact CG-OD1 2.91Å; P64-K82 HydrophobicContact CB-CB 4.09Å; P64-K82 HydrophobicContact CB-CD 3.9Å; P64-K82 HydrophobicContact CG-CB 4.17Å; P64-K82 HydrophobicContact CG-CD 3.84Å
65	S	98.6	Very high	94.5	Very high	12 Å²	12	45.1 Å²	45.1	8%	0.084	26%	0.264	C	S	.	.			trans	-78.7	57.2	174.9	-58.2	0	0	0	0	110.9	G37 T38 T39 S41 T63	G37-S65 WeakPolarHBondContact O-CB 3.39Å; G37-S65 PolarHBondContact O-OG 3.28Å; T38-S65 WeakPolarHBondContact O-CB 3.46Å; T39-S65 PolarHBondContact O-N 3.2Å; S41-S65 PolarHBondContact N-OG 3.49Å; S41-S65 PolarHBondContact OG-OG 3.15Å; T63-S65 PolarHBondContact O-N 3.16Å
66	Y	98.6	Very high	94.4	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.016	26%	0.256	C	S	.	.			trans	-118.5	139.9	-176	-78.8	-112.9	0	0	0	110.1	P64 I77 G78 K82 L85 T92 V93 F94	P64-Y66 HydrophobicContact CB-CD2 3.56Å; P64-Y66 HydrophobicContact CB-CE2 4.26Å; P64-Y66 HydrophobicContact CB-CG 4.27Å; P64-Y66 PolarHBondContact O-N 3.08Å; Y66-I77 WeakPolarHBondContact O-CA 3.37Å; Y66-G78 PolarHBondContact O-N 3.4Å; Y66-K82 HydrophobicContact CD1-CB 4.11Å; Y66-K82 HydrophobicContact CD1-CG 4.43Å; Y66-K82 HydrophobicContact CD2-CB 4.32Å; Y66-K82 HydrophobicContact CD2-CD 4.42Å; Y66-K82 HydrophobicContact CE1-CG 4.35Å; Y66-K82 HydrophobicContact CE2-CD 4.13Å; Y66-K82 HydrophobicContact CE2-CG 4.46Å; Y66-K82 HydrophobicContact CG-CB 4.02Å; Y66-L85 HydrophobicContact CE1-CD2 4.12Å; Y66-T92 HydrophobicContact CD1-CG2 3.99Å; Y66-V93 WeakPolarHBondContact CA-O 3.48Å; Y66-F94 HydrophobicContact CD1-CB 3.67Å; Y66-F94 HydrophobicContact CD1-CD1 4.21Å; Y66-F94 HydrophobicContact CD1-CG 4.24Å; Y66-F94 HydrophobicContact CD2-CB 4.07Å; Y66-F94 HydrophobicContact CE1-CB 3.41Å; Y66-F94 VanDerWaalsContact CE1-CB 3.41Å; Y66-F94 AromaticContact CE1-CD1 3.66Å; Y66-F94 HydrophobicContact CE1-CD1 3.66Å; Y66-F94 HydrophobicContact CE1-CD2 4.46Å; Y66-F94 AromaticContact CE1-CG 3.6Å; Y66-F94 HydrophobicContact CE1-CG 3.6Å; Y66-F94 HydrophobicContact CE2-CB 3.86Å; Y66-F94 HydrophobicContact CG-CB 3.97Å; Y66-F94 AromaticContact CZ-CG 3.82Å
67	V	98.4	Very high	94.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	132.9	172.9	179.7	0	0	0	0	108.2	F69 R75 L76 I77 T92 V93 I145 M148 V149	V67-F69 HydrophobicContact CG1-CE2 3.9Å; V67-F69 HydrophobicContact CG1-CZ 4.1Å; V67-R75 HydrophobicContact CG1-CG 4.36Å; V67-L76 CarbonylContact C-O 3.59Å; V67-L76 WeakPolarHBondContact CA-O 3.24Å; V67-I77 HydrophobicContact CG2-CG1 4.49Å; V67-I77 HydrophobicContact CG2-CG2 4.43Å; V67-T92 CarbonylContact O-C 3.5Å; V67-V93 PolarHBondContact N-O 3.13Å; V67-V93 PolarHBondContact O-N 3.38Å; V67-I145 HydrophobicContact CB-CG2 4.32Å; V67-I145 HydrophobicContact CG2-CG2 3.98Å; V67-M148 HydrophobicContact CG1-SD 3.63Å; V67-M148 HydrophobicContact CG2-CB 3.94Å; V67-V149 HydrophobicContact CG2-CG2 3.95Å
68	A	98.2	Very high	94.7	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	148.5	174.9	0	0	0	0	0	111.8	R75 L76 A81 N91 T92	A68-R75 CarbonylContact O-C 3.44Å; A68-R75 WeakPolarHBondContact O-CA 3.38Å; A68-L76 HydrophobicContact CB-CB 4.31Å; A68-L76 PolarHBondContact N-O 3.25Å; A68-L76 PolarHBondContact O-N 2.87Å; A68-A81 HydrophobicContact CB-CB 3.89Å; A68-N91 VanDerWaalsContact CA-O 3.24Å; A68-N91 WeakPolarHBondContact CA-O 3.29Å; A68-T92 HydrophobicContact CB-CG2 4.14Å
69	F	96.2	Very high	94.8	Very high	6 Å²	6	35.4 Å²	35.4	3%	0.026	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	124	172.5	-60	-90.9	0	0	0	108.3	V67 R75 N88 N91 V131 T133 F140 M148	V67-F69 HydrophobicContact CG1-CE2 3.9Å; V67-F69 HydrophobicContact CG1-CZ 4.1Å; F69-R75 HydrophobicContact CD1-CB 4.46Å; F69-R75 HydrophobicContact CD1-CG 4.34Å; F69-R75 HydrophobicContact CE1-CB 4.42Å; F69-R75 HydrophobicContact CE1-CG 3.96Å; F69-R75 HydrophobicContact CZ-CG 4.46Å; F69-N88 PolarHBondContact O-ND2 3.38Å; F69-N91 PolarHBondContact N-O 3.01Å; F69-N91 WeakPolarHBondContact O-CB 3.3Å; F69-V131 HydrophobicContact CD2-CB 4.13Å; F69-V131 HydrophobicContact CD2-CG1 4.34Å; F69-V131 HydrophobicContact CD2-CG2 3.59Å; F69-V131 HydrophobicContact CE2-CG2 3.78Å; F69-V131 HydrophobicContact CG-CG2 4.22Å; F69-T133 HydrophobicContact CB-CG2 4.08Å; F69-T133 HydrophobicContact CD1-CG2 3.84Å; F69-T133 HydrophobicContact CE1-CG2 4.48Å; F69-T133 HydrophobicContact CG-CG2 3.96Å; F69-F140 AromaticContact CE1-CE2 3.97Å; F69-F140 HydrophobicContact CE1-CE2 3.97Å; F69-F140 AromaticContact CE1-CZ 3.95Å; F69-F140 HydrophobicContact CE1-CZ 3.95Å; F69-F140 HydrophobicContact CE2-CD2 4.26Å; F69-F140 AromaticContact CE2-CE2 3.79Å; F69-F140 HydrophobicContact CE2-CE2 3.79Å; F69-F140 HydrophobicContact CZ-CD2 4.15Å; F69-F140 AromaticContact CZ-CE2 3.41Å; F69-F140 HydrophobicContact CZ-CE2 3.41Å; F69-F140 VanDerWaalsContact CZ-CE2 3.41Å; F69-F140 AromaticContact CZ-CZ 3.69Å; F69-F140 HydrophobicContact CZ-CZ 3.69Å; F69-M148 HydrophobicContact CZ-CE 4Å; F69-M148 HydrophobicContact CZ-SD 3.88Å
70	T	92.7	Very high	94.8	Very high	18 Å²	18	35.1 Å²	35.1	11%	0.11	20%	0.201	C	C	.	.			trans	-92.6	161.6	-178	67.7	0	0	0	0	111	D72 G73 E74 L76	T70-D72 VanDerWaalsContact C-N 3.29Å; T70-D72 WeakPolarHBondContact CB-OD1 3.32Å; T70-D72 PolarHBondContact O-N 3.29Å; T70-D72 PolarHBondContact OG1-OD1 3.13Å; T70-G73 PolarHBondContact O-N 3.46Å; T70-G73 VanDerWaalsContact O-N 3.09Å; T70-E74 HydrophobicContact CG2-CB 4.34Å; T70-E74 PolarHBondContact N-O 3.18Å; T70-E74 WeakPolarHBondContact OG1-CA 3.16Å; T70-E74 VanDerWaalsContact OG1-CB 3.3Å; T70-E74 WeakPolarHBondContact OG1-CB 3.47Å; T70-E74 PolarHBondContact OG1-N 3.36Å; T70-E74 PolarHBondContact OG1-O 3.04Å; T70-L76 HydrophobicContact CG2-CD1 3.59Å; T70-L76 HydrophobicContact CG2-CG 3.85Å
71	A	86.9	Confident	94.9	Very high	100 Å²	100	31.8 Å²	31.8	83%	0.826	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-29.2	-176.8	0	0	0	0	0	113.2
72	D	83.3	Confident	94.9	Very high	106 Å²	106	27 Å²	27	57%	0.567	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-7.2	173.1	53.7	-30.8	0	0	0	113.3	T70	T70-D72 VanDerWaalsContact C-N 3.29Å; T70-D72 WeakPolarHBondContact CB-OD1 3.32Å; T70-D72 PolarHBondContact O-N 3.29Å; T70-D72 PolarHBondContact OG1-OD1 3.13Å
73	G	83.3	Confident	94.8	Very high	28 Å²	28	30.9 Å²	30.9	29%	0.289	19%	0.188	S	C	.	.	S	Bend	trans	97.4	10.2	172.4	0	0	0	0	0	115.2	T70 S134	T70-G73 PolarHBondContact O-N 3.46Å; T70-G73 VanDerWaalsContact O-N 3.09Å; G73-S134 VanDerWaalsContact CA-CB 3.48Å; G73-S134 WeakPolarHBondContact CA-OG 3.47Å
74	E	88.1	Confident	94.6	Very high	48 Å²	48	32 Å²	32	22%	0.224	19%	0.192	C	C	.	.			trans	-77.9	143.4	173.7	-51	-169.8	158.6	0	0	110.7	T70 L76 L555 R558	T70-E74 HydrophobicContact CG2-CB 4.34Å; T70-E74 PolarHBondContact N-O 3.18Å; T70-E74 WeakPolarHBondContact OG1-CA 3.16Å; T70-E74 VanDerWaalsContact OG1-CB 3.3Å; T70-E74 WeakPolarHBondContact OG1-CB 3.47Å; T70-E74 PolarHBondContact OG1-N 3.36Å; T70-E74 PolarHBondContact OG1-O 3.04Å; E74-L76 HydrophobicContact CB-CD2 4.47Å; E74-L555 HydrophobicContact CB-CD2 4.07Å; E74-L555 HydrophobicContact CG-CD2 3.75Å; E74-L555 WeakPolarHBondContact OE1-CD1 3.32Å; E74-R558 IonicContact OE1-NH2 2.72Å; E74-R558 PolarHBondContact OE1-NH2 2.96Å; E74-R558 VanDerWaalsContact OE1-NH2 3.11Å
75	R	92.9	Very high	94.6	Very high	28 Å²	28	32.4 Å²	32.4	11%	0.106	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	113.5	170.3	-177.3	178.6	64	171.9	2.8	108.8	V67 A68 F69 I77 D552	V67-R75 HydrophobicContact CG1-CG 4.36Å; A68-R75 CarbonylContact O-C 3.44Å; A68-R75 WeakPolarHBondContact O-CA 3.38Å; F69-R75 HydrophobicContact CD1-CB 4.46Å; F69-R75 HydrophobicContact CD1-CG 4.34Å; F69-R75 HydrophobicContact CE1-CB 4.42Å; F69-R75 HydrophobicContact CE1-CG 3.96Å; F69-R75 HydrophobicContact CZ-CG 4.46Å; R75-I77 HydrophobicContact CG-CG1 4.39Å; R75-D552 IonicContact CZ-OD2 2.87Å; R75-D552 IonicContact NE-OD2 3.62Å; R75-D552 PolarHBondContact NE-OD2 2.71Å; R75-D552 IonicContact NH2-OD2 2.7Å; R75-D552 PolarHBondContact NH2-OD2 2.83Å
76	L	95.8	Very high	94.4	Very high	37 Å²	37	32.7 Å²	32.7	19%	0.194	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	139	177.8	-53.7	178.3	0	0	0	109.7	V67 A68 T70 E74 A80 A81 Q84	V67-L76 CarbonylContact C-O 3.59Å; V67-L76 WeakPolarHBondContact CA-O 3.24Å; A68-L76 HydrophobicContact CB-CB 4.31Å; A68-L76 PolarHBondContact N-O 3.25Å; A68-L76 PolarHBondContact O-N 2.87Å; T70-L76 HydrophobicContact CG2-CD1 3.59Å; T70-L76 HydrophobicContact CG2-CG 3.85Å; E74-L76 HydrophobicContact CB-CD2 4.47Å; L76-A80 HydrophobicContact CB-CB 4.18Å; L76-A80 HydrophobicContact CD2-CB 4.33Å; L76-A81 HydrophobicContact CB-CB 4.1Å; L76-Q84 HydrophobicContact CD1-CG 3.81Å
77	I	97.5	Very high	94.3	Very high	20 Å²	20	37 Å²	37	10%	0.103	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	141.2	177.8	-52	167.3	0	0	0	108.4	Y66 V67 R75 M148 K152	Y66-I77 WeakPolarHBondContact O-CA 3.37Å; V67-I77 HydrophobicContact CG2-CG1 4.49Å; V67-I77 HydrophobicContact CG2-CG2 4.43Å; R75-I77 HydrophobicContact CG-CG1 4.39Å; I77-M148 HydrophobicContact CD1-CB 3.97Å; I77-K152 HydrophobicContact CB-CB 4.24Å; I77-K152 HydrophobicContact CB-CG 4.35Å; I77-K152 HydrophobicContact CD1-CB 4.45Å; I77-K152 HydrophobicContact CG2-CB 3.64Å; I77-K152 HydrophobicContact CG2-CG 3.99Å
78	G	98.1	Very high	94.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.7	-136.7	176.1	0	0	0	0	0	114.4	T63 P64 Y66 A80 A81 K82	T63-G78 VanDerWaalsContact CG2-CA 3.47Å; P64-G78 VanDerWaalsContact O-CA 3.31Å; P64-G78 WeakPolarHBondContact O-CA 3.42Å; Y66-G78 PolarHBondContact O-N 3.4Å; G78-A80 VanDerWaalsContact C-N 3.3Å; G78-A80 PolarHBondContact O-N 3.16Å; G78-A81 PolarHBondContact O-N 3.41Å; G78-K82 PolarHBondContact O-N 3.19Å
79	D	96.9	Very high	94.2	Very high	28 Å²	28	39.2 Å²	39.2	15%	0.15	24%	0.236	C	C	.	.	H	α-helix	trans	-58.7	-41.3	-176.6	-69.7	-56.7	0	0	0	112	N56 Q58 N60 P64 A81 K82 N83	N56-D79 PolarHBondContact ND2-OD2 2.99Å; Q58-D79 HydrophobicContact CG-CB 4.12Å; N60-D79 PolarHBondContact ND2-OD2 2.77Å; P64-D79 VanDerWaalsContact CD-OD1 3.23Å; P64-D79 WeakPolarHBondContact CD-OD1 3.4Å; P64-D79 WeakPolarHBondContact CG-OD1 2.91Å; D79-A81 PolarHBondContact O-N 3.02Å; D79-K82 PolarHBondContact O-N 3.02Å; D79-N83 WeakPolarHBondContact O-CB 3.3Å; D79-N83 PolarHBondContact O-N 2.88Å; D79-N83 PolarHBondContact O-ND2 3.19Å; D79-N83 VanDerWaalsContact O-ND2 3.17Å
80	A	95.9	Very high	94.2	Very high	48 Å²	48	44 Å²	44	40%	0.397	26%	0.258	S	S	.	.	H	α-helix	trans	-58.3	-46.7	176.6	0	0	0	0	0	111.8	L76 G78 N83 Q84	L76-A80 HydrophobicContact CB-CB 4.18Å; L76-A80 HydrophobicContact CD2-CB 4.33Å; G78-A80 VanDerWaalsContact C-N 3.3Å; G78-A80 PolarHBondContact O-N 3.16Å; A80-N83 PolarHBondContact O-N 2.94Å; A80-Q84 WeakPolarHBondContact O-CG 3.48Å; A80-Q84 PolarHBondContact O-N 3.45Å
81	A	98	Very high	94.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-65.1	-43.8	176.9	0	0	0	0	0	112.1	A68 L76 G78 D79 N83 Q84 L85	A68-A81 HydrophobicContact CB-CB 3.89Å; L76-A81 HydrophobicContact CB-CB 4.1Å; G78-A81 PolarHBondContact O-N 3.41Å; D79-A81 PolarHBondContact O-N 3.02Å; A81-N83 VanDerWaalsContact C-N 3.34Å; A81-N83 PolarHBondContact O-N 3.28Å; A81-Q84 PolarHBondContact O-N 2.99Å; A81-Q84 PolarHBondContact O-NE2 3.33Å; A81-L85 PolarHBondContact O-N 2.88Å
82	K	97.7	Very high	95	Very high	37 Å²	37	39.5 Å²	39.5	16%	0.161	22%	0.22	C	C	.	.	H	α-helix	trans	-63	-38.9	178.3	-176	166.3	178.9	160.6	0	112.1	Y40 P64 Y66 G78 D79 Q84 L85 E293	Y40-K82 PolarHBondContact OH-NZ 3.05Å; P64-K82 HydrophobicContact CB-CB 4.09Å; P64-K82 HydrophobicContact CB-CD 3.9Å; P64-K82 HydrophobicContact CG-CB 4.17Å; P64-K82 HydrophobicContact CG-CD 3.84Å; Y66-K82 HydrophobicContact CD1-CB 4.11Å; Y66-K82 HydrophobicContact CD1-CG 4.43Å; Y66-K82 HydrophobicContact CD2-CB 4.32Å; Y66-K82 HydrophobicContact CD2-CD 4.42Å; Y66-K82 HydrophobicContact CE1-CG 4.35Å; Y66-K82 HydrophobicContact CE2-CD 4.13Å; Y66-K82 HydrophobicContact CE2-CG 4.46Å; Y66-K82 HydrophobicContact CG-CB 4.02Å; G78-K82 PolarHBondContact O-N 3.19Å; D79-K82 PolarHBondContact O-N 3.02Å; K82-Q84 PolarHBondContact O-N 3.11Å; K82-L85 WeakPolarHBondContact O-CB 3.34Å; K82-L85 PolarHBondContact O-N 2.83Å; K82-E293 IonicContact NZ-OE1 3.46Å; K82-E293 PolarHBondContact NZ-OE1 3.01Å; K82-E293 IonicContact NZ-OE2 4Å; K82-E293 PolarHBondContact NZ-OE2 3.37Å
83	N	96	Very high	95.7	Very high	122 Å²	122	34.5 Å²	34.5	65%	0.652	19%	0.193	S	C	*	.	H	α-helix	trans	-64.1	-37.3	-177.3	-74.3	-23.5	0	0	0	113.2	D79 A80 A81	D79-N83 WeakPolarHBondContact O-CB 3.3Å; D79-N83 PolarHBondContact O-N 2.88Å; D79-N83 PolarHBondContact O-ND2 3.19Å; D79-N83 VanDerWaalsContact O-ND2 3.17Å; A80-N83 PolarHBondContact O-N 2.94Å; A81-N83 VanDerWaalsContact C-N 3.34Å; A81-N83 PolarHBondContact O-N 3.28Å
84	Q	96	Very high	96.4	Very high	29 Å²	29	33.2 Å²	33.2	14%	0.136	18%	0.179	C	C	.	.	H	α-helix	trans	-91.7	1.1	-178	63.4	74.7	68.3	0	0	114.9	L76 A80 A81 K82 T86 T87 N88 T92	L76-Q84 HydrophobicContact CD1-CG 3.81Å; A80-Q84 WeakPolarHBondContact O-CG 3.48Å; A80-Q84 PolarHBondContact O-N 3.45Å; A81-Q84 PolarHBondContact O-N 2.99Å; A81-Q84 PolarHBondContact O-NE2 3.33Å; K82-Q84 PolarHBondContact O-N 3.11Å; Q84-T86 PolarHBondContact O-N 3.49Å; Q84-T86 VanDerWaalsContact O-N 3.08Å; Q84-T87 PolarHBondContact O-N 3.33Å; Q84-T87 PolarHBondContact O-OG1 2.95Å; Q84-N88 PolarHBondContact O-N 3.47Å; Q84-N88 VanDerWaalsContact O-N 3.1Å; Q84-N88 PolarHBondContact OE1-ND2 2.94Å; Q84-N88 VanDerWaalsContact OE1-ND2 3.13Å; Q84-T92 PolarHBondContact NE2-OG1 3.45Å
85	L	97.1	Very high	96.9	Very high	10 Å²	10	31.3 Å²	31.3	5%	0.052	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-42.6	-179.4	171.2	65.7	0	0	0	113	Y66 A81 K82 T87 N88 P89 T92 F94 Q286	Y66-L85 HydrophobicContact CE1-CD2 4.12Å; A81-L85 PolarHBondContact O-N 2.88Å; K82-L85 WeakPolarHBondContact O-CB 3.34Å; K82-L85 PolarHBondContact O-N 2.83Å; L85-T87 VanDerWaalsContact C-N 3.27Å; L85-T87 PolarHBondContact O-N 2.84Å; L85-N88 CarbonylContact O-C 3.47Å; L85-N88 PolarHBondContact O-N 3.38Å; L85-P89 WeakPolarHBondContact O-CA 3.45Å; L85-P89 WeakPolarHBondContact O-CB 3.24Å; L85-P89 VanDerWaalsContact O-N 3.13Å; L85-T92 HydrophobicContact CB-CG2 4.1Å; L85-T92 HydrophobicContact CD1-CG2 3.65Å; L85-T92 HydrophobicContact CG-CG2 4.46Å; L85-F94 HydrophobicContact CD1-CD1 4.2Å; L85-F94 HydrophobicContact CD1-CE1 3.83Å; L85-Q286 HydrophobicContact CD1-CG 4.13Å; L85-Q286 HydrophobicContact CD2-CB 4.38Å; L85-Q286 HydrophobicContact CD2-CG 4.44Å; L85-Q286 HydrophobicContact CG-CB 4.16Å; L85-Q286 HydrophobicContact CG-CG 4.09Å
86	T	95.5	Very high	97.1	Very high	17 Å²	17	30.3 Å²	30.3	10%	0.104	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-18.6	-176.1	63.8	0	0	0	0	113.8	Q84 R283 Q286 K287	Q84-T86 PolarHBondContact O-N 3.49Å; Q84-T86 VanDerWaalsContact O-N 3.08Å; T86-R283 VanDerWaalsContact O-CG 3.22Å; T86-R283 WeakPolarHBondContact O-CG 3.19Å; T86-Q286 HydrophobicContact CG2-CB 4.25Å; T86-K287 HydrophobicContact CG2-CG 4.12Å
87	T	95.5	Very high	97.2	Very high	96 Å²	96	29.1 Å²	29.1	59%	0.589	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-22.3	177.9	42.8	0	0	0	0	112.8	Q84 L85	Q84-T87 PolarHBondContact O-N 3.33Å; Q84-T87 PolarHBondContact O-OG1 2.95Å; L85-T87 VanDerWaalsContact C-N 3.27Å; L85-T87 PolarHBondContact O-N 2.84Å
88	N	96.8	Very high	97.1	Very high	31 Å²	31	28.4 Å²	28.4	17%	0.166	16%	0.158	C	C	.	.	S	Bend	trans	-137.7	57.3	-178.6	-174.6	24.2	0	0	0	111.6	F69 Q84 L85 E90 N91 T92	F69-N88 PolarHBondContact O-ND2 3.38Å; Q84-N88 PolarHBondContact O-N 3.47Å; Q84-N88 VanDerWaalsContact O-N 3.1Å; Q84-N88 PolarHBondContact OE1-ND2 2.94Å; Q84-N88 VanDerWaalsContact OE1-ND2 3.13Å; L85-N88 CarbonylContact O-C 3.47Å; L85-N88 PolarHBondContact O-N 3.38Å; N88-E90 VanDerWaalsContact C-N 3.29Å; N88-E90 PolarHBondContact O-N 2.8Å; N88-N91 PolarHBondContact O-N 3.14Å; N88-N91 WeakPolarHBondContact OD1-CB 3.47Å; N88-N91 PolarHBondContact OD1-ND2 2.87Å; N88-T92 WeakPolarHBondContact O-CB 3.36Å; N88-T92 PolarHBondContact O-N 3.44Å; N88-T92 PolarHBondContact O-OG1 3.38Å
89	P	97.1	Very high	97.1	Very high	15 Å²	15	28.5 Å²	28.5	10%	0.097	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-65.7	-30.2	-168.7	27	-36.2	0	0	0	113.6	L85 P117 N282 Q286	L85-P89 WeakPolarHBondContact O-CA 3.45Å; L85-P89 WeakPolarHBondContact O-CB 3.24Å; L85-P89 VanDerWaalsContact O-N 3.13Å; P89-P117 HydrophobicContact CB-CB 3.89Å; P89-P117 HydrophobicContact CB-CG 4.41Å; P89-P117 WeakPolarHBondContact O-CB 3.43Å; P89-P117 VanDerWaalsContact O-CG 3.23Å; P89-P117 WeakPolarHBondContact O-CG 3.3Å; P89-N282 HydrophobicContact CB-CB 4.1Å; P89-N282 HydrophobicContact CG-CB 3.74Å; P89-Q286 HydrophobicContact CB-CG 3.73Å
90	E	97.2	Very high	97	Very high	105 Å²	105	27.2 Å²	27.2	49%	0.491	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-79.5	-22.1	-174.3	-59.6	-176.9	175.2	0	0	113.1	N88 F118 N282	N88-E90 VanDerWaalsContact C-N 3.29Å; N88-E90 PolarHBondContact O-N 2.8Å; E90-F118 WeakPolarHBondContact O-CA 3.42Å; E90-F118 VanDerWaalsContact O-CB 3.24Å; E90-F118 WeakPolarHBondContact O-CB 3.47Å; E90-N282 PolarHBondContact OE1-ND2 2.92Å
91	N	97.9	Very high	96.9	Very high	25 Å²	25	25.6 Å²	25.6	13%	0.134	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-112.3	18.3	178.4	-50.5	-58.9	0	0	0	112.5	A68 F69 N88 D132	A68-N91 VanDerWaalsContact CA-O 3.24Å; A68-N91 WeakPolarHBondContact CA-O 3.29Å; F69-N91 PolarHBondContact N-O 3.01Å; F69-N91 WeakPolarHBondContact O-CB 3.3Å; N88-N91 PolarHBondContact O-N 3.14Å; N88-N91 WeakPolarHBondContact OD1-CB 3.47Å; N88-N91 PolarHBondContact OD1-ND2 2.87Å; N91-D132 PolarHBondContact OD1-N 3.43Å; N91-D132 PolarHBondContact OD1-O 3.45Å
92	T	98.4	Very high	96.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	107.7	173.8	-53.7	0	0	0	0	109.4	Y66 V67 A68 Q84 L85 N88 F118	Y66-T92 HydrophobicContact CD1-CG2 3.99Å; V67-T92 CarbonylContact O-C 3.5Å; A68-T92 HydrophobicContact CB-CG2 4.14Å; Q84-T92 PolarHBondContact NE2-OG1 3.45Å; L85-T92 HydrophobicContact CB-CG2 4.1Å; L85-T92 HydrophobicContact CD1-CG2 3.65Å; L85-T92 HydrophobicContact CG-CG2 4.46Å; N88-T92 WeakPolarHBondContact O-CB 3.36Å; N88-T92 PolarHBondContact O-N 3.44Å; N88-T92 PolarHBondContact O-OG1 3.38Å; T92-F118 VanDerWaalsContact O-CD1 3.25Å; T92-F118 WeakPolarHBondContact O-CD1 3.43Å
93	V	98.6	Very high	96.4	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	134.3	-177.2	-167.4	0	0	0	0	109.9	Y66 V67 F118 I129 V131 I145	Y66-V93 WeakPolarHBondContact CA-O 3.48Å; V67-V93 PolarHBondContact N-O 3.13Å; V67-V93 PolarHBondContact O-N 3.38Å; V93-F118 HydrophobicContact CG1-CE1 4.32Å; V93-F118 HydrophobicContact CG1-CE2 4.27Å; V93-F118 HydrophobicContact CG1-CZ 4.15Å; V93-I129 HydrophobicContact CG1-CG1 4.22Å; V93-I129 HydrophobicContact CG1-CG2 4.07Å; V93-I129 HydrophobicContact CG2-CG2 3.71Å; V93-V131 HydrophobicContact CG2-CG1 3.76Å; V93-I145 HydrophobicContact CB-CG2 4.32Å; V93-I145 HydrophobicContact CG1-CG1 4.35Å; V93-I145 HydrophobicContact CG1-CG2 3.91Å; V93-I145 HydrophobicContact CG2-CD1 4.41Å
94	F	98.4	Very high	96.3	Very high	1 Å²	1	24.9 Å²	24.9	0%	0.004	13%	0.129	C	C	.	.			trans	-147.3	171.7	174.1	57.1	-86.7	0	0	0	108.8	Y66 L85 A96 F116 P117 F118	Y66-F94 HydrophobicContact CD1-CB 3.67Å; Y66-F94 HydrophobicContact CD1-CD1 4.21Å; Y66-F94 HydrophobicContact CD1-CG 4.24Å; Y66-F94 HydrophobicContact CD2-CB 4.07Å; Y66-F94 HydrophobicContact CE1-CB 3.41Å; Y66-F94 VanDerWaalsContact CE1-CB 3.41Å; Y66-F94 AromaticContact CE1-CD1 3.66Å; Y66-F94 HydrophobicContact CE1-CD1 3.66Å; Y66-F94 HydrophobicContact CE1-CD2 4.46Å; Y66-F94 AromaticContact CE1-CG 3.6Å; Y66-F94 HydrophobicContact CE1-CG 3.6Å; Y66-F94 HydrophobicContact CE2-CB 3.86Å; Y66-F94 HydrophobicContact CG-CB 3.97Å; Y66-F94 AromaticContact CZ-CG 3.82Å; L85-F94 HydrophobicContact CD1-CD1 4.2Å; L85-F94 HydrophobicContact CD1-CE1 3.83Å; F94-A96 PolarHBondContact O-N 2.92Å; F94-F116 HydrophobicContact CE2-CD1 4.35Å; F94-P117 HydrophobicContact CE1-CG 3.8Å; F94-P117 HydrophobicContact CZ-CG 4.12Å; F94-F118 HydrophobicContact CD1-CD1 4.46Å; F94-F118 AromaticContact CD1-CE1 3.95Å; F94-F118 HydrophobicContact CD1-CE1 3.95Å; F94-F118 HydrophobicContact CE1-CD1 4.29Å; F94-F118 AromaticContact CE1-CE1 3.93Å; F94-F118 HydrophobicContact CE1-CE1 3.93Å; F94-F118 HydrophobicContact CG-CE1 4.35Å; F94-F118 HydrophobicContact CZ-CE1 4.31Å; F94-F118 WeakPolarHBondContact O-CZ 3.36Å
95	D	97.7	Very high	96.2	Very high	7 Å²	7	27.3 Å²	27.3	4%	0.037	15%	0.15	C	C	.	.			trans	55.4	22.8	-177.2	-59.9	-21.3	0	0	0	114.6	T38 K97 R98 F116	T38-D95 HydrophobicContact CG2-CB 4.28Å; D95-K97 PolarHBondContact O-N 2.91Å; D95-R98 WeakPolarHBondContact O-CB 3.49Å; D95-R98 PolarHBondContact O-N 3.44Å; D95-F116 HydrophobicContact CB-CE1 3.86Å; D95-F116 HydrophobicContact CB-CZ 4.06Å
96	A	97.7	Very high	96	Very high	8 Å²	8	28.7 Å²	28.7	7%	0.066	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-56.9	-28.2	179	0	0	0	0	0	112.4	F94 R98 L99 I100 I145	F94-A96 PolarHBondContact O-N 2.92Å; A96-R98 PolarHBondContact O-N 2.97Å; A96-L99 PolarHBondContact O-N 2.96Å; A96-I100 PolarHBondContact O-N 3.33Å; A96-I145 HydrophobicContact CB-CB 4.1Å; A96-I145 HydrophobicContact CB-CG2 3.68Å
97	K	97.4	Very high	95.9	Very high	11 Å²	11	33.1 Å²	33.1	5%	0.048	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-62.4	-22.2	173.8	-165.1	175.1	-175.3	-176.8	0	113.6	L36 T38 D95 L99 I100 F176 E201	L36-K97 VanDerWaalsContact O-CD 3.24Å; L36-K97 WeakPolarHBondContact O-CD 3.45Å; L36-K97 WeakPolarHBondContact O-CE 3.42Å; L36-K97 PolarHBondContact O-NZ 3.43Å; T38-K97 HydrophobicContact CG2-CB 4.43Å; D95-K97 PolarHBondContact O-N 2.91Å; K97-L99 VanDerWaalsContact C-N 3.33Å; K97-I100 HydrophobicContact CG-CG2 4.41Å; K97-I100 WeakPolarHBondContact O-CG2 3.16Å; K97-F176 HydrophobicContact CG-CZ 4.02Å; K97-E201 IonicContact NZ-OE1 3.62Å; K97-E201 PolarHBondContact NZ-OE1 3.34Å
98	R	96.2	Very high	95.8	Very high	6 Å²	6	30.7 Å²	30.7	2%	0.023	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-78	-17.8	171.4	-73.9	-153.2	162.2	-174.5	8	113.3	T38 D95 A96 R102 G228 H252 D257	T38-R98 HydrophobicContact CG2-CG 4.22Å; D95-R98 WeakPolarHBondContact O-CB 3.49Å; D95-R98 PolarHBondContact O-N 3.44Å; A96-R98 PolarHBondContact O-N 2.97Å; R98-R102 WeakPolarHBondContact O-CD 3.46Å; R98-R102 PolarHBondContact O-NE 2.91Å; R98-G228 VanDerWaalsContact CZ-O 3.27Å; R98-G228 PolarHBondContact NE-O 3.49Å; R98-G228 VanDerWaalsContact NE-O 3.07Å; R98-G228 VanDerWaalsContact NH2-C 3.34Å; R98-G228 VanDerWaalsContact NH2-CA 3.34Å; R98-G228 PolarHBondContact NH2-O 3.43Å; R98-H252 PolarHBondContact NH1-CD2 2.94Å; R98-H252 VanDerWaalsContact NH1-CD2 3.28Å; R98-H252 PolarHBondContact NH1-CE1 3.49Å; R98-H252 PolarHBondContact NH1-NE2 3.3Å; R98-H252 VanDerWaalsContact NH1-NE2 3.16Å; R98-H252 VanDerWaalsContact NH2-C 3.28Å; R98-D257 IonicContact CZ-OD1 3.59Å; R98-D257 IonicContact CZ-OD2 3.89Å; R98-D257 IonicContact NH1-OD1 3.31Å; R98-D257 PolarHBondContact NH1-OD1 2.74Å; R98-D257 IonicContact NH1-OD2 3.23Å; R98-D257 PolarHBondContact NH1-OD2 3.17Å; R98-D257 IonicContact NH2-OD1 3.38Å; R98-D257 IonicContact NH2-OD2 3.13Å; R98-D257 PolarHBondContact NH2-OD2 3.08Å
99	L	97.1	Very high	95.8	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-27.1	178	-60.6	179.1	0	0	0	113.3	A96 K97 G101 R102 V109 F116 V120 P127 I129 P142	A96-L99 PolarHBondContact O-N 2.96Å; K97-L99 VanDerWaalsContact C-N 3.33Å; L99-G101 PolarHBondContact O-N 3.29Å; L99-R102 PolarHBondContact O-N 2.99Å; L99-V109 HydrophobicContact CD2-CG1 4.1Å; L99-V109 HydrophobicContact CD2-CG2 4.18Å; L99-F116 HydrophobicContact CD1-CE2 4.14Å; L99-F116 HydrophobicContact CD2-CE2 4.15Å; L99-F116 HydrophobicContact CG-CE2 4.27Å; L99-V120 HydrophobicContact CD1-CG1 4.42Å; L99-V120 HydrophobicContact CD1-CG2 4.26Å; L99-P127 HydrophobicContact CB-CG 4.36Å; L99-P127 HydrophobicContact CD2-CB 4.37Å; L99-P127 HydrophobicContact CD2-CG 4.45Å; L99-I129 HydrophobicContact CD1-CD1 4.15Å; L99-I129 HydrophobicContact CD1-CG1 4.18Å; L99-P142 HydrophobicContact CB-CB 4.22Å; L99-P142 HydrophobicContact CB-CG 3.83Å
100	I	95.5	Very high	95.8	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	133.4	-174.6	-158.8	169	0	0	0	111.8	A96 K97 R102 P142 E143 F176 Q180 A183	A96-I100 PolarHBondContact O-N 3.33Å; K97-I100 HydrophobicContact CG-CG2 4.41Å; K97-I100 WeakPolarHBondContact O-CG2 3.16Å; I100-R102 PolarHBondContact O-N 3.45Å; I100-P142 HydrophobicContact CB-CB 4.1Å; I100-P142 HydrophobicContact CG1-CB 4.32Å; I100-E143 HydrophobicContact CG1-CG 4.33Å; I100-F176 HydrophobicContact CG2-CE2 4.19Å; I100-F176 HydrophobicContact CG2-CZ 4.14Å; I100-Q180 WeakPolarHBondContact O-CG 3.35Å; I100-A183 HydrophobicContact CD1-CB 4.26Å; I100-A183 HydrophobicContact CG1-CB 3.64Å
101	G	92.4	Very high	95.8	Very high	15 Å²	15	30.5 Å²	30.5	16%	0.155	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	9.1	178.3	0	0	0	0	0	116.4	L99	L99-G101 PolarHBondContact O-N 3.29Å
102	R	93	Very high	95.7	Very high	24 Å²	24	29.8 Å²	29.8	9%	0.091	16%	0.161	C	C	.	.			trans	-97.9	158.4	178.7	-62.7	-171.9	-176.9	-83.4	-4.9	112.7	R98 L99 I100 D106 V109 P127 T251	R98-R102 WeakPolarHBondContact O-CD 3.46Å; R98-R102 PolarHBondContact O-NE 2.91Å; L99-R102 PolarHBondContact O-N 2.99Å; I100-R102 PolarHBondContact O-N 3.45Å; R102-D106 HydrophobicContact CB-CB 4.49Å; R102-D106 WeakPolarHBondContact CD-OD2 3.45Å; R102-D106 IonicContact CZ-OD2 2.68Å; R102-D106 IonicContact NE-OD2 3.27Å; R102-D106 IonicContact NH1-OD2 3.46Å; R102-D106 PolarHBondContact NH1-OD2 3.38Å; R102-V109 HydrophobicContact CB-CG2 3.65Å; R102-V109 HydrophobicContact CG-CG2 4.25Å; R102-P127 WeakPolarHBondContact O-CD 3.48Å; R102-T251 PolarHBondContact NH2-O 2.96Å; R102-T251 PolarHBondContact NH2-OG1 3.07Å
103	E	92.3	Very high	95.6	Very high	65 Å²	65	31.8 Å²	31.8	30%	0.304	17%	0.171	S	C	.	.			trans	-85.8	155.8	169.1	-66.2	-175	165.2	0	0	111.4	S105 D106 N531	E103-S105 PolarHBondContact O-N 3.26Å; E103-S105 PolarHBondContact OE2-OG 3.4Å; E103-D106 VanDerWaalsContact O-CB 3.28Å; E103-D106 WeakPolarHBondContact O-CB 3.21Å; E103-D106 PolarHBondContact O-N 2.98Å; E103-D106 VanDerWaalsContact O-N 3.16Å; E103-N531 PolarHBondContact OE1-ND2 2.85Å
104	W	95.2	Very high	95.5	Very high	54 Å²	54	39 Å²	39	21%	0.205	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-36.1	174.4	178.2	-109.9	0	0	0	112.1	D106 Q110 I113 V120 E122 S125 P127	W104-D106 VanDerWaalsContact C-N 3.26Å; W104-D106 PolarHBondContact O-N 3.3Å; W104-Q110 PolarHBondContact O-NE2 2.9Å; W104-I113 HydrophobicContact CH2-CD1 4.11Å; W104-V120 HydrophobicContact CZ3-CB 4.46Å; W104-V120 HydrophobicContact CZ3-CG1 3.95Å; W104-E122 HydrophobicContact CB-CG 3.92Å; W104-E122 HydrophobicContact CD2-CB 3.66Å; W104-E122 HydrophobicContact CD2-CG 4Å; W104-E122 HydrophobicContact CE3-CB 4.1Å; W104-E122 HydrophobicContact CG-CB 3.85Å; W104-E122 HydrophobicContact CG-CG 3.61Å; W104-E122 HydrophobicContact CZ2-CB 4.25Å; W104-E122 PolarHBondContact NE1-OE2 2.9Å; W104-S125 WeakPolarHBondContact CB-O 3.49Å; W104-S125 PolarHBondContact N-O 3.21Å; W104-P127 HydrophobicContact CE3-CB 4.11Å
105	S	94.1	Very high	95.3	Very high	81 Å²	81	41.9 Å²	41.9	57%	0.566	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-8.7	178.6	34.6	0	0	0	0	114.9	E103 T107	E103-S105 PolarHBondContact O-N 3.26Å; E103-S105 PolarHBondContact OE2-OG 3.4Å; S105-T107 PolarHBondContact O-N 3.26Å
106	D	91.4	Very high	95.3	Very high	39 Å²	39	42.6 Å²	42.6	21%	0.209	22%	0.218	C	C	.	.			trans	-59.1	128.4	178	-174.5	-30.6	0	0	0	110.1	R102 E103 W104 N108 V109 Q110	R102-D106 HydrophobicContact CB-CB 4.49Å; R102-D106 WeakPolarHBondContact CD-OD2 3.45Å; R102-D106 IonicContact CZ-OD2 2.68Å; R102-D106 IonicContact NE-OD2 3.27Å; R102-D106 IonicContact NH1-OD2 3.46Å; R102-D106 PolarHBondContact NH1-OD2 3.38Å; E103-D106 VanDerWaalsContact O-CB 3.28Å; E103-D106 WeakPolarHBondContact O-CB 3.21Å; E103-D106 PolarHBondContact O-N 2.98Å; E103-D106 VanDerWaalsContact O-N 3.16Å; W104-D106 VanDerWaalsContact C-N 3.26Å; W104-D106 PolarHBondContact O-N 3.3Å; D106-N108 PolarHBondContact O-N 2.92Å; D106-N108 WeakPolarHBondContact OD1-CB 3.32Å; D106-N108 PolarHBondContact OD1-N 3.46Å; D106-V109 HydrophobicContact CB-CB 4.18Å; D106-V109 HydrophobicContact CB-CG2 3.89Å; D106-V109 PolarHBondContact O-N 3.31Å; D106-V109 VanDerWaalsContact O-N 3.14Å; D106-Q110 WeakPolarHBondContact O-CG 3.32Å; D106-Q110 PolarHBondContact O-N 2.84Å
107	T	94.6	Very high	95.3	Very high	110 Å²	110	42.7 Å²	42.7	68%	0.675	22%	0.217	S	C	*	.	H	α-helix	trans	-59.7	-31.8	-179.2	50	0	0	0	0	112.9	S105 H111	S105-T107 PolarHBondContact O-N 3.26Å; T107-H111 WeakPolarHBondContact O-CB 3.3Å; T107-H111 PolarHBondContact O-N 3.17Å
108	N	93.8	Very high	95.3	Very high	44 Å²	44	42.4 Å²	42.4	24%	0.235	22%	0.216	C	C	.	.	H	α-helix	trans	-72.1	-40.9	177.8	-66.9	-12.4	0	0	0	110.7	D106 H111 D112 H252	D106-N108 PolarHBondContact O-N 2.92Å; D106-N108 WeakPolarHBondContact OD1-CB 3.32Å; D106-N108 PolarHBondContact OD1-N 3.46Å; N108-H111 WeakPolarHBondContact O-CB 3.17Å; N108-H111 PolarHBondContact O-N 3.21Å; N108-H111 VanDerWaalsContact O-N 3.16Å; N108-D112 PolarHBondContact O-N 2.88Å; N108-H252 WeakPolarHBondContact ND2-CB 3.41Å
109	V	96.3	Very high	95.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60	-50.2	172.7	172.9	0	0	0	0	110	L99 R102 D106 H111 D112 I113 P127	L99-V109 HydrophobicContact CD2-CG1 4.1Å; L99-V109 HydrophobicContact CD2-CG2 4.18Å; R102-V109 HydrophobicContact CB-CG2 3.65Å; R102-V109 HydrophobicContact CG-CG2 4.25Å; D106-V109 HydrophobicContact CB-CB 4.18Å; D106-V109 HydrophobicContact CB-CG2 3.89Å; D106-V109 PolarHBondContact O-N 3.31Å; D106-V109 VanDerWaalsContact O-N 3.14Å; V109-H111 PolarHBondContact O-N 2.86Å; V109-H111 VanDerWaalsContact O-N 3.17Å; V109-D112 PolarHBondContact O-N 3.34Å; V109-D112 VanDerWaalsContact O-N 3.17Å; V109-I113 HydrophobicContact CG1-CG2 4.21Å; V109-I113 WeakPolarHBondContact O-CG1 3.37Å; V109-I113 WeakPolarHBondContact O-CG2 3.14Å; V109-I113 PolarHBondContact O-N 2.9Å; V109-P127 HydrophobicContact CG1-CB 3.92Å; V109-P127 HydrophobicContact CG1-CG 4.13Å; V109-P127 HydrophobicContact CG2-CG 4.34Å
110	Q	97.7	Very high	95.4	Very high	61 Å²	61	49.3 Å²	49.3	29%	0.285	25%	0.248	S	C	.	.	H	α-helix	trans	-63.6	-21.9	178.5	-67.2	-60.4	-48.5	0	0	113.7	W104 D106 K114	W104-Q110 PolarHBondContact O-NE2 2.9Å; D106-Q110 WeakPolarHBondContact O-CG 3.32Å; D106-Q110 PolarHBondContact O-N 2.84Å; Q110-K114 WeakPolarHBondContact O-CE 3.29Å; Q110-K114 PolarHBondContact O-NZ 2.7Å
111	H	96.2	Very high	95.5	Very high	86 Å²	86	50.9 Å²	50.9	40%	0.398	26%	0.258	S	S	.	.	H	α-helix	trans	-76.6	-53	171.5	-173	81.4	0	0	0	110.8	T107 N108 V109 I113 K114 F115	T107-H111 WeakPolarHBondContact O-CB 3.3Å; T107-H111 PolarHBondContact O-N 3.17Å; N108-H111 WeakPolarHBondContact O-CB 3.17Å; N108-H111 PolarHBondContact O-N 3.21Å; N108-H111 VanDerWaalsContact O-N 3.16Å; V109-H111 PolarHBondContact O-N 2.86Å; V109-H111 VanDerWaalsContact O-N 3.17Å; H111-I113 PolarHBondContact O-N 2.86Å; H111-K114 WeakPolarHBondContact O-CB 3.18Å; H111-K114 PolarHBondContact O-N 2.97Å; H111-F115 AromaticContact CD2-CE2 3.72Å; H111-F115 AromaticContact CE1-CE2 3.74Å; H111-F115 AromaticContact NE2-CE2 3.42Å; H111-F115 WeakPolarHBondContact NE2-CE2 3.4Å; H111-F115 VanDerWaalsContact O-CD2 3.29Å; H111-F115 WeakPolarHBondContact O-CD2 3.4Å; H111-F115 WeakPolarHBondContact O-CE2 3.49Å
112	D	96.4	Very high	95.8	Very high	11 Å²	11	55.3 Å²	55.3	6%	0.059	27%	0.274	C	S	.	.	H	α-helix	trans	-64.6	-40.3	-172.9	-71.3	-11.1	0	0	0	113.3	N108 V109 K114 F115 F116 H252	N108-D112 PolarHBondContact O-N 2.88Å; V109-D112 PolarHBondContact O-N 3.34Å; V109-D112 VanDerWaalsContact O-N 3.17Å; D112-K114 PolarHBondContact O-N 3.45Å; D112-F115 PolarHBondContact O-N 3.34Å; D112-F116 HydrophobicContact CB-CD2 4.48Å; D112-F116 HydrophobicContact CB-CE2 3.66Å; D112-F116 HydrophobicContact CB-CZ 3.74Å; D112-F116 PolarHBondContact O-N 2.87Å; D112-H252 IonicContact OD1-CD2 3.82Å; D112-H252 IonicContact OD1-CE1 2.78Å; D112-H252 PolarHBondContact OD1-CE1 2.9Å; D112-H252 VanDerWaalsContact OD1-CE1 3.3Å; D112-H252 IonicContact OD1-NE2 3.77Å; D112-H252 PolarHBondContact OD1-NE2 2.92Å; D112-H252 IonicContact OD2-CD2 3.46Å; D112-H252 PolarHBondContact OD2-CD2 3.29Å; D112-H252 IonicContact OD2-NE2 3.1Å; D112-H252 PolarHBondContact OD2-NE2 3.37Å
113	I	96.5	Very high	95.8	Very high	42 Å²	42	58.3 Å²	58.3	22%	0.215	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-16.5	-179.9	64.5	175.8	0	0	0	113.8	W104 V109 H111 F115 V120	W104-I113 HydrophobicContact CH2-CD1 4.11Å; V109-I113 HydrophobicContact CG1-CG2 4.21Å; V109-I113 WeakPolarHBondContact O-CG1 3.37Å; V109-I113 WeakPolarHBondContact O-CG2 3.14Å; V109-I113 PolarHBondContact O-N 2.9Å; H111-I113 PolarHBondContact O-N 2.86Å; I113-F115 VanDerWaalsContact C-N 3.3Å; I113-V120 HydrophobicContact CG2-CB 3.69Å; I113-V120 HydrophobicContact CG2-CG1 4Å; I113-V120 HydrophobicContact CG2-CG2 3.86Å
114	K	95.4	Very high	95.6	Very high	152 Å²	152	61 Å²	61	66%	0.661	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-16.6	176.1	-63.3	169	-178.1	154.2	0	113	Q110 H111 D112	Q110-K114 WeakPolarHBondContact O-CE 3.29Å; Q110-K114 PolarHBondContact O-NZ 2.7Å; H111-K114 WeakPolarHBondContact O-CB 3.18Å; H111-K114 PolarHBondContact O-N 2.97Å; D112-K114 PolarHBondContact O-N 3.45Å
115	F	95.1	Very high	95.3	Very high	61 Å²	61	61.5 Å²	61.5	27%	0.268	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-12	-174.7	-55.8	-71.9	0	0	0	113.2	H111 D112 I113 Q260	H111-F115 AromaticContact CD2-CE2 3.72Å; H111-F115 AromaticContact CE1-CE2 3.74Å; H111-F115 AromaticContact NE2-CE2 3.42Å; H111-F115 WeakPolarHBondContact NE2-CE2 3.4Å; H111-F115 VanDerWaalsContact O-CD2 3.29Å; H111-F115 WeakPolarHBondContact O-CD2 3.4Å; H111-F115 WeakPolarHBondContact O-CE2 3.49Å; D112-F115 PolarHBondContact O-N 3.34Å; I113-F115 VanDerWaalsContact C-N 3.3Å; F115-Q260 VanDerWaalsContact CD1-CD 3.5Å; F115-Q260 HydrophobicContact CD1-CG 4.19Å; F115-Q260 HydrophobicContact CE1-CG 4.25Å; F115-Q260 HydrophobicContact CG-CG 4.49Å
116	F	97.1	Very high	95.3	Very high	22 Å²	22	58.4 Å²	58.4	10%	0.096	29%	0.292	C	S	.	.			trans	-75.9	138.2	174.6	-63.6	-37.2	0	0	0	112	F94 D95 L99 D112 F118 V120	F94-F116 HydrophobicContact CE2-CD1 4.35Å; D95-F116 HydrophobicContact CB-CE1 3.86Å; D95-F116 HydrophobicContact CB-CZ 4.06Å; L99-F116 HydrophobicContact CD1-CE2 4.14Å; L99-F116 HydrophobicContact CD2-CE2 4.15Å; L99-F116 HydrophobicContact CG-CE2 4.27Å; D112-F116 HydrophobicContact CB-CD2 4.48Å; D112-F116 HydrophobicContact CB-CE2 3.66Å; D112-F116 HydrophobicContact CB-CZ 3.74Å; D112-F116 PolarHBondContact O-N 2.87Å; F116-F118 HydrophobicContact CB-CD1 4.23Å; F116-F118 HydrophobicContact CB-CD2 4.11Å; F116-F118 HydrophobicContact CB-CE1 3.94Å; F116-F118 HydrophobicContact CB-CE2 3.81Å; F116-F118 HydrophobicContact CB-CG 4.33Å; F116-F118 HydrophobicContact CB-CZ 3.72Å; F116-F118 AromaticContact CD1-CE1 3.94Å; F116-F118 HydrophobicContact CD1-CE1 3.94Å; F116-F118 HydrophobicContact CD1-CE2 4.38Å; F116-F118 AromaticContact CD1-CZ 3.6Å; F116-F118 HydrophobicContact CD1-CZ 3.6Å; F116-F118 AromaticContact CD2-CE2 3.66Å; F116-F118 HydrophobicContact CD2-CE2 3.66Å; F116-F118 AromaticContact CD2-CZ 3.68Å; F116-F118 HydrophobicContact CD2-CZ 3.68Å; F116-F118 HydrophobicContact CE1-CZ 4.09Å; F116-F118 HydrophobicContact CE2-CE2 4.3Å; F116-F118 HydrophobicContact CE2-CZ 4.15Å; F116-F118 HydrophobicContact CG-CD2 4.49Å; F116-F118 AromaticContact CG-CE1 3.94Å; F116-F118 HydrophobicContact CG-CE1 3.94Å; F116-F118 AromaticContact CG-CE2 3.71Å; F116-F118 HydrophobicContact CG-CE2 3.71Å; F116-F118 AromaticContact CG-CZ 3.38Å; F116-F118 HydrophobicContact CG-CZ 3.38Å; F116-F118 HydrophobicContact CZ-CZ 4.34Å; F116-V120 HydrophobicContact CD2-CG2 4.14Å
117	P	97.2	Very high	95.6	Very high	10 Å²	10	56.6 Å²	56.6	7%	0.065	28%	0.283	C	S	.	.	S	Bend	trans	-77.9	-25.5	172.9	31.4	-34.2	0	0	0	112.6	P89 F94 Q286	P89-P117 HydrophobicContact CB-CB 3.89Å; P89-P117 HydrophobicContact CB-CG 4.41Å; P89-P117 WeakPolarHBondContact O-CB 3.43Å; P89-P117 VanDerWaalsContact O-CG 3.23Å; P89-P117 WeakPolarHBondContact O-CG 3.3Å; F94-P117 HydrophobicContact CE1-CG 3.8Å; F94-P117 HydrophobicContact CZ-CG 4.12Å; P117-Q286 HydrophobicContact CB-CG 4.46Å; P117-Q286 HydrophobicContact CG-CG 4.4Å
118	F	97.7	Very high	95.7	Very high	6 Å²	6	51.8 Å²	51.8	3%	0.026	25%	0.253	C	S	.	.	S	Bend	trans	-85.2	154.6	176.9	53.4	-96.3	0	0	0	111.1	E90 T92 V93 F94 F116 V120 I129	E90-F118 WeakPolarHBondContact O-CA 3.42Å; E90-F118 VanDerWaalsContact O-CB 3.24Å; E90-F118 WeakPolarHBondContact O-CB 3.47Å; T92-F118 VanDerWaalsContact O-CD1 3.25Å; T92-F118 WeakPolarHBondContact O-CD1 3.43Å; V93-F118 HydrophobicContact CG1-CE1 4.32Å; V93-F118 HydrophobicContact CG1-CE2 4.27Å; V93-F118 HydrophobicContact CG1-CZ 4.15Å; F94-F118 HydrophobicContact CD1-CD1 4.46Å; F94-F118 AromaticContact CD1-CE1 3.95Å; F94-F118 HydrophobicContact CD1-CE1 3.95Å; F94-F118 HydrophobicContact CE1-CD1 4.29Å; F94-F118 AromaticContact CE1-CE1 3.93Å; F94-F118 HydrophobicContact CE1-CE1 3.93Å; F94-F118 HydrophobicContact CG-CE1 4.35Å; F94-F118 HydrophobicContact CZ-CE1 4.31Å; F94-F118 WeakPolarHBondContact O-CZ 3.36Å; F116-F118 HydrophobicContact CB-CD1 4.23Å; F116-F118 HydrophobicContact CB-CD2 4.11Å; F116-F118 HydrophobicContact CB-CE1 3.94Å; F116-F118 HydrophobicContact CB-CE2 3.81Å; F116-F118 HydrophobicContact CB-CG 4.33Å; F116-F118 HydrophobicContact CB-CZ 3.72Å; F116-F118 AromaticContact CD1-CE1 3.94Å; F116-F118 HydrophobicContact CD1-CE1 3.94Å; F116-F118 HydrophobicContact CD1-CE2 4.38Å; F116-F118 AromaticContact CD1-CZ 3.6Å; F116-F118 HydrophobicContact CD1-CZ 3.6Å; F116-F118 AromaticContact CD2-CE2 3.66Å; F116-F118 HydrophobicContact CD2-CE2 3.66Å; F116-F118 AromaticContact CD2-CZ 3.68Å; F116-F118 HydrophobicContact CD2-CZ 3.68Å; F116-F118 HydrophobicContact CE1-CZ 4.09Å; F116-F118 HydrophobicContact CE2-CE2 4.3Å; F116-F118 HydrophobicContact CE2-CZ 4.15Å; F116-F118 HydrophobicContact CG-CD2 4.49Å; F116-F118 AromaticContact CG-CE1 3.94Å; F116-F118 HydrophobicContact CG-CE1 3.94Å; F116-F118 AromaticContact CG-CE2 3.71Å; F116-F118 HydrophobicContact CG-CE2 3.71Å; F116-F118 AromaticContact CG-CZ 3.38Å; F116-F118 HydrophobicContact CG-CZ 3.38Å; F116-F118 HydrophobicContact CZ-CZ 4.34Å; F118-V120 HydrophobicContact CD2-CG2 3.96Å; F118-V120 HydrophobicContact CE2-CG2 3.83Å; F118-I129 HydrophobicContact CD2-CG2 3.76Å; F118-I129 HydrophobicContact CE2-CG1 4.36Å; F118-I129 HydrophobicContact CE2-CG2 4.33Å; F118-I129 HydrophobicContact CG-CG2 4.4Å
119	K	97.7	Very high	95.9	Very high	134 Å²	134	49.7 Å²	49.7	58%	0.583	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	128.6	-176.9	-173.5	-178.6	-180	-175.2	0	110.9	V121 S130	K119-V121 HydrophobicContact CD-CG1 4.11Å; K119-V121 HydrophobicContact CG-CG1 4.03Å; K119-S130 PolarHBondContact O-N 3.02Å
120	V	98.3	Very high	96	Very high	18 Å²	18	50.6 Å²	50.6	11%	0.109	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	131.8	169.3	-167.5	0	0	0	0	108.9	L99 W104 I113 F116 F118 P127 H128	L99-V120 HydrophobicContact CD1-CG1 4.42Å; L99-V120 HydrophobicContact CD1-CG2 4.26Å; W104-V120 HydrophobicContact CZ3-CB 4.46Å; W104-V120 HydrophobicContact CZ3-CG1 3.95Å; I113-V120 HydrophobicContact CG2-CB 3.69Å; I113-V120 HydrophobicContact CG2-CG1 4Å; I113-V120 HydrophobicContact CG2-CG2 3.86Å; F116-V120 HydrophobicContact CD2-CG2 4.14Å; F118-V120 HydrophobicContact CD2-CG2 3.96Å; F118-V120 HydrophobicContact CE2-CG2 3.83Å; V120-P127 HydrophobicContact CG1-CB 3.66Å; V120-H128 CarbonylContact C-O 3.56Å; V120-H128 VanDerWaalsContact CA-O 3.28Å; V120-H128 WeakPolarHBondContact CA-O 3.24Å; V120-H128 VanDerWaalsContact CG1-O 3.3Å; V120-H128 WeakPolarHBondContact CG1-O 3.42Å
121	V	97.8	Very high	96	Very high	34 Å²	34	47.8 Å²	47.8	21%	0.206	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	151.9	-177.1	-62.9	0	0	0	0	110.8	K119 H128 V139	K119-V121 HydrophobicContact CD-CG1 4.11Å; K119-V121 HydrophobicContact CG-CG1 4.03Å; V121-H128 HydrophobicContact CG2-CB 4.18Å; V121-H128 PolarHBondContact N-O 3.46Å; V121-H128 PolarHBondContact O-N 2.93Å; V121-V139 HydrophobicContact CG2-CG1 3.85Å; V121-V139 HydrophobicContact CG2-CG2 4.48Å
122	E	97.2	Very high	95.9	Very high	108 Å²	108	48.2 Å²	48.2	51%	0.505	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	129.7	172.7	-172.7	175.9	-167.2	0	0	110.5	W104	W104-E122 HydrophobicContact CB-CG 3.92Å; W104-E122 HydrophobicContact CD2-CB 3.66Å; W104-E122 HydrophobicContact CD2-CG 4Å; W104-E122 HydrophobicContact CE3-CB 4.1Å; W104-E122 HydrophobicContact CG-CB 3.85Å; W104-E122 HydrophobicContact CG-CG 3.61Å; W104-E122 HydrophobicContact CZ2-CB 4.25Å; W104-E122 PolarHBondContact NE1-OE2 2.9Å
123	K	93.4	Very high	95.5	Very high	87 Å²	87	48.7 Å²	48.7	38%	0.378	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	124.7	167.9	-178.8	-176.4	177.7	-169.7	0	108.4	S125 K126 H128 V139	K123-S125 VanDerWaalsContact C-N 3.29Å; K123-S125 PolarHBondContact O-N 3.1Å; K123-K126 PolarHBondContact N-O 3.45Å; K123-K126 PolarHBondContact O-N 2.99Å; K123-H128 PolarHBondContact O-CE1 3.43Å; K123-V139 HydrophobicContact CD-CG1 4.47Å
124	N	88.1	Confident	95	Very high	121 Å²	121	50 Å²	50	65%	0.647	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	47	-174.9	-57.6	-18.6	0	0	0	112.5	K126	N124-K126 PolarHBondContact O-N 2.82Å
125	S	90.3	Very high	94.4	Very high	64 Å²	64	47.1 Å²	47.1	45%	0.448	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	17.1	-177.9	-58.9	0	0	0	0	115.5	W104 K123	W104-S125 WeakPolarHBondContact CB-O 3.49Å; W104-S125 PolarHBondContact N-O 3.21Å; K123-S125 VanDerWaalsContact C-N 3.29Å; K123-S125 PolarHBondContact O-N 3.1Å
126	K	93.1	Very high	94.2	Very high	16 Å²	16	45.9 Å²	45.9	7%	0.07	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	150	175.6	-69.8	-174	174	-166.9	0	112.6	K123 N124 H128 E143 N531	K123-K126 PolarHBondContact N-O 3.45Å; K123-K126 PolarHBondContact O-N 2.99Å; N124-K126 PolarHBondContact O-N 2.82Å; K126-H128 PolarHBondContact O-N 3.36Å; K126-H128 PolarHBondContact O-ND1 2.93Å; K126-E143 IonicContact NZ-OE1 2.96Å; K126-E143 PolarHBondContact NZ-OE1 2.72Å; K126-N531 VanDerWaalsContact CE-CA 3.5Å; K126-N531 WeakPolarHBondContact CE-O 3.29Å; K126-N531 VanDerWaalsContact NZ-C 3.26Å; K126-N531 PolarHBondContact NZ-O 2.75Å
127	P	97.2	Very high	93.9	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.013	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	127.3	168	30.7	-32	0	0	0	110.4	L99 R102 W104 V109 V120 P142	L99-P127 HydrophobicContact CB-CG 4.36Å; L99-P127 HydrophobicContact CD2-CB 4.37Å; L99-P127 HydrophobicContact CD2-CG 4.45Å; R102-P127 WeakPolarHBondContact O-CD 3.48Å; W104-P127 HydrophobicContact CE3-CB 4.11Å; V109-P127 HydrophobicContact CG1-CB 3.92Å; V109-P127 HydrophobicContact CG1-CG 4.13Å; V109-P127 HydrophobicContact CG2-CG 4.34Å; V120-P127 HydrophobicContact CG1-CB 3.66Å; P127-P142 VanDerWaalsContact O-CD 3.23Å; P127-P142 WeakPolarHBondContact O-CD 3.33Å; P127-P142 WeakPolarHBondContact O-CG 3.29Å
128	H	97.9	Very high	93.8	Very high	9 Å²	9	49.8 Å²	49.8	4%	0.042	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	150.2	168.3	-74.1	61.8	0	0	0	109.6	V120 V121 K123 K126 V139 F140	V120-H128 CarbonylContact C-O 3.56Å; V120-H128 VanDerWaalsContact CA-O 3.28Å; V120-H128 WeakPolarHBondContact CA-O 3.24Å; V120-H128 VanDerWaalsContact CG1-O 3.3Å; V120-H128 WeakPolarHBondContact CG1-O 3.42Å; V121-H128 HydrophobicContact CG2-CB 4.18Å; V121-H128 PolarHBondContact N-O 3.46Å; V121-H128 PolarHBondContact O-N 2.93Å; K123-H128 PolarHBondContact O-CE1 3.43Å; K126-H128 PolarHBondContact O-N 3.36Å; K126-H128 PolarHBondContact O-ND1 2.93Å; H128-V139 HydrophobicContact CB-CG1 3.49Å; H128-V139 VanDerWaalsContact CB-CG1 3.49Å; H128-F140 CarbonylContact C-O 3.54Å; H128-F140 WeakPolarHBondContact CA-O 3.45Å; H128-F140 WeakPolarHBondContact CB-O 3.36Å
129	I	98.4	Very high	93.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	123.9	-179	-56	87.8	0	0	0	109	V93 L99 F118 V131 V139 F140 P142 I145	V93-I129 HydrophobicContact CG1-CG1 4.22Å; V93-I129 HydrophobicContact CG1-CG2 4.07Å; V93-I129 HydrophobicContact CG2-CG2 3.71Å; L99-I129 HydrophobicContact CD1-CD1 4.15Å; L99-I129 HydrophobicContact CD1-CG1 4.18Å; F118-I129 HydrophobicContact CD2-CG2 3.76Å; F118-I129 HydrophobicContact CE2-CG1 4.36Å; F118-I129 HydrophobicContact CE2-CG2 4.33Å; F118-I129 HydrophobicContact CG-CG2 4.4Å; I129-V131 HydrophobicContact CG2-CG1 4.07Å; I129-V139 CarbonylContact O-C 3.53Å; I129-V139 WeakPolarHBondContact O-CA 3.38Å; I129-F140 PolarHBondContact N-O 3.34Å; I129-F140 PolarHBondContact O-N 2.78Å; I129-P142 HydrophobicContact CD1-CB 4.32Å; I129-P142 HydrophobicContact CD1-CG 3.9Å; I129-I145 HydrophobicContact CD1-CG1 4.14Å
130	S	97.8	Very high	93.7	Very high	19 Å²	19	46.2 Å²	46.2	13%	0.133	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	122.9	175.9	-175.7	0	0	0	0	109.4	K119 K138	K119-S130 PolarHBondContact O-N 3.02Å; S130-K138 WeakPolarHBondContact CA-O 3.39Å
131	V	96.6	Very high	93.6	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.012	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	147.5	178.2	-65.3	0	0	0	0	110.2	F69 V93 I129 T133 A137 K138 F140	F69-V131 HydrophobicContact CD2-CB 4.13Å; F69-V131 HydrophobicContact CD2-CG1 4.34Å; F69-V131 HydrophobicContact CD2-CG2 3.59Å; F69-V131 HydrophobicContact CE2-CG2 3.78Å; F69-V131 HydrophobicContact CG-CG2 4.22Å; V93-V131 HydrophobicContact CG2-CG1 3.76Å; I129-V131 HydrophobicContact CG2-CG1 4.07Å; V131-T133 HydrophobicContact CG2-CG2 4.12Å; V131-A137 WeakPolarHBondContact O-CA 3.46Å; V131-K138 PolarHBondContact N-O 3.39Å; V131-K138 PolarHBondContact O-N 2.88Å; V131-F140 HydrophobicContact CG2-CD2 3.74Å; V131-F140 HydrophobicContact CG2-CE2 3.55Å
132	D	94.9	Very high	93.6	Very high	95 Å²	95	43.9 Å²	43.9	51%	0.508	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	124.4	171.7	-68	-38.2	0	0	0	109.4	N91	N91-D132 PolarHBondContact OD1-N 3.43Å; N91-D132 PolarHBondContact OD1-O 3.45Å
133	T	88.7	Confident	93.6	Very high	20 Å²	20	38.9 Å²	38.9	12%	0.123	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	167.5	175.3	73.7	0	0	0	0	109.5	F69 V131 Q135 G136 K138	F69-T133 HydrophobicContact CB-CG2 4.08Å; F69-T133 HydrophobicContact CD1-CG2 3.84Å; F69-T133 HydrophobicContact CE1-CG2 4.48Å; F69-T133 HydrophobicContact CG-CG2 3.96Å; V131-T133 HydrophobicContact CG2-CG2 4.12Å; T133-Q135 PolarHBondContact O-N 3.2Å; T133-Q135 PolarHBondContact OG1-N 3.06Å; T133-G136 PolarHBondContact N-O 3.21Å; T133-G136 PolarHBondContact O-N 3.41Å; T133-G136 PolarHBondContact OG1-O 3.21Å; T133-K138 HydrophobicContact CG2-CB 4.16Å; T133-K138 HydrophobicContact CG2-CD 4.06Å; T133-K138 HydrophobicContact CG2-CG 4.05Å
134	S	85	Confident	93.8	Very high	69 Å²	69	35.5 Å²	35.5	48%	0.483	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-21.2	172	63.2	0	0	0	0	113.5	G73 G136	G73-S134 VanDerWaalsContact CA-CB 3.48Å; G73-S134 WeakPolarHBondContact CA-OG 3.47Å; S134-G136 VanDerWaalsContact C-N 3.35Å
135	Q	83.2	Confident	94.3	Very high	92 Å²	92	29.9 Å²	29.9	43%	0.43	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	7.7	176.7	-61.5	177.3	0.3	0	0	112.9	T133 E551	T133-Q135 PolarHBondContact O-N 3.2Å; T133-Q135 PolarHBondContact OG1-N 3.06Å; Q135-E551 PolarHBondContact NE2-OE1 2.86Å
136	G	89.8	Confident	94.7	Very high	35 Å²	35	27 Å²	27	36%	0.361	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	99.8	-175.8	-173.6	0	0	0	0	0	113.2	T133 S134 K138	T133-G136 PolarHBondContact N-O 3.21Å; T133-G136 PolarHBondContact O-N 3.41Å; T133-G136 PolarHBondContact OG1-O 3.21Å; S134-G136 VanDerWaalsContact C-N 3.35Å; G136-K138 PolarHBondContact O-N 3.38Å
137	A	92.8	Very high	95	Very high	70 Å²	70	26.5 Å²	26.5	58%	0.579	16%	0.164	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65.6	123.2	178.4	0	0	0	0	0	110.9	V131	V131-A137 WeakPolarHBondContact O-CA 3.46Å
138	K	93.7	Very high	95	Very high	45 Å²	45	27 Å²	27	20%	0.196	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	146.6	173.6	-69.6	-167.1	-179.2	-179.7	0	110.4	S130 V131 T133 G136 F140 F548	S130-K138 WeakPolarHBondContact CA-O 3.39Å; V131-K138 PolarHBondContact N-O 3.39Å; V131-K138 PolarHBondContact O-N 2.88Å; T133-K138 HydrophobicContact CG2-CB 4.16Å; T133-K138 HydrophobicContact CG2-CD 4.06Å; T133-K138 HydrophobicContact CG2-CG 4.05Å; G136-K138 PolarHBondContact O-N 3.38Å; K138-F140 HydrophobicContact CB-CD2 4.31Å; K138-F140 HydrophobicContact CB-CE2 3.66Å; K138-F140 HydrophobicContact CB-CZ 3.88Å; K138-F140 HydrophobicContact CD-CE1 4.5Å; K138-F140 HydrophobicContact CD-CE2 4.33Å; K138-F140 HydrophobicContact CD-CZ 3.76Å; K138-F140 HydrophobicContact CG-CZ 4.48Å; K138-F548 HydrophobicContact CD-CZ 4.11Å
139	V	96.6	Very high	95.1	Very high	58 Å²	58	26.8 Å²	26.8	35%	0.352	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	108.4	179	179.1	0	0	0	0	108.1	V121 K123 H128 I129	V121-V139 HydrophobicContact CG2-CG1 3.85Å; V121-V139 HydrophobicContact CG2-CG2 4.48Å; K123-V139 HydrophobicContact CD-CG1 4.47Å; H128-V139 HydrophobicContact CB-CG1 3.49Å; H128-V139 VanDerWaalsContact CB-CG1 3.49Å; I129-V139 CarbonylContact O-C 3.53Å; I129-V139 WeakPolarHBondContact O-CA 3.38Å
140	F	96.9	Very high	95.1	Very high	6 Å²	6	26.8 Å²	26.8	3%	0.026	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	139.5	-178.3	-65.5	-72.8	0	0	0	111.3	F69 H128 I129 V131 K138 E144 I145 M148 F548	F69-F140 AromaticContact CE1-CE2 3.97Å; F69-F140 HydrophobicContact CE1-CE2 3.97Å; F69-F140 AromaticContact CE1-CZ 3.95Å; F69-F140 HydrophobicContact CE1-CZ 3.95Å; F69-F140 HydrophobicContact CE2-CD2 4.26Å; F69-F140 AromaticContact CE2-CE2 3.79Å; F69-F140 HydrophobicContact CE2-CE2 3.79Å; F69-F140 HydrophobicContact CZ-CD2 4.15Å; F69-F140 AromaticContact CZ-CE2 3.41Å; F69-F140 HydrophobicContact CZ-CE2 3.41Å; F69-F140 VanDerWaalsContact CZ-CE2 3.41Å; F69-F140 AromaticContact CZ-CZ 3.69Å; F69-F140 HydrophobicContact CZ-CZ 3.69Å; H128-F140 CarbonylContact C-O 3.54Å; H128-F140 WeakPolarHBondContact CA-O 3.45Å; H128-F140 WeakPolarHBondContact CB-O 3.36Å; I129-F140 PolarHBondContact N-O 3.34Å; I129-F140 PolarHBondContact O-N 2.78Å; V131-F140 HydrophobicContact CG2-CD2 3.74Å; V131-F140 HydrophobicContact CG2-CE2 3.55Å; K138-F140 HydrophobicContact CB-CD2 4.31Å; K138-F140 HydrophobicContact CB-CE2 3.66Å; K138-F140 HydrophobicContact CB-CZ 3.88Å; K138-F140 HydrophobicContact CD-CE1 4.5Å; K138-F140 HydrophobicContact CD-CE2 4.33Å; K138-F140 HydrophobicContact CD-CZ 3.76Å; K138-F140 HydrophobicContact CG-CZ 4.48Å; F140-E144 WeakPolarHBondContact CA-OE2 3.35Å; F140-E144 HydrophobicContact CB-CB 4.32Å; F140-E144 HydrophobicContact CD1-CB 4.11Å; F140-I145 HydrophobicContact CB-CD1 3.84Å; F140-I145 HydrophobicContact CB-CG1 4.12Å; F140-I145 HydrophobicContact CD2-CD1 4.18Å; F140-I145 HydrophobicContact CG-CD1 4.09Å; F140-M148 HydrophobicContact CD1-CE 3.96Å; F140-M148 HydrophobicContact CE1-CE 3.78Å; F140-M148 HydrophobicContact CZ-CE 4.19Å; F140-F548 AromaticContact CE1-CE2 3.88Å; F140-F548 HydrophobicContact CE1-CE2 3.88Å; F140-F548 HydrophobicContact CE1-CZ 4.05Å; F140-F548 HydrophobicContact CZ-CE2 4.08Å; F140-F548 AromaticContact CZ-CZ 3.78Å; F140-F548 HydrophobicContact CZ-CZ 3.78Å
141	A	97.1	Very high	95	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	17%	0.167	C	C	.	.			trans	-69.5	151	163.6	0	0	0	0	0	110	E143 E144 I145 M541	A141-E143 WeakPolarHBondContact CB-OE2 3.13Å; A141-E143 PolarHBondContact O-N 3.48Å; A141-E144 HydrophobicContact CB-CG 4.37Å; A141-E144 PolarHBondContact N-OE2 3.49Å; A141-E144 WeakPolarHBondContact O-CB 3.41Å; A141-E144 PolarHBondContact O-N 3.36Å; A141-I145 PolarHBondContact O-N 3.35Å; A141-M541 HydrophobicContact CB-CE 3.85Å
142	P	97.7	Very high	95.1	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.019	17%	0.172	C	C	.	.	H	α-helix	trans	-52.9	-34.8	172.7	-26.9	34.8	0	0	0	113.1	L99 I100 P127 I129 E144 I145 S146	L99-P142 HydrophobicContact CB-CB 4.22Å; L99-P142 HydrophobicContact CB-CG 3.83Å; I100-P142 HydrophobicContact CB-CB 4.1Å; I100-P142 HydrophobicContact CG1-CB 4.32Å; P127-P142 VanDerWaalsContact O-CD 3.23Å; P127-P142 WeakPolarHBondContact O-CD 3.33Å; P127-P142 WeakPolarHBondContact O-CG 3.29Å; I129-P142 HydrophobicContact CD1-CB 4.32Å; I129-P142 HydrophobicContact CD1-CG 3.9Å; P142-E144 VanDerWaalsContact C-N 3.31Å; P142-E144 PolarHBondContact O-N 3.22Å; P142-I145 PolarHBondContact O-N 2.97Å; P142-S146 PolarHBondContact O-N 3.45Å; P142-S146 PolarHBondContact O-OG 3.23Å
143	E	97.5	Very high	95.3	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.019	15%	0.148	C	C	.	.	H	α-helix	trans	-57.5	-40.7	174.8	-63.4	90.6	147.1	0	0	112	I100 K126 A141 A147 A183 A187 I190 L533	I100-E143 HydrophobicContact CG1-CG 4.33Å; K126-E143 IonicContact NZ-OE1 2.96Å; K126-E143 PolarHBondContact NZ-OE1 2.72Å; A141-E143 WeakPolarHBondContact CB-OE2 3.13Å; A141-E143 PolarHBondContact O-N 3.48Å; E143-A147 VanDerWaalsContact O-CB 3.26Å; E143-A147 WeakPolarHBondContact O-CB 2.86Å; E143-A147 PolarHBondContact O-N 2.93Å; E143-A183 HydrophobicContact CG-CB 3.82Å; E143-A183 WeakPolarHBondContact CG-O 3.42Å; E143-A187 HydrophobicContact CB-CB 4.45Å; E143-A187 VanDerWaalsContact O-CB 3.29Å; E143-A187 WeakPolarHBondContact O-CB 3.47Å; E143-I190 HydrophobicContact CB-CD1 4.11Å; E143-L533 HydrophobicContact CB-CD1 3.83Å; E143-L533 HydrophobicContact CG-CD1 3.86Å
144	E	97.6	Very high	95.7	Very high	16 Å²	16	23.7 Å²	23.7	8%	0.075	15%	0.148	C	C	.	.	H	α-helix	trans	-68.8	-41.4	177.2	-64.2	175	90.8	0	0	111.4	F140 A141 P142 A147 M148 M541	F140-E144 WeakPolarHBondContact CA-OE2 3.35Å; F140-E144 HydrophobicContact CB-CB 4.32Å; F140-E144 HydrophobicContact CD1-CB 4.11Å; A141-E144 HydrophobicContact CB-CG 4.37Å; A141-E144 PolarHBondContact N-OE2 3.49Å; A141-E144 WeakPolarHBondContact O-CB 3.41Å; A141-E144 PolarHBondContact O-N 3.36Å; P142-E144 VanDerWaalsContact C-N 3.31Å; P142-E144 PolarHBondContact O-N 3.22Å; E144-A147 WeakPolarHBondContact O-CB 3.39Å; E144-A147 PolarHBondContact O-N 3.38Å; E144-M148 VanDerWaalsContact O-CG 3.31Å; E144-M148 WeakPolarHBondContact O-CG 3.43Å; E144-M148 PolarHBondContact O-N 2.94Å; E144-M541 HydrophobicContact CG-CB 4.17Å; E144-M541 HydrophobicContact CG-CE 3.99Å; E144-M541 HydrophobicContact CG-CG 3.73Å; E144-M541 HydrophobicContact CG-SD 3.56Å; E144-M541 VanDerWaalsContact CG-SD 3.56Å; E144-M541 WeakPolarHBondContact OE2-CE 3.36Å
145	I	98.3	Very high	96.2	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.015	14%	0.142	C	C	.	.	H	α-helix	trans	-64.1	-44.6	176.6	-58.6	-60.4	0	0	0	110.6	V67 V93 A96 I129 F140 A141 P142 A147 M148 V149	V67-I145 HydrophobicContact CB-CG2 4.32Å; V67-I145 HydrophobicContact CG2-CG2 3.98Å; V93-I145 HydrophobicContact CB-CG2 4.32Å; V93-I145 HydrophobicContact CG1-CG1 4.35Å; V93-I145 HydrophobicContact CG1-CG2 3.91Å; V93-I145 HydrophobicContact CG2-CD1 4.41Å; A96-I145 HydrophobicContact CB-CB 4.1Å; A96-I145 HydrophobicContact CB-CG2 3.68Å; I129-I145 HydrophobicContact CD1-CG1 4.14Å; F140-I145 HydrophobicContact CB-CD1 3.84Å; F140-I145 HydrophobicContact CB-CG1 4.12Å; F140-I145 HydrophobicContact CD2-CD1 4.18Å; F140-I145 HydrophobicContact CG-CD1 4.09Å; A141-I145 PolarHBondContact O-N 3.35Å; P142-I145 PolarHBondContact O-N 2.97Å; I145-A147 VanDerWaalsContact C-N 3.31Å; I145-A147 PolarHBondContact O-N 2.86Å; I145-M148 HydrophobicContact CD1-CE 4.45Å; I145-M148 HydrophobicContact CD1-SD 4.36Å; I145-M148 WeakPolarHBondContact O-CB 3.29Å; I145-M148 PolarHBondContact O-N 3.43Å; I145-V149 PolarHBondContact O-N 3.36Å
146	S	98.4	Very high	96.9	Very high	4 Å²	4	20.2 Å²	20.2	3%	0.028	12%	0.124	C	C	.	.	H	α-helix	trans	-64.6	-35.3	174.5	-74.4	0	0	0	0	112.3	P142 M148 V149 L150	P142-S146 PolarHBondContact O-N 3.45Å; P142-S146 PolarHBondContact O-OG 3.23Å; S146-M148 VanDerWaalsContact C-N 3.29Å; S146-M148 PolarHBondContact O-N 2.97Å; S146-V149 PolarHBondContact O-N 3.02Å; S146-L150 WeakPolarHBondContact O-CG 3.41Å; S146-L150 PolarHBondContact O-N 2.74Å
147	A	98.4	Very high	97.3	Very high	5 Å²	5	18.5 Å²	18.5	4%	0.041	11%	0.107	C	C	.	.	H	α-helix	trans	-63.1	-34.7	174.5	0	0	0	0	0	112.4	E143 E144 I145 L150 G151 A187 I190 A191	E143-A147 VanDerWaalsContact O-CB 3.26Å; E143-A147 WeakPolarHBondContact O-CB 2.86Å; E143-A147 PolarHBondContact O-N 2.93Å; E144-A147 WeakPolarHBondContact O-CB 3.39Å; E144-A147 PolarHBondContact O-N 3.38Å; I145-A147 VanDerWaalsContact C-N 3.31Å; I145-A147 PolarHBondContact O-N 2.86Å; A147-L150 PolarHBondContact O-N 3.22Å; A147-G151 PolarHBondContact O-N 3.19Å; A147-A187 WeakPolarHBondContact CA-O 3.37Å; A147-A187 HydrophobicContact CB-CB 4.44Å; A147-A187 WeakPolarHBondContact CB-O 3.34Å; A147-I190 HydrophobicContact CB-CB 3.65Å; A147-I190 HydrophobicContact CB-CG2 3.47Å; A147-I190 VanDerWaalsContact CB-CG2 3.47Å; A147-A191 HydrophobicContact CB-CB 4.25Å; A147-A191 WeakPolarHBondContact O-CB 3.3Å
148	M	98.2	Very high	97.5	Very high	12 Å²	12	17.4 Å²	17.4	6%	0.059	9%	0.09	C	C	.	.	H	α-helix	trans	-64	-44.1	173.8	-63.2	172.3	-162.2	0	0	111.1	V67 F69 I77 F140 E144 I145 S146 G151 K152	V67-M148 HydrophobicContact CG1-SD 3.63Å; V67-M148 HydrophobicContact CG2-CB 3.94Å; F69-M148 HydrophobicContact CZ-CE 4Å; F69-M148 HydrophobicContact CZ-SD 3.88Å; I77-M148 HydrophobicContact CD1-CB 3.97Å; F140-M148 HydrophobicContact CD1-CE 3.96Å; F140-M148 HydrophobicContact CE1-CE 3.78Å; F140-M148 HydrophobicContact CZ-CE 4.19Å; E144-M148 VanDerWaalsContact O-CG 3.31Å; E144-M148 WeakPolarHBondContact O-CG 3.43Å; E144-M148 PolarHBondContact O-N 2.94Å; I145-M148 HydrophobicContact CD1-CE 4.45Å; I145-M148 HydrophobicContact CD1-SD 4.36Å; I145-M148 WeakPolarHBondContact O-CB 3.29Å; I145-M148 PolarHBondContact O-N 3.43Å; S146-M148 VanDerWaalsContact C-N 3.29Å; S146-M148 PolarHBondContact O-N 2.97Å; M148-G151 PolarHBondContact O-N 3.08Å; M148-K152 PolarHBondContact O-N 3.46Å
149	V	98.6	Very high	97.6	Very high	5 Å²	5	19.3 Å²	19.3	3%	0.03	11%	0.114	C	C	.	.	H	α-helix	trans	-63	-45.6	175.4	-179.4	0	0	0	0	111.1	L36 S41 V67 I145 S146 G151 K152 M153	L36-V149 HydrophobicContact CD1-CB 4.15Å; L36-V149 HydrophobicContact CD1-CG1 3.84Å; S41-V149 VanDerWaalsContact OG-CG1 3.32Å; S41-V149 WeakPolarHBondContact OG-CG1 3.15Å; V67-V149 HydrophobicContact CG2-CG2 3.95Å; I145-V149 PolarHBondContact O-N 3.36Å; S146-V149 PolarHBondContact O-N 3.02Å; V149-G151 VanDerWaalsContact C-N 3.32Å; V149-G151 PolarHBondContact O-N 3.33Å; V149-K152 PolarHBondContact O-N 2.89Å; V149-M153 WeakPolarHBondContact O-CG 3.41Å; V149-M153 PolarHBondContact O-N 3.34Å
150	L	98.6	Very high	97.6	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-61.4	-39.2	175.2	-70.8	175.1	0	0	0	112.2	I34 L36 S146 A147 K152 M153 K154 V170 A187 A191	I34-L150 HydrophobicContact CB-CD2 4.39Å; I34-L150 HydrophobicContact CD1-CD2 4.07Å; I34-L150 HydrophobicContact CG2-CD2 3.76Å; L36-L150 HydrophobicContact CB-CD2 4.18Å; L36-L150 HydrophobicContact CD1-CD2 4.09Å; L36-L150 HydrophobicContact CD1-CG 4.21Å; L36-L150 HydrophobicContact CD2-CD1 4.25Å; L36-L150 HydrophobicContact CD2-CD2 4.18Å; L36-L150 HydrophobicContact CD2-CG 4.19Å; L36-L150 HydrophobicContact CG-CD2 4.37Å; S146-L150 WeakPolarHBondContact O-CG 3.41Å; S146-L150 PolarHBondContact O-N 2.74Å; A147-L150 PolarHBondContact O-N 3.22Å; L150-K152 VanDerWaalsContact C-N 3.35Å; L150-K152 PolarHBondContact O-N 3.49Å; L150-M153 PolarHBondContact O-N 3.03Å; L150-K154 WeakPolarHBondContact O-CB 3.49Å; L150-K154 PolarHBondContact O-N 2.83Å; L150-V170 HydrophobicContact CD2-CG1 4.13Å; L150-V170 HydrophobicContact CD2-CG2 4.43Å; L150-A187 HydrophobicContact CD1-CB 4.05Å; L150-A191 HydrophobicContact CB-CB 3.79Å
151	G	97.3	Very high	97.6	Very high	14 Å²	14	23 Å²	23	14%	0.144	12%	0.124	C	C	.	.	H	α-helix	trans	-58	-45.7	173.3	0	0	0	0	0	111.7	A147 M148 V149 M153 K154 E155	A147-G151 PolarHBondContact O-N 3.19Å; M148-G151 PolarHBondContact O-N 3.08Å; V149-G151 VanDerWaalsContact C-N 3.32Å; V149-G151 PolarHBondContact O-N 3.33Å; G151-M153 VanDerWaalsContact C-N 3.31Å; G151-M153 PolarHBondContact O-N 3.42Å; G151-K154 WeakPolarHBondContact O-CB 3.49Å; G151-K154 PolarHBondContact O-N 2.92Å; G151-E155 WeakPolarHBondContact O-CG 3.45Å; G151-E155 PolarHBondContact O-N 3.18Å
152	K	97.8	Very high	97.5	Very high	27 Å²	27	26.3 Å²	26.3	12%	0.117	16%	0.158	C	C	.	.	H	α-helix	trans	-62.4	-37.5	175.1	-176.8	58.6	179.1	-179.2	0	112.6	D57 I77 M148 V149 L150 E155 T156	D57-K152 IonicContact OD2-NZ 3.87Å; D57-K152 PolarHBondContact OD2-NZ 2.86Å; I77-K152 HydrophobicContact CB-CB 4.24Å; I77-K152 HydrophobicContact CB-CG 4.35Å; I77-K152 HydrophobicContact CD1-CB 4.45Å; I77-K152 HydrophobicContact CG2-CB 3.64Å; I77-K152 HydrophobicContact CG2-CG 3.99Å; M148-K152 PolarHBondContact O-N 3.46Å; V149-K152 PolarHBondContact O-N 2.89Å; L150-K152 VanDerWaalsContact C-N 3.35Å; L150-K152 PolarHBondContact O-N 3.49Å; K152-E155 PolarHBondContact O-N 3.26Å; K152-T156 WeakPolarHBondContact O-CB 3.33Å; K152-T156 PolarHBondContact O-N 2.77Å; K152-T156 PolarHBondContact O-OG1 3.43Å
153	M	98.5	Very high	97.3	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-69	-40	178.1	-64.7	-52.9	91.9	0	0	111.2	I34 V43 T63 V149 L150 G151 T156 A157	I34-M153 HydrophobicContact CD1-CB 4.12Å; I34-M153 HydrophobicContact CG1-CB 4.33Å; I34-M153 HydrophobicContact CG2-CB 4.03Å; I34-M153 HydrophobicContact CG2-CG 3.91Å; V43-M153 HydrophobicContact CB-CB 4.21Å; V43-M153 HydrophobicContact CG1-CB 4.47Å; V43-M153 HydrophobicContact CG1-SD 4.35Å; T63-M153 VanDerWaalsContact CB-CE 3.41Å; T63-M153 HydrophobicContact CG2-CE 3.62Å; V149-M153 WeakPolarHBondContact O-CG 3.41Å; V149-M153 PolarHBondContact O-N 3.34Å; L150-M153 PolarHBondContact O-N 3.03Å; G151-M153 VanDerWaalsContact C-N 3.31Å; G151-M153 PolarHBondContact O-N 3.42Å; M153-T156 WeakPolarHBondContact O-CB 3.28Å; M153-T156 PolarHBondContact O-N 2.97Å; M153-A157 PolarHBondContact O-N 3.23Å
154	K	98	Very high	97.2	Very high	29 Å²	29	38.7 Å²	38.7	13%	0.126	21%	0.212	C	C	.	.	H	α-helix	trans	-60.1	-50.2	170.9	170.6	-175.7	167.6	176.2	0	111.4	L150 G151 T156 A157 E158 V165 A191 G192 L193	L150-K154 WeakPolarHBondContact O-CB 3.49Å; L150-K154 PolarHBondContact O-N 2.83Å; G151-K154 WeakPolarHBondContact O-CB 3.49Å; G151-K154 PolarHBondContact O-N 2.92Å; K154-T156 VanDerWaalsContact C-N 3.27Å; K154-T156 PolarHBondContact O-N 3.11Å; K154-A157 PolarHBondContact O-N 2.96Å; K154-A157 VanDerWaalsContact O-N 3.11Å; K154-E158 VanDerWaalsContact CE-OE1 3.28Å; K154-E158 WeakPolarHBondContact CE-OE1 3.23Å; K154-E158 HydrophobicContact CG-CG 4.28Å; K154-E158 WeakPolarHBondContact O-CG 3.26Å; K154-E158 PolarHBondContact O-N 2.88Å; K154-V165 WeakPolarHBondContact CE-O 3.13Å; K154-V165 HydrophobicContact CG-CB 4.45Å; K154-A191 PolarHBondContact NZ-O 2.83Å; K154-G192 PolarHBondContact NZ-O 2.98Å; K154-L193 HydrophobicContact CB-CD1 4.44Å; K154-L193 HydrophobicContact CB-CD2 4.32Å; K154-L193 HydrophobicContact CD-CD2 3.79Å; K154-L193 HydrophobicContact CD-CG 4.09Å; K154-L193 HydrophobicContact CG-CD2 4.13Å
155	E	96.2	Very high	97.1	Very high	78 Å²	78	38 Å²	38	36%	0.364	21%	0.209	S	C	.	.	H	α-helix	trans	-57.3	-41	177.1	-75.3	170.7	-170	0	0	112.1	G151 K152 A157 E158 A159	G151-E155 WeakPolarHBondContact O-CG 3.45Å; G151-E155 PolarHBondContact O-N 3.18Å; K152-E155 PolarHBondContact O-N 3.26Å; E155-A157 VanDerWaalsContact C-N 3.34Å; E155-A157 PolarHBondContact O-N 2.99Å; E155-E158 PolarHBondContact O-N 3.47Å; E155-A159 WeakPolarHBondContact O-CB 3.34Å; E155-A159 PolarHBondContact O-N 3.49Å
156	T	97.9	Very high	97	Very high	9 Å²	9	40.4 Å²	40.4	6%	0.055	22%	0.224	C	C	.	.	H	α-helix	trans	-60.4	-45.1	176.4	-62.4	0	0	0	0	110.9	V43 I54 A55 N56 K152 M153 K154 Y160	V43-T156 HydrophobicContact CG1-CG2 4Å; I54-T156 HydrophobicContact CB-CG2 4.43Å; I54-T156 HydrophobicContact CG2-CG2 3.82Å; A55-T156 WeakPolarHBondContact O-CG2 3.37Å; N56-T156 HydrophobicContact CB-CG2 4.22Å; K152-T156 WeakPolarHBondContact O-CB 3.33Å; K152-T156 PolarHBondContact O-N 2.77Å; K152-T156 PolarHBondContact O-OG1 3.43Å; M153-T156 WeakPolarHBondContact O-CB 3.28Å; M153-T156 PolarHBondContact O-N 2.97Å; K154-T156 VanDerWaalsContact C-N 3.27Å; K154-T156 PolarHBondContact O-N 3.11Å; T156-Y160 PolarHBondContact O-N 2.82Å
157	A	97.9	Very high	97	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-68.6	-39.1	175.9	0	0	0	0	0	112.9	I32 V43 I54 M153 K154 E155 Y160 L161 V165	I32-A157 HydrophobicContact CD1-CB 3.99Å; I32-A157 HydrophobicContact CG2-CB 3.91Å; V43-A157 HydrophobicContact CG2-CB 4.16Å; I54-A157 HydrophobicContact CD1-CB 3.88Å; M153-A157 PolarHBondContact O-N 3.23Å; K154-A157 PolarHBondContact O-N 2.96Å; K154-A157 VanDerWaalsContact O-N 3.11Å; E155-A157 VanDerWaalsContact C-N 3.34Å; E155-A157 PolarHBondContact O-N 2.99Å; A157-Y160 PolarHBondContact O-N 2.87Å; A157-L161 VanDerWaalsContact O-CB 3.3Å; A157-L161 WeakPolarHBondContact O-CB 3.22Å; A157-L161 VanDerWaalsContact O-CG 3.23Å; A157-L161 WeakPolarHBondContact O-CG 3.36Å; A157-L161 PolarHBondContact O-N 3.35Å; A157-V165 HydrophobicContact CB-CG2 4.46Å
158	E	97.1	Very high	97	Very high	47 Å²	47	41.1 Å²	41.1	22%	0.22	23%	0.226	C	C	.	.	H	α-helix	trans	-63.5	-40.9	177.1	-72.5	-177.7	155.9	0	0	111.7	K154 E155 L161 G162 K163 K164 V165	K154-E158 VanDerWaalsContact CE-OE1 3.28Å; K154-E158 WeakPolarHBondContact CE-OE1 3.23Å; K154-E158 HydrophobicContact CG-CG 4.28Å; K154-E158 WeakPolarHBondContact O-CG 3.26Å; K154-E158 PolarHBondContact O-N 2.88Å; E155-E158 PolarHBondContact O-N 3.47Å; E158-L161 PolarHBondContact O-N 2.88Å; E158-G162 WeakPolarHBondContact O-CA 3.41Å; E158-G162 PolarHBondContact O-N 3.3Å; E158-K163 WeakPolarHBondContact CA-O 3.5Å; E158-K163 WeakPolarHBondContact CG-O 3.45Å; E158-K163 PolarHBondContact O-N 3.21Å; E158-K164 WeakPolarHBondContact OE1-CA 3.3Å; E158-K164 WeakPolarHBondContact OE1-CG 3.46Å; E158-V165 HydrophobicContact CG-CB 3.87Å; E158-V165 HydrophobicContact CG-CG2 3.8Å; E158-V165 PolarHBondContact OE1-N 2.82Å
159	A	96	Very high	97	Very high	85 Å²	85	40.6 Å²	40.6	70%	0.702	22%	0.223	S	C	*	.	H	α-helix	trans	-61.6	-44.5	175	0	0	0	0	0	111.7	E155	E155-A159 WeakPolarHBondContact O-CB 3.34Å; E155-A159 PolarHBondContact O-N 3.49Å
160	Y	96.8	Very high	97	Very high	115 Å²	115	40.3 Å²	40.3	45%	0.451	22%	0.222	S	C	.	.	H	α-helix	trans	-68.6	-41	177.2	175.4	-100.1	0	0	0	113.2	V45 I54 T156 A157	V45-Y160 HydrophobicContact CG1-CE1 4.18Å; I54-Y160 HydrophobicContact CD1-CD1 3.78Å; I54-Y160 HydrophobicContact CD1-CE1 4.48Å; I54-Y160 HydrophobicContact CD1-CG 4.23Å; I54-Y160 HydrophobicContact CG1-CD1 3.98Å; I54-Y160 HydrophobicContact CG1-CE1 4.42Å; I54-Y160 HydrophobicContact CG1-CG 4.23Å; I54-Y160 VanDerWaalsContact CG2-CB 3.45Å; I54-Y160 HydrophobicContact CG2-CD1 4.33Å; I54-Y160 HydrophobicContact CG2-CD2 4.16Å; I54-Y160 HydrophobicContact CG2-CG 3.74Å; T156-Y160 PolarHBondContact O-N 2.82Å; A157-Y160 PolarHBondContact O-N 2.87Å
161	L	95.5	Very high	96.9	Very high	25 Å²	25	40.3 Å²	40.3	13%	0.131	22%	0.222	C	C	.	.	H	α-helix	trans	-82.1	-17.9	-176.7	-66.7	171.3	0	0	0	113.2	T30 I32 A157 E158 K163 V165	T30-L161 HydrophobicContact CG2-CD1 3.78Å; I32-L161 HydrophobicContact CG2-CD1 4.43Å; A157-L161 VanDerWaalsContact O-CB 3.3Å; A157-L161 WeakPolarHBondContact O-CB 3.22Å; A157-L161 VanDerWaalsContact O-CG 3.23Å; A157-L161 WeakPolarHBondContact O-CG 3.36Å; A157-L161 PolarHBondContact O-N 3.35Å; E158-L161 PolarHBondContact O-N 2.88Å; L161-K163 HydrophobicContact CB-CG 3.99Å; L161-K163 PolarHBondContact O-N 2.77Å; L161-V165 HydrophobicContact CD1-CG2 3.75Å
162	G	95.1	Very high	96.9	Very high	70 Å²	70	39.7 Å²	39.7	72%	0.722	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.3	23	-175.4	0	0	0	0	0	113.8	E158	E158-G162 WeakPolarHBondContact O-CA 3.41Å; E158-G162 PolarHBondContact O-N 3.3Å
163	K	94.6	Very high	96.7	Very high	107 Å²	107	38.4 Å²	38.4	47%	0.465	21%	0.209	S	C	.	.	S	Bend	trans	-153.2	158	-178.4	64.9	-178.9	-178.1	177.3	0	111.2	T30 E158 L161	T30-K163 VanDerWaalsContact OG1-CE 3.26Å; T30-K163 WeakPolarHBondContact OG1-CE 3.46Å; T30-K163 PolarHBondContact OG1-NZ 2.68Å; E158-K163 WeakPolarHBondContact CA-O 3.5Å; E158-K163 WeakPolarHBondContact CG-O 3.45Å; E158-K163 PolarHBondContact O-N 3.21Å; L161-K163 HydrophobicContact CB-CG 3.99Å; L161-K163 PolarHBondContact O-N 2.77Å
164	K	94.3	Very high	96.3	Very high	160 Å²	160	38.4 Å²	38.4	70%	0.696	21%	0.209	S	C	*	.			trans	-64.4	137.3	178.5	-166.9	178.2	-176.1	174.5	0	111.8	E158 T166	E158-K164 WeakPolarHBondContact OE1-CA 3.3Å; E158-K164 WeakPolarHBondContact OE1-CG 3.46Å; K164-T166 HydrophobicContact CD-CG2 4.41Å; K164-T166 HydrophobicContact CG-CG2 4.39Å
165	V	95.8	Very high	95.7	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.012	21%	0.212	C	C	.	.			trans	-110.3	132.9	175.2	176.5	0	0	0	0	109	I32 K154 A157 E158 L161 L193	I32-V165 HydrophobicContact CB-CG1 4.5Å; I32-V165 HydrophobicContact CD1-CG1 3.79Å; I32-V165 HydrophobicContact CG1-CG1 3.83Å; I32-V165 HydrophobicContact CG2-CG1 3.95Å; I32-V165 HydrophobicContact CG2-CG2 4.36Å; K154-V165 WeakPolarHBondContact CE-O 3.13Å; K154-V165 HydrophobicContact CG-CB 4.45Å; A157-V165 HydrophobicContact CB-CG2 4.46Å; E158-V165 HydrophobicContact CG-CB 3.87Å; E158-V165 HydrophobicContact CG-CG2 3.8Å; E158-V165 PolarHBondContact OE1-N 2.82Å; L161-V165 HydrophobicContact CD1-CG2 3.75Å; V165-L193 HydrophobicContact CG1-CD2 4.35Å
166	T	96.3	Very high	95.3	Very high	53 Å²	53	35.7 Å²	35.7	33%	0.325	20%	0.195	S	C	.	.			trans	-127.1	-14.6	-174.1	49.2	0	0	0	0	113.8	K164 Q194	K164-T166 HydrophobicContact CD-CG2 4.41Å; K164-T166 HydrophobicContact CG-CG2 4.39Å; T166-Q194 PolarHBondContact O-N 3.49Å
167	H	97.6	Very high	94.7	Very high	25 Å²	25	36.3 Å²	36.3	12%	0.116	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	142.3	-174.2	-65.4	79.4	0	0	0	110	V31 I32 Q194 M196	V31-H167 HydrophobicContact CB-CB 4.39Å; V31-H167 HydrophobicContact CG1-CB 4.18Å; V31-H167 HydrophobicContact CG2-CB 3.85Å; I32-H167 PolarHBondContact N-O 3.33Å; H167-Q194 WeakPolarHBondContact CA-O 3.5Å; H167-Q194 VanDerWaalsContact NE2-CD 3.34Å; H167-Q194 PolarHBondContact NE2-OE1 2.9Å; H167-Q194 VanDerWaalsContact NE2-OE1 3.17Å; H167-M196 HydrophobicContact CB-CG 4.05Å; H167-M196 VanDerWaalsContact CD2-SD 3.56Å
168	A	98.2	Very high	93.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	155.5	178.9	0	0	0	0	0	112.9	I32 I34 V170 L193 Q194 V195 M196	I32-A168 HydrophobicContact CG1-CB 3.89Å; I32-A168 CarbonylContact O-C 3.57Å; I32-A168 VanDerWaalsContact O-CA 3.23Å; I32-A168 WeakPolarHBondContact O-CA 3.46Å; I34-A168 HydrophobicContact CD1-CB 4.17Å; A168-V170 HydrophobicContact CB-CG2 4.26Å; A168-L193 HydrophobicContact CB-CB 4.42Å; A168-L193 HydrophobicContact CB-CD1 4.03Å; A168-L193 HydrophobicContact CB-CD2 4.17Å; A168-L193 HydrophobicContact CB-CG 4.45Å; A168-Q194 PolarHBondContact N-O 3.35Å; A168-Q194 VanDerWaalsContact N-O 3.08Å; A168-V195 CarbonylContact O-C 3.55Å; A168-V195 WeakPolarHBondContact O-CA 3.45Å; A168-M196 PolarHBondContact O-N 3.3Å
169	V	98.2	Very high	93.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	128.9	157.5	176.3	0	0	0	0	107.2	V31 I32 I34 R197 I199 A398 Q401 A402 L405	V31-V169 HydrophobicContact CG1-CG2 4.33Å; I32-V169 PolarHBondContact O-N 3.43Å; I34-V169 PolarHBondContact N-O 2.97Å; V169-R197 WeakPolarHBondContact CA-O 3.39Å; V169-R197 HydrophobicContact CG1-CB 4.18Å; V169-R197 HydrophobicContact CG2-CB 4.07Å; V169-I199 HydrophobicContact CG1-CB 4.06Å; V169-I199 HydrophobicContact CG1-CG2 3.63Å; V169-A398 HydrophobicContact CG1-CB 4.29Å; V169-Q401 HydrophobicContact CG1-CB 4.43Å; V169-Q401 HydrophobicContact CG1-CG 4.33Å; V169-Q401 HydrophobicContact CG2-CG 4.39Å; V169-A402 HydrophobicContact CB-CB 4.33Å; V169-A402 HydrophobicContact CG2-CB 3.84Å; V169-L405 HydrophobicContact CG2-CD1 3.73Å
170	V	98.4	Very high	93.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	137.1	-177.3	-176.5	0	0	0	0	109.6	I34 L36 L150 A168 T184 V195 R197 I198 I199	I34-V170 WeakPolarHBondContact O-CA 3.45Å; L36-V170 HydrophobicContact CB-CG1 4.19Å; L150-V170 HydrophobicContact CD2-CG1 4.13Å; L150-V170 HydrophobicContact CD2-CG2 4.43Å; A168-V170 HydrophobicContact CB-CG2 4.26Å; V170-T184 HydrophobicContact CG1-CG2 3.85Å; V170-V195 HydrophobicContact CB-CG1 4.48Å; V170-V195 HydrophobicContact CG2-CG1 4.32Å; V170-V195 HydrophobicContact CG2-CG2 4.29Å; V170-R197 PolarHBondContact N-O 3.07Å; V170-R197 VanDerWaalsContact N-O 3.1Å; V170-I198 HydrophobicContact CB-CD1 4.18Å; V170-I198 WeakPolarHBondContact O-CA 3.47Å; V170-I199 PolarHBondContact O-N 3.28Å; V170-I199 VanDerWaalsContact O-N 3.08Å
171	T	98.3	Very high	92.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	152.3	-177.1	67.7	0	0	0	0	112.4	I34 D35 L36 I199 V394 A398	I34-T171 WeakPolarHBondContact O-CG2 3.36Å; I34-T171 PolarHBondContact O-N 3.39Å; D35-T171 VanDerWaalsContact CA-OG1 3.26Å; D35-T171 WeakPolarHBondContact CA-OG1 3.46Å; D35-T171 HydrophobicContact CB-CG2 4.4Å; D35-T171 PolarHBondContact OD1-OG1 2.96Å; L36-T171 PolarHBondContact N-OG1 3.16Å; T171-I199 CarbonylContact C-O 3.51Å; T171-I199 VanDerWaalsContact CA-O 3.28Å; T171-I199 WeakPolarHBondContact CA-O 3.37Å; T171-I199 HydrophobicContact CG2-CG2 3.74Å; T171-V394 HydrophobicContact CG2-CG1 3.43Å; T171-V394 VanDerWaalsContact CG2-CG1 3.43Å; T171-A398 HydrophobicContact CG2-CB 3.81Å
172	V	96	Very high	92.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	153.3	168.8	-66.1	0	0	0	0	110.2	A174 F176 R181 T184 I198 I199 N200 E201	V172-A174 PolarHBondContact O-N 2.81Å; V172-F176 HydrophobicContact CB-CB 4.42Å; V172-F176 HydrophobicContact CB-CD2 3.75Å; V172-F176 HydrophobicContact CB-CE2 4.4Å; V172-F176 HydrophobicContact CB-CG 4.29Å; V172-F176 HydrophobicContact CG1-CD2 3.91Å; V172-F176 HydrophobicContact CG1-CE2 4.34Å; V172-R181 HydrophobicContact CG2-CG 4.3Å; V172-T184 HydrophobicContact CG1-CG2 3.76Å; V172-I198 HydrophobicContact CB-CG2 4.16Å; V172-I198 HydrophobicContact CG1-CG2 3.74Å; V172-I198 HydrophobicContact CG2-CG2 3.32Å; V172-I199 PolarHBondContact N-O 2.94Å; V172-N200 CarbonylContact O-C 3.59Å; V172-N200 WeakPolarHBondContact O-CA 3.34Å; V172-E201 VanDerWaalsContact C-OE1 3.28Å; V172-E201 WeakPolarHBondContact O-CG 3.3Å; V172-E201 PolarHBondContact O-N 3.3Å
173	P	94	Very high	92.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.105	C	C	.	.			trans	-53.9	140.9	169.7	-28.9	38.8	0	0	0	110.5	Y175 F176 E201 T229 D231	P173-Y175 PolarHBondContact O-N 3.2Å; P173-F176 HydrophobicContact CB-CD1 3.61Å; P173-F176 HydrophobicContact CB-CE1 4Å; P173-F176 HydrophobicContact CB-CG 4.18Å; P173-F176 HydrophobicContact CG-CD1 3.56Å; P173-F176 HydrophobicContact CG-CE1 3.44Å; P173-F176 VanDerWaalsContact CG-CE1 3.44Å; P173-F176 HydrophobicContact CG-CE2 4.45Å; P173-F176 HydrophobicContact CG-CG 4.17Å; P173-F176 HydrophobicContact CG-CZ 3.93Å; P173-F176 WeakPolarHBondContact O-CB 3.48Å; P173-F176 PolarHBondContact O-N 3.45Å; P173-E201 WeakPolarHBondContact CD-OE1 3.38Å; P173-E201 VanDerWaalsContact N-OE1 3.14Å; P173-T229 HydrophobicContact CB-CG2 4.12Å; P173-T229 HydrophobicContact CG-CG2 3.54Å; P173-D231 WeakPolarHBondContact CA-OD2 3.4Å; P173-D231 WeakPolarHBondContact CB-OD2 2.98Å
174	A	89.6	Confident	92.5	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.008	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-35.4	-177.6	0	0	0	0	0	111.4	V172 F176 R181 N200 P202 D231 T247 P421	V172-A174 PolarHBondContact O-N 2.81Å; A174-F176 VanDerWaalsContact C-N 3.32Å; A174-F176 PolarHBondContact O-N 3.41Å; A174-R181 PolarHBondContact O-NH2 2.86Å; A174-N200 HydrophobicContact CB-CB 4.17Å; A174-P202 HydrophobicContact CB-CG 3.95Å; A174-D231 HydrophobicContact CB-CB 4.29Å; A174-D231 VanDerWaalsContact N-CG 3.34Å; A174-D231 PolarHBondContact N-OD1 3.02Å; A174-D231 PolarHBondContact N-OD2 3.35Å; A174-T247 WeakPolarHBondContact CB-OG1 3.46Å; A174-P421 WeakPolarHBondContact O-CB 3.2Å; A174-P421 WeakPolarHBondContact O-CG 3.28Å
175	Y	87	Confident	92.4	Very high	49 Å²	49	12.1 Å²	12.1	19%	0.192	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	9.7	179.8	-143.6	-112.3	0	0	0	114.7	P173 D231 T251 P421 L422	P173-Y175 PolarHBondContact O-N 3.2Å; Y175-D231 WeakPolarHBondContact CB-OD1 3.39Å; Y175-D231 PolarHBondContact N-OD1 3.09Å; Y175-T251 HydrophobicContact CD1-CG2 4.43Å; Y175-T251 WeakPolarHBondContact O-CG2 3.42Å; Y175-P421 HydrophobicContact CD2-CB 3.85Å; Y175-P421 HydrophobicContact CE2-CB 4.31Å; Y175-L422 HydrophobicContact CE1-CD2 4.08Å; Y175-L422 HydrophobicContact CE2-CD2 3.94Å; Y175-L422 WeakPolarHBondContact OH-CD2 2.95Å
176	F	87.8	Confident	92.3	Very high	1 Å²	1	12.4 Å²	12.4	0%	0.004	6%	0.063	C	C	.	.			trans	-61.4	136.7	168.5	-96.4	20.8	0	0	0	111	K97 I100 V172 P173 A174 Q180 R181 T229 T251	K97-F176 HydrophobicContact CG-CZ 4.02Å; I100-F176 HydrophobicContact CG2-CE2 4.19Å; I100-F176 HydrophobicContact CG2-CZ 4.14Å; V172-F176 HydrophobicContact CB-CB 4.42Å; V172-F176 HydrophobicContact CB-CD2 3.75Å; V172-F176 HydrophobicContact CB-CE2 4.4Å; V172-F176 HydrophobicContact CB-CG 4.29Å; V172-F176 HydrophobicContact CG1-CD2 3.91Å; V172-F176 HydrophobicContact CG1-CE2 4.34Å; P173-F176 HydrophobicContact CB-CD1 3.61Å; P173-F176 HydrophobicContact CB-CE1 4Å; P173-F176 HydrophobicContact CB-CG 4.18Å; P173-F176 HydrophobicContact CG-CD1 3.56Å; P173-F176 HydrophobicContact CG-CE1 3.44Å; P173-F176 VanDerWaalsContact CG-CE1 3.44Å; P173-F176 HydrophobicContact CG-CE2 4.45Å; P173-F176 HydrophobicContact CG-CG 4.17Å; P173-F176 HydrophobicContact CG-CZ 3.93Å; P173-F176 WeakPolarHBondContact O-CB 3.48Å; P173-F176 PolarHBondContact O-N 3.45Å; A174-F176 VanDerWaalsContact C-N 3.32Å; A174-F176 PolarHBondContact O-N 3.41Å; F176-Q180 HydrophobicContact CB-CB 4.06Å; F176-Q180 HydrophobicContact CD1-CB 4.23Å; F176-Q180 HydrophobicContact CD2-CB 3.43Å; F176-Q180 VanDerWaalsContact CD2-CB 3.43Å; F176-Q180 HydrophobicContact CE2-CB 3.8Å; F176-Q180 HydrophobicContact CG-CB 3.66Å; F176-Q180 HydrophobicContact CG-CG 4.5Å; F176-Q180 HydrophobicContact CZ-CB 4.32Å; F176-R181 HydrophobicContact CB-CG 4.07Å; F176-R181 PolarHBondContact O-NE 2.78Å; F176-T229 HydrophobicContact CE1-CG2 4.47Å; F176-T251 HydrophobicContact CD1-CG2 3.94Å; F176-T251 HydrophobicContact CE1-CG2 4.43Å
177	N	83.8	Confident	92.4	Very high	23 Å²	23	9.9 Å²	9.9	12%	0.123	5%	0.047	C	C	.	.			trans	-81.4	177.2	174.4	74.2	5.3	0	0	0	113.6	A179 Q180 R181 L422 E467	N177-A179 PolarHBondContact O-N 2.5Å; N177-A179 PolarHBondContact OD1-N 2.97Å; N177-Q180 PolarHBondContact O-N 3.01Å; N177-Q180 WeakPolarHBondContact OD1-CB 3.42Å; N177-Q180 WeakPolarHBondContact OD1-CG 3.47Å; N177-Q180 PolarHBondContact OD1-N 3.36Å; N177-Q180 PolarHBondContact OD1-OE1 2.9Å; N177-R181 WeakPolarHBondContact O-CB 3.41Å; N177-R181 VanDerWaalsContact O-CG 3.29Å; N177-R181 WeakPolarHBondContact O-CG 3.42Å; N177-R181 PolarHBondContact O-N 3.49Å; N177-L422 HydrophobicContact CB-CD1 4.32Å; N177-E467 WeakPolarHBondContact CB-OE1 3.3Å; N177-E467 WeakPolarHBondContact CB-OE2 3.32Å; N177-E467 PolarHBondContact ND2-OE1 2.97Å
178	D	82.4	Confident	92.4	Very high	5 Å²	5	8.7 Å²	8.7	3%	0.027	4%	0.042	C	C	.	.	H	α-helix	trans	-56.4	-46.3	-178.4	-174.1	86.5	0	0	0	112.2	Q180 R181 Q182 L479 I508 L509	D178-Q180 PolarHBondContact O-N 2.68Å; D178-R181 PolarHBondContact O-N 3.27Å; D178-Q182 VanDerWaalsContact O-CB 3.31Å; D178-Q182 WeakPolarHBondContact O-CB 3.41Å; D178-Q182 PolarHBondContact O-N 2.92Å; D178-L479 HydrophobicContact CB-CD2 3.9Å; D178-I508 WeakPolarHBondContact OD1-CA 3.28Å; D178-L509 PolarHBondContact OD1-N 2.84Å
179	A	86.6	Confident	92.2	Very high	12 Å²	12	11.2 Å²	11.2	10%	0.099	6%	0.057	C	C	.	.	H	α-helix	trans	-62.1	-41.4	-179.9	0	0	0	0	0	112.6	N177 A183	N177-A179 PolarHBondContact O-N 2.5Å; N177-A179 PolarHBondContact OD1-N 2.97Å; A179-A183 VanDerWaalsContact O-CB 3.22Å; A179-A183 WeakPolarHBondContact O-CB 3.4Å; A179-A183 PolarHBondContact O-N 3.46Å
180	Q	90.5	Very high	92.1	Very high	5 Å²	5	11.5 Å²	11.5	2%	0.023	6%	0.058	C	C	.	.	H	α-helix	trans	-71.4	-40.2	178.4	-66.8	176.4	-59	0	0	113	I100 F176 N177 D178 Q182 A183 T184	I100-Q180 WeakPolarHBondContact O-CG 3.35Å; F176-Q180 HydrophobicContact CB-CB 4.06Å; F176-Q180 HydrophobicContact CD1-CB 4.23Å; F176-Q180 HydrophobicContact CD2-CB 3.43Å; F176-Q180 VanDerWaalsContact CD2-CB 3.43Å; F176-Q180 HydrophobicContact CE2-CB 3.8Å; F176-Q180 HydrophobicContact CG-CB 3.66Å; F176-Q180 HydrophobicContact CG-CG 4.5Å; F176-Q180 HydrophobicContact CZ-CB 4.32Å; N177-Q180 PolarHBondContact O-N 3.01Å; N177-Q180 WeakPolarHBondContact OD1-CB 3.42Å; N177-Q180 WeakPolarHBondContact OD1-CG 3.47Å; N177-Q180 PolarHBondContact OD1-N 3.36Å; N177-Q180 PolarHBondContact OD1-OE1 2.9Å; D178-Q180 PolarHBondContact O-N 2.68Å; Q180-Q182 VanDerWaalsContact C-N 3.31Å; Q180-A183 PolarHBondContact O-N 3.11Å; Q180-T184 PolarHBondContact O-N 3.33Å; Q180-T184 PolarHBondContact O-OG1 3.49Å
181	R	90.9	Very high	92	Very high	6 Å²	6	12.2 Å²	12.2	2%	0.023	7%	0.065	C	C	.	.	H	α-helix	trans	-59.9	-46.4	174.1	-73.8	172.6	-179.1	-80.3	-10.1	110.6	V172 A174 F176 N177 D178 T184 K185 N200	V172-R181 HydrophobicContact CG2-CG 4.3Å; A174-R181 PolarHBondContact O-NH2 2.86Å; F176-R181 HydrophobicContact CB-CG 4.07Å; F176-R181 PolarHBondContact O-NE 2.78Å; N177-R181 WeakPolarHBondContact O-CB 3.41Å; N177-R181 VanDerWaalsContact O-CG 3.29Å; N177-R181 WeakPolarHBondContact O-CG 3.42Å; N177-R181 PolarHBondContact O-N 3.49Å; D178-R181 PolarHBondContact O-N 3.27Å; R181-T184 PolarHBondContact O-N 3.05Å; R181-K185 PolarHBondContact O-N 3.26Å; R181-N200 VanDerWaalsContact CZ-OD1 3.25Å; R181-N200 PolarHBondContact NH1-OD1 3.27Å; R181-N200 PolarHBondContact NH2-OD1 3.05Å
182	Q	88.5	Confident	91.9	Very high	13 Å²	13	14.2 Å²	14.2	6%	0.061	9%	0.085	C	C	.	.	H	α-helix	trans	-67.3	-45.2	179.2	-177	66.2	60.1	0	0	112.6	D178 Q180 T184 K185 D186 R532	D178-Q182 VanDerWaalsContact O-CB 3.31Å; D178-Q182 WeakPolarHBondContact O-CB 3.41Å; D178-Q182 PolarHBondContact O-N 2.92Å; Q180-Q182 VanDerWaalsContact C-N 3.31Å; Q182-T184 PolarHBondContact O-N 3.4Å; Q182-K185 CarbonylContact O-C 3.51Å; Q182-K185 WeakPolarHBondContact O-CA 3.41Å; Q182-K185 WeakPolarHBondContact O-CB 3.21Å; Q182-K185 PolarHBondContact O-N 3.38Å; Q182-D186 PolarHBondContact NE2-OD1 3.04Å; Q182-D186 VanDerWaalsContact O-CG 3.26Å; Q182-D186 PolarHBondContact O-N 2.96Å; Q182-R532 VanDerWaalsContact NE2-NH2 3.13Å
183	A	92.8	Very high	91.9	Very high	3 Å²	3	14.5 Å²	14.5	3%	0.025	9%	0.086	C	C	.	.	H	α-helix	trans	-60.3	-36.7	178	0	0	0	0	0	111.7	I100 E143 A179 Q180 D186 A187	I100-A183 HydrophobicContact CD1-CB 4.26Å; I100-A183 HydrophobicContact CG1-CB 3.64Å; E143-A183 HydrophobicContact CG-CB 3.82Å; E143-A183 WeakPolarHBondContact CG-O 3.42Å; A179-A183 VanDerWaalsContact O-CB 3.22Å; A179-A183 WeakPolarHBondContact O-CB 3.4Å; A179-A183 PolarHBondContact O-N 3.46Å; Q180-A183 PolarHBondContact O-N 3.11Å; A183-D186 PolarHBondContact O-N 2.81Å; A183-A187 WeakPolarHBondContact O-CB 3.39Å; A183-A187 PolarHBondContact O-N 2.84Å
184	T	95.2	Very high	92	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.006	11%	0.112	C	C	.	.	H	α-helix	trans	-65	-40.8	171.5	-54.8	0	0	0	0	112.2	L36 V170 V172 Q180 R181 Q182 A187 G188 I198	L36-T184 HydrophobicContact CD2-CG2 4.05Å; V170-T184 HydrophobicContact CG1-CG2 3.85Å; V172-T184 HydrophobicContact CG1-CG2 3.76Å; Q180-T184 PolarHBondContact O-N 3.33Å; Q180-T184 PolarHBondContact O-OG1 3.49Å; R181-T184 PolarHBondContact O-N 3.05Å; Q182-T184 PolarHBondContact O-N 3.4Å; T184-A187 WeakPolarHBondContact O-CB 3.49Å; T184-A187 PolarHBondContact O-N 2.94Å; T184-G188 PolarHBondContact O-N 3.09Å; T184-G188 VanDerWaalsContact O-N 3.14Å; T184-I198 HydrophobicContact CG2-CD1 4.41Å
185	K	93.7	Very high	92.3	Very high	56 Å²	56	20.5 Å²	20.5	24%	0.243	12%	0.115	C	C	.	.	H	α-helix	trans	-63	-43.4	174.4	-174.8	177.2	179.3	177.3	0	111.6	R181 Q182 A187 G188 V189 V195 I198 I508	R181-K185 PolarHBondContact O-N 3.26Å; Q182-K185 CarbonylContact O-C 3.51Å; Q182-K185 WeakPolarHBondContact O-CA 3.41Å; Q182-K185 WeakPolarHBondContact O-CB 3.21Å; Q182-K185 PolarHBondContact O-N 3.38Å; K185-A187 VanDerWaalsContact C-N 3.33Å; K185-G188 WeakPolarHBondContact O-CA 3.43Å; K185-G188 PolarHBondContact O-N 3.39Å; K185-G188 VanDerWaalsContact O-N 3.11Å; K185-V189 PolarHBondContact O-N 2.99Å; K185-V195 HydrophobicContact CG-CB 4.14Å; K185-V195 HydrophobicContact CG-CG1 4.37Å; K185-V195 HydrophobicContact CG-CG2 4.44Å; K185-I198 HydrophobicContact CB-CD1 4.26Å; K185-I198 HydrophobicContact CB-CG1 4.36Å; K185-I508 HydrophobicContact CD-CD1 4.09Å
186	D	93.5	Very high	92.7	Very high	8 Å²	8	20.6 Å²	20.6	4%	0.043	12%	0.118	C	C	.	.	H	α-helix	trans	-63.5	-39.9	177.5	-64.3	-15.8	0	0	0	110.7	Q182 A183 G188 V189 I190 L533 I538	Q182-D186 PolarHBondContact NE2-OD1 3.04Å; Q182-D186 VanDerWaalsContact O-CG 3.26Å; Q182-D186 PolarHBondContact O-N 2.96Å; A183-D186 PolarHBondContact O-N 2.81Å; D186-G188 VanDerWaalsContact C-N 3.28Å; D186-G188 PolarHBondContact O-N 2.66Å; D186-V189 WeakPolarHBondContact O-CB 3.36Å; D186-V189 PolarHBondContact O-N 3.38Å; D186-V189 VanDerWaalsContact O-N 3.11Å; D186-I190 VanDerWaalsContact O-CG1 3.29Å; D186-I190 WeakPolarHBondContact O-CG1 3.49Å; D186-I190 PolarHBondContact O-N 2.89Å; D186-L533 HydrophobicContact CB-CD1 4.49Å; D186-I538 HydrophobicContact CB-CD1 4.35Å
187	A	97.2	Very high	93	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-57.9	-39.7	171.6	0	0	0	0	0	112.4	E143 A147 L150 A183 T184 K185 I190 A191	E143-A187 HydrophobicContact CB-CB 4.45Å; E143-A187 VanDerWaalsContact O-CB 3.29Å; E143-A187 WeakPolarHBondContact O-CB 3.47Å; A147-A187 WeakPolarHBondContact CA-O 3.37Å; A147-A187 HydrophobicContact CB-CB 4.44Å; A147-A187 WeakPolarHBondContact CB-O 3.34Å; L150-A187 HydrophobicContact CD1-CB 4.05Å; A183-A187 WeakPolarHBondContact O-CB 3.39Å; A183-A187 PolarHBondContact O-N 2.84Å; T184-A187 WeakPolarHBondContact O-CB 3.49Å; T184-A187 PolarHBondContact O-N 2.94Å; K185-A187 VanDerWaalsContact C-N 3.33Å; A187-I190 PolarHBondContact O-N 3.01Å; A187-A191 WeakPolarHBondContact O-CB 3.48Å; A187-A191 PolarHBondContact O-N 3.11Å
188	G	97.2	Very high	93.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63	-42.6	173.3	0	0	0	0	0	112.9	T184 K185 D186 A191 G192 L193	T184-G188 PolarHBondContact O-N 3.09Å; T184-G188 VanDerWaalsContact O-N 3.14Å; K185-G188 WeakPolarHBondContact O-CA 3.43Å; K185-G188 PolarHBondContact O-N 3.39Å; K185-G188 VanDerWaalsContact O-N 3.11Å; D186-G188 VanDerWaalsContact C-N 3.28Å; D186-G188 PolarHBondContact O-N 2.66Å; G188-A191 PolarHBondContact O-N 3.43Å; G188-G192 PolarHBondContact O-N 3.15Å; G188-L193 CarbonylContact C-O 3.57Å; G188-L193 WeakPolarHBondContact O-CB 2.97Å; G188-L193 PolarHBondContact O-N 3.31Å
189	V	95.3	Very high	94.1	Very high	52 Å²	52	22.6 Å²	22.6	32%	0.315	12%	0.124	S	C	.	.	H	α-helix	trans	-62.7	-44.6	175.9	175.4	0	0	0	0	111	K185 D186 A191 G192 I538 I542	K185-V189 PolarHBondContact O-N 2.99Å; D186-V189 WeakPolarHBondContact O-CB 3.36Å; D186-V189 PolarHBondContact O-N 3.38Å; D186-V189 VanDerWaalsContact O-N 3.11Å; V189-A191 VanDerWaalsContact C-N 3.26Å; V189-A191 PolarHBondContact O-N 3.28Å; V189-G192 WeakPolarHBondContact O-CA 3.3Å; V189-G192 PolarHBondContact O-N 2.86Å; V189-I538 HydrophobicContact CG1-CG2 3.88Å; V189-I542 HydrophobicContact CG1-CD1 4.09Å
190	I	96	Very high	94.6	Very high	6 Å²	6	22.2 Å²	22.2	3%	0.031	12%	0.12	C	C	.	.	H	α-helix	trans	-61.2	-34.9	176.4	-64.4	162.5	0	0	0	111.3	E143 A147 D186 A187 G192 L533 I538 M541 A545	E143-I190 HydrophobicContact CB-CD1 4.11Å; A147-I190 HydrophobicContact CB-CB 3.65Å; A147-I190 HydrophobicContact CB-CG2 3.47Å; A147-I190 VanDerWaalsContact CB-CG2 3.47Å; D186-I190 VanDerWaalsContact O-CG1 3.29Å; D186-I190 WeakPolarHBondContact O-CG1 3.49Å; D186-I190 PolarHBondContact O-N 2.89Å; A187-I190 PolarHBondContact O-N 3.01Å; I190-G192 PolarHBondContact O-N 2.95Å; I190-L533 HydrophobicContact CD1-CD1 4.04Å; I190-I538 HydrophobicContact CG1-CG2 4.39Å; I190-M541 HydrophobicContact CD1-CB 4.02Å; I190-M541 HydrophobicContact CD1-SD 3.74Å; I190-M541 HydrophobicContact CG1-CB 4Å; I190-M541 HydrophobicContact CG2-CB 4.13Å; I190-A545 HydrophobicContact CG2-CB 4.12Å
191	A	96.9	Very high	94.9	Very high	16 Å²	16	22.3 Å²	22.3	13%	0.132	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	0.8	174.6	0	0	0	0	0	114.1	A147 L150 K154 A187 G188 V189 L193	A147-A191 HydrophobicContact CB-CB 4.25Å; A147-A191 WeakPolarHBondContact O-CB 3.3Å; L150-A191 HydrophobicContact CB-CB 3.79Å; K154-A191 PolarHBondContact NZ-O 2.83Å; A187-A191 WeakPolarHBondContact O-CB 3.48Å; A187-A191 PolarHBondContact O-N 3.11Å; G188-A191 PolarHBondContact O-N 3.43Å; V189-A191 VanDerWaalsContact C-N 3.26Å; V189-A191 PolarHBondContact O-N 3.28Å; A191-L193 HydrophobicContact CB-CD1 4.47Å
192	G	94.9	Very high	95.1	Very high	42 Å²	42	22 Å²	22	43%	0.433	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	36.5	-176	0	0	0	0	0	112.8	K154 G188 V189 I190	K154-G192 PolarHBondContact NZ-O 2.98Å; G188-G192 PolarHBondContact O-N 3.15Å; V189-G192 WeakPolarHBondContact O-CA 3.3Å; V189-G192 PolarHBondContact O-N 2.86Å; I190-G192 PolarHBondContact O-N 2.95Å
193	L	96.9	Very high	95.4	Very high	5 Å²	5	21.4 Å²	21.4	3%	0.026	12%	0.117	C	C	.	.			trans	-114.2	131.4	172	-66.9	167.5	0	0	0	110.1	I34 K154 V165 A168 G188 A191 V195	I34-L193 HydrophobicContact CD1-CD1 3.81Å; K154-L193 HydrophobicContact CB-CD1 4.44Å; K154-L193 HydrophobicContact CB-CD2 4.32Å; K154-L193 HydrophobicContact CD-CD2 3.79Å; K154-L193 HydrophobicContact CD-CG 4.09Å; K154-L193 HydrophobicContact CG-CD2 4.13Å; V165-L193 HydrophobicContact CG1-CD2 4.35Å; A168-L193 HydrophobicContact CB-CB 4.42Å; A168-L193 HydrophobicContact CB-CD1 4.03Å; A168-L193 HydrophobicContact CB-CD2 4.17Å; A168-L193 HydrophobicContact CB-CG 4.45Å; G188-L193 CarbonylContact C-O 3.57Å; G188-L193 WeakPolarHBondContact O-CB 2.97Å; G188-L193 PolarHBondContact O-N 3.31Å; A191-L193 HydrophobicContact CB-CD1 4.47Å; L193-V195 PolarHBondContact O-N 2.72Å
194	Q	96.1	Very high	95.6	Very high	113 Å²	113	21.3 Å²	21.3	53%	0.528	12%	0.116	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	103.9	163.2	-178.2	172.2	-28.4	0	0	108.7	T166 H167 A168 M196	T166-Q194 PolarHBondContact O-N 3.49Å; H167-Q194 WeakPolarHBondContact CA-O 3.5Å; H167-Q194 VanDerWaalsContact NE2-CD 3.34Å; H167-Q194 PolarHBondContact NE2-OE1 2.9Å; H167-Q194 VanDerWaalsContact NE2-OE1 3.17Å; A168-Q194 PolarHBondContact N-O 3.35Å; A168-Q194 VanDerWaalsContact N-O 3.08Å; Q194-M196 HydrophobicContact CG-SD 4.28Å; Q194-M196 PolarHBondContact O-N 3.3Å; Q194-M196 VanDerWaalsContact O-N 3.09Å
195	V	95.9	Very high	95.6	Very high	14 Å²	14	21.2 Å²	21.2	9%	0.085	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	101.7	178.5	-176.2	0	0	0	0	109.5	A168 V170 K185 L193 I198	A168-V195 CarbonylContact O-C 3.55Å; A168-V195 WeakPolarHBondContact O-CA 3.45Å; V170-V195 HydrophobicContact CB-CG1 4.48Å; V170-V195 HydrophobicContact CG2-CG1 4.32Å; V170-V195 HydrophobicContact CG2-CG2 4.29Å; K185-V195 HydrophobicContact CG-CB 4.14Å; K185-V195 HydrophobicContact CG-CG1 4.37Å; K185-V195 HydrophobicContact CG-CG2 4.44Å; L193-V195 PolarHBondContact O-N 2.72Å; V195-I198 HydrophobicContact CG1-CD1 3.69Å; V195-I198 HydrophobicContact CG1-CG1 4.13Å
196	M	94.4	Very high	95.7	Very high	51 Å²	51	18.6 Å²	18.6	25%	0.251	10%	0.104	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	-32.3	-177.4	-69.1	-64.3	-72.5	0	0	112.4	L28 V31 H167 A168 Q194 L405	L28-M196 HydrophobicContact CD1-CE 4.04Å; L28-M196 HydrophobicContact CD2-CE 3.86Å; L28-M196 HydrophobicContact CD2-SD 4.42Å; V31-M196 HydrophobicContact CG1-CG 4.41Å; H167-M196 HydrophobicContact CB-CG 4.05Å; H167-M196 VanDerWaalsContact CD2-SD 3.56Å; A168-M196 PolarHBondContact O-N 3.3Å; Q194-M196 HydrophobicContact CG-SD 4.28Å; Q194-M196 PolarHBondContact O-N 3.3Å; Q194-M196 VanDerWaalsContact O-N 3.09Å; M196-L405 HydrophobicContact CB-CD1 4.07Å
197	R	94.3	Very high	95.7	Very high	63 Å²	63	18.2 Å²	18.2	24%	0.238	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	138.3	177.9	-171.9	62.5	60.5	119.6	9.8	110.4	V169 V170 L405 A505 N506	V169-R197 WeakPolarHBondContact CA-O 3.39Å; V169-R197 HydrophobicContact CG1-CB 4.18Å; V169-R197 HydrophobicContact CG2-CB 4.07Å; V170-R197 PolarHBondContact N-O 3.07Å; V170-R197 VanDerWaalsContact N-O 3.1Å; R197-L405 HydrophobicContact CB-CD1 3.7Å; R197-A505 WeakPolarHBondContact CD-O 3.31Å; R197-A505 PolarHBondContact NH1-O 2.79Å; R197-A505 VanDerWaalsContact NH1-O 3.1Å; R197-N506 WeakPolarHBondContact CA-OD1 3.4Å; R197-N506 WeakPolarHBondContact CD-OD1 2.94Å
198	I	94.8	Very high	95.5	Very high	5 Å²	5	19.3 Å²	19.3	3%	0.026	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	120.8	158.4	-65.1	-64.7	0	0	0	107.4	V170 V172 T184 K185 V195 N506	V170-I198 HydrophobicContact CB-CD1 4.18Å; V170-I198 WeakPolarHBondContact O-CA 3.47Å; V172-I198 HydrophobicContact CB-CG2 4.16Å; V172-I198 HydrophobicContact CG1-CG2 3.74Å; V172-I198 HydrophobicContact CG2-CG2 3.32Å; T184-I198 HydrophobicContact CG2-CD1 4.41Å; K185-I198 HydrophobicContact CB-CD1 4.26Å; K185-I198 HydrophobicContact CB-CG1 4.36Å; V195-I198 HydrophobicContact CG1-CD1 3.69Å; V195-I198 HydrophobicContact CG1-CG1 4.13Å; I198-N506 HydrophobicContact CB-CB 4.26Å; I198-N506 PolarHBondContact N-OD1 3.39Å
199	I	95.7	Very high	95.3	Very high	3 Å²	3	20.2 Å²	20.2	2%	0.015	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	141.4	179.5	-167.6	170.2	0	0	0	110.4	V169 V170 T171 V172 T203 A204 I207 A398 Q401 L416	V169-I199 HydrophobicContact CG1-CB 4.06Å; V169-I199 HydrophobicContact CG1-CG2 3.63Å; V170-I199 PolarHBondContact O-N 3.28Å; V170-I199 VanDerWaalsContact O-N 3.08Å; T171-I199 CarbonylContact C-O 3.51Å; T171-I199 VanDerWaalsContact CA-O 3.28Å; T171-I199 WeakPolarHBondContact CA-O 3.37Å; T171-I199 HydrophobicContact CG2-CG2 3.74Å; V172-I199 PolarHBondContact N-O 2.94Å; I199-T203 HydrophobicContact CD1-CG2 4.42Å; I199-T203 HydrophobicContact CG1-CG2 4.33Å; I199-A204 HydrophobicContact CD1-CB 4Å; I199-A204 HydrophobicContact CG1-CB 4.34Å; I199-A204 HydrophobicContact CG2-CB 4.3Å; I199-I207 HydrophobicContact CD1-CD1 3.89Å; I199-A398 HydrophobicContact CG2-CB 4.19Å; I199-Q401 HydrophobicContact CD1-CB 3.99Å; I199-Q401 HydrophobicContact CD1-CG 4.11Å; I199-L416 HydrophobicContact CD1-CD2 4.31Å
200	N	95.2	Very high	95	Very high	4 Å²	4	17.9 Å²	17.9	2%	0.021	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	137.4	174.4	-67.3	-28.3	0	0	0	110.6	V172 A174 R181 T203 A204 D418	V172-N200 CarbonylContact O-C 3.59Å; V172-N200 WeakPolarHBondContact O-CA 3.34Å; A174-N200 HydrophobicContact CB-CB 4.17Å; R181-N200 VanDerWaalsContact CZ-OD1 3.25Å; R181-N200 PolarHBondContact NH1-OD1 3.27Å; R181-N200 PolarHBondContact NH2-OD1 3.05Å; N200-T203 WeakPolarHBondContact O-CB 3.4Å; N200-T203 PolarHBondContact O-N 3.19Å; N200-T203 VanDerWaalsContact O-N 3.13Å; N200-A204 PolarHBondContact O-N 3.36Å; N200-D418 PolarHBondContact ND2-OD1 3.48Å; N200-D418 PolarHBondContact ND2-OD2 2.89Å
201	E	97.2	Very high	94.5	Very high	8 Å²	8	19.9 Å²	19.9	4%	0.037	11%	0.112	C	C	.	.	H	α-helix	trans	-55.4	-49.4	-178.3	-72.7	162	-162.4	0	0	113.2	K97 V172 P173 T203 A204 A205 V394	K97-E201 IonicContact NZ-OE1 3.62Å; K97-E201 PolarHBondContact NZ-OE1 3.34Å; V172-E201 VanDerWaalsContact C-OE1 3.28Å; V172-E201 WeakPolarHBondContact O-CG 3.3Å; V172-E201 PolarHBondContact O-N 3.3Å; P173-E201 WeakPolarHBondContact CD-OE1 3.38Å; P173-E201 VanDerWaalsContact N-OE1 3.14Å; E201-T203 VanDerWaalsContact C-N 3.28Å; E201-T203 PolarHBondContact O-N 2.73Å; E201-A204 PolarHBondContact O-N 2.77Å; E201-A205 PolarHBondContact O-N 3.16Å; E201-V394 HydrophobicContact CB-CG1 4.13Å; E201-V394 HydrophobicContact CB-CG2 4.31Å; E201-V394 HydrophobicContact CG-CG1 3.86Å
202	P	95.4	Very high	93.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.2	-33.8	177.3	-21.9	34.5	0	0	0	113.1	A174 A205 A206 V222 D224 D231 S233	A174-P202 HydrophobicContact CB-CG 3.95Å; P202-A205 PolarHBondContact O-N 2.96Å; P202-A206 WeakPolarHBondContact O-CB 3.31Å; P202-A206 PolarHBondContact O-N 3.2Å; P202-V222 HydrophobicContact CB-CB 4.03Å; P202-V222 HydrophobicContact CB-CG1 3.81Å; P202-D224 HydrophobicContact CG-CB 4.5Å; P202-D231 HydrophobicContact CG-CB 3.57Å; P202-S233 WeakPolarHBondContact CB-OG 3.23Å
203	T	95.4	Very high	93.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-65.1	-45.7	176.3	-59	0	0	0	0	110.8	I199 N200 E201 A205 A206 I207 L416 D418	I199-T203 HydrophobicContact CD1-CG2 4.42Å; I199-T203 HydrophobicContact CG1-CG2 4.33Å; N200-T203 WeakPolarHBondContact O-CB 3.4Å; N200-T203 PolarHBondContact O-N 3.19Å; N200-T203 VanDerWaalsContact O-N 3.13Å; E201-T203 VanDerWaalsContact C-N 3.28Å; E201-T203 PolarHBondContact O-N 2.73Å; T203-A205 PolarHBondContact O-N 2.82Å; T203-A206 WeakPolarHBondContact O-CB 3.42Å; T203-A206 PolarHBondContact O-N 3.39Å; T203-I207 WeakPolarHBondContact O-CG1 3.37Å; T203-I207 PolarHBondContact O-N 3.22Å; T203-L416 HydrophobicContact CG2-CD1 3.17Å; T203-L416 HydrophobicContact CG2-CD2 3.71Å; T203-L416 HydrophobicContact CG2-CG 4.03Å; T203-D418 WeakPolarHBondContact CB-OD2 3.48Å; T203-D418 PolarHBondContact OG1-OD2 2.88Å
204	A	96.4	Very high	92	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.8	-45.7	174.6	0	0	0	0	0	111.1	I199 N200 E201 A206 I207 A208 V394 G397	I199-A204 HydrophobicContact CD1-CB 4Å; I199-A204 HydrophobicContact CG1-CB 4.34Å; I199-A204 HydrophobicContact CG2-CB 4.3Å; N200-A204 PolarHBondContact O-N 3.36Å; E201-A204 PolarHBondContact O-N 2.77Å; A204-A206 VanDerWaalsContact C-N 3.29Å; A204-A206 PolarHBondContact O-N 3.35Å; A204-I207 WeakPolarHBondContact O-CB 3.36Å; A204-I207 PolarHBondContact O-N 2.93Å; A204-I207 VanDerWaalsContact O-N 3.14Å; A204-A208 PolarHBondContact O-N 3.17Å; A204-V394 HydrophobicContact CB-CG1 4.31Å; A204-V394 WeakPolarHBondContact CB-O 3.46Å; A204-G397 VanDerWaalsContact O-CA 3.24Å; A204-G397 WeakPolarHBondContact O-CA 3.37Å
205	A	96.1	Very high	91.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64	-32.9	177	0	0	0	0	0	113.4	E201 P202 T203 A208 Y209 V222 V362 A393 V394	E201-A205 PolarHBondContact O-N 3.16Å; P202-A205 PolarHBondContact O-N 2.96Å; T203-A205 PolarHBondContact O-N 2.82Å; A205-A208 PolarHBondContact O-N 2.78Å; A205-Y209 PolarHBondContact O-N 3.42Å; A205-V222 HydrophobicContact CB-CG1 4.19Å; A205-V362 HydrophobicContact CB-CB 4.34Å; A205-V362 HydrophobicContact CB-CG1 4Å; A205-V362 HydrophobicContact CB-CG2 3.47Å; A205-V362 VanDerWaalsContact CB-CG2 3.47Å; A205-A393 HydrophobicContact CB-CB 4.22Å; A205-V394 HydrophobicContact CB-CG2 4.35Å
206	A	94.7	Very high	90.8	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-65.4	-40.4	172.8	0	0	0	0	0	112.1	P202 T203 A204 A208 Y209 G210 V222 L235 I237 F242	P202-A206 WeakPolarHBondContact O-CB 3.31Å; P202-A206 PolarHBondContact O-N 3.2Å; T203-A206 WeakPolarHBondContact O-CB 3.42Å; T203-A206 PolarHBondContact O-N 3.39Å; A204-A206 VanDerWaalsContact C-N 3.29Å; A204-A206 PolarHBondContact O-N 3.35Å; A206-A208 VanDerWaalsContact C-N 3.35Å; A206-Y209 PolarHBondContact O-N 3.01Å; A206-G210 PolarHBondContact O-N 3.27Å; A206-V222 HydrophobicContact CB-CG2 4.06Å; A206-L235 HydrophobicContact CB-CD1 3.96Å; A206-L235 HydrophobicContact CB-CD2 3.52Å; A206-L235 HydrophobicContact CB-CG 4.3Å; A206-I237 HydrophobicContact CB-CD1 4.47Å; A206-F242 HydrophobicContact CB-CD1 4.5Å; A206-F242 WeakPolarHBondContact O-CE1 3.41Å
207	I	93.6	Very high	90.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.7	-46.8	172.9	-66.4	167.3	0	0	0	110.2	I199 T203 A204 Y209 G210 L211 F242 V400	I199-I207 HydrophobicContact CD1-CD1 3.89Å; T203-I207 WeakPolarHBondContact O-CG1 3.37Å; T203-I207 PolarHBondContact O-N 3.22Å; A204-I207 WeakPolarHBondContact O-CB 3.36Å; A204-I207 PolarHBondContact O-N 2.93Å; A204-I207 VanDerWaalsContact O-N 3.14Å; I207-Y209 VanDerWaalsContact C-N 3.27Å; I207-Y209 PolarHBondContact O-N 3.15Å; I207-G210 PolarHBondContact O-N 2.82Å; I207-L211 WeakPolarHBondContact O-CB 3.33Å; I207-L211 PolarHBondContact O-N 3.44Å; I207-F242 HydrophobicContact CG1-CD1 4.3Å; I207-F242 HydrophobicContact CG1-CD2 4.44Å; I207-F242 HydrophobicContact CG1-CE1 4.41Å; I207-F242 HydrophobicContact CG1-CG 4.33Å; I207-V400 HydrophobicContact CG2-CB 3.72Å; I207-V400 HydrophobicContact CG2-CG1 3.6Å; I207-V400 HydrophobicContact CG2-CG2 4.14Å
208	A	93.4	Very high	90.8	Very high	23 Å²	23	39.1 Å²	39.1	19%	0.19	20%	0.198	C	C	.	.	H	α-helix	trans	-61.2	-35.5	177.7	0	0	0	0	0	112.9	A204 A205 A206 A393 Y396	A204-A208 PolarHBondContact O-N 3.17Å; A205-A208 PolarHBondContact O-N 2.78Å; A206-A208 VanDerWaalsContact C-N 3.35Å; A208-A393 HydrophobicContact CB-CB 4.28Å; A208-A393 VanDerWaalsContact CB-O 3.25Å; A208-A393 WeakPolarHBondContact CB-O 3.3Å; A208-Y396 HydrophobicContact CB-CD1 3.57Å; A208-Y396 HydrophobicContact CB-CE1 4.41Å; A208-Y396 HydrophobicContact CB-CG 4Å
209	Y	92	Very high	90.9	Very high	20 Å²	20	39.8 Å²	39.8	8%	0.078	20%	0.201	C	C	.	.	H	α-helix	trans	-70.4	-45.6	173.1	170.7	-110.1	0	0	0	113	A205 A206 I207 K213 V220 I237 E358 V360 I388	A205-Y209 PolarHBondContact O-N 3.42Å; A206-Y209 PolarHBondContact O-N 3.01Å; I207-Y209 VanDerWaalsContact C-N 3.27Å; I207-Y209 PolarHBondContact O-N 3.15Å; Y209-K213 HydrophobicContact CE1-CG 4.38Å; Y209-K213 WeakPolarHBondContact O-CG 3.39Å; Y209-V220 HydrophobicContact CD1-CG1 4.02Å; Y209-V220 HydrophobicContact CD1-CG2 4.17Å; Y209-V220 HydrophobicContact CE1-CG1 4.13Å; Y209-V220 HydrophobicContact CE1-CG2 3.74Å; Y209-I237 HydrophobicContact CD1-CD1 4.05Å; Y209-I237 HydrophobicContact CE1-CD1 4.49Å; Y209-E358 HydrophobicContact CE1-CB 4.43Å; Y209-E358 HydrophobicContact CE1-CG 4.44Å; Y209-E358 WeakPolarHBondContact OH-CG 3.4Å; Y209-V360 HydrophobicContact CD1-CG2 4.14Å; Y209-V360 HydrophobicContact CD2-CG2 3.95Å; Y209-V360 HydrophobicContact CE2-CG2 4.37Å; Y209-V360 HydrophobicContact CG-CG2 3.77Å; Y209-I388 HydrophobicContact CD2-CD1 3.53Å; Y209-I388 HydrophobicContact CD2-CG1 4.16Å; Y209-I388 HydrophobicContact CG-CD1 3.97Å
210	G	89.6	Confident	91	Very high	3 Å²	3	39.7 Å²	39.7	3%	0.031	20%	0.2	C	C	.	.	H	α-helix	trans	-90.6	-12.3	-165.3	0	0	0	0	0	115.5	A206 I207 D212 K213	A206-G210 PolarHBondContact O-N 3.27Å; I207-G210 PolarHBondContact O-N 2.82Å; G210-D212 VanDerWaalsContact C-N 3.27Å; G210-D212 PolarHBondContact O-N 2.96Å; G210-D212 VanDerWaalsContact O-N 3.17Å; G210-K213 PolarHBondContact O-N 2.78Å
211	L	85.2	Confident	91.1	Very high	48 Å²	48	39.5 Å²	39.5	25%	0.251	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-44.1	-174.7	-175.1	64	0	0	0	113.2	I207 Y396 V400 I414	I207-L211 WeakPolarHBondContact O-CB 3.33Å; I207-L211 PolarHBondContact O-N 3.44Å; L211-Y396 HydrophobicContact CD2-CE1 4.05Å; L211-V400 HydrophobicContact CD1-CG1 4.22Å; L211-V400 HydrophobicContact CD2-CG2 4.02Å; L211-I414 HydrophobicContact CD1-CD1 3.6Å
212	D	82.3	Confident	91.2	Very high	137 Å²	137	39.1 Å²	39.1	73%	0.733	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.7	3.3	-178.6	-66.1	-38.8	0	0	0	113.6	G210	G210-D212 VanDerWaalsContact C-N 3.27Å; G210-D212 PolarHBondContact O-N 2.96Å; G210-D212 VanDerWaalsContact O-N 3.17Å
213	K	80.9	Confident	91.3	Very high	78 Å²	78	39.1 Å²	39.1	34%	0.339	20%	0.198	S	C	.	.			trans	-89.5	113.9	-174.5	-65.5	-59.8	-169.4	178.8	0	111.3	Y209 G210 E215	Y209-K213 HydrophobicContact CE1-CG 4.38Å; Y209-K213 WeakPolarHBondContact O-CG 3.39Å; G210-K213 PolarHBondContact O-N 2.78Å; K213-E215 IonicContact NZ-OE1 3.53Å; K213-E215 PolarHBondContact NZ-OE1 3.28Å
214	K	72.8	Confident	91.4	Very high	182 Å²	182	39.3 Å²	39.3	79%	0.791	20%	0.199	S	C	*	.			trans	-116.1	27.4	178.4	-60.4	-175.1	-179.9	-178.2	0	112.9	G216	K214-G216 VanDerWaalsContact C-N 3.25Å; K214-G216 PolarHBondContact O-N 2.99Å
215	E	80.3	Confident	91.5	Very high	119 Å²	119	39.3 Å²	39.3	56%	0.556	20%	0.199	S	C	*	.	S	Bend	trans	-89.2	19.9	-169.8	-64	173.7	-148.9	0	0	113.2	K213 K218	K213-E215 IonicContact NZ-OE1 3.53Å; K213-E215 PolarHBondContact NZ-OE1 3.28Å; E215-K218 WeakPolarHBondContact OE2-CE 3.23Å; E215-K218 IonicContact OE2-NZ 2.71Å; E215-K218 PolarHBondContact OE2-NZ 3.42Å
216	G	87.1	Confident	91.6	Very high	34 Å²	34	40 Å²	40	35%	0.351	21%	0.205	S	C	.	.	S	Bend	trans	79.7	-172	-172.6	0	0	0	0	0	113.2	K214 K218	K214-G216 VanDerWaalsContact C-N 3.25Å; K214-G216 PolarHBondContact O-N 2.99Å; G216-K218 PolarHBondContact O-N 2.79Å
217	E	93.9	Very high	91.6	Very high	129 Å²	129	40.8 Å²	40.8	60%	0.603	21%	0.214	S	C	*	.			trans	-62.5	125	-179.9	-173.7	-175.7	-175.4	0	0	111.6	T236 I237 D238	E217-T236 HydrophobicContact CG-CG2 3.61Å; E217-T236 WeakPolarHBondContact OE1-CG2 3.46Å; E217-I237 CarbonylContact C-O 3.53Å; E217-I237 WeakPolarHBondContact CA-O 3.29Å; E217-D238 HydrophobicContact CB-CB 4.24Å; E217-D238 HydrophobicContact CG-CB 4.39Å
218	K	95.3	Very high	91.7	Very high	29 Å²	29	40.8 Å²	40.8	13%	0.126	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	134.1	175.2	-73.5	-169.8	177.8	-175.7	0	111.6	E215 G216 V220 I237 H357 E358	E215-K218 WeakPolarHBondContact OE2-CE 3.23Å; E215-K218 IonicContact OE2-NZ 2.71Å; E215-K218 PolarHBondContact OE2-NZ 3.42Å; G216-K218 PolarHBondContact O-N 2.79Å; K218-V220 HydrophobicContact CB-CG2 4.3Å; K218-I237 PolarHBondContact N-O 3.32Å; K218-I237 PolarHBondContact O-N 2.96Å; K218-H357 HydrophobicContact CB-CB 4.1Å; K218-H357 HydrophobicContact CD-CB 4.3Å; K218-H357 HydrophobicContact CG-CB 4.14Å; K218-E358 HydrophobicContact CD-CG 4.05Å; K218-E358 IonicContact NZ-OE1 2.68Å; K218-E358 PolarHBondContact NZ-OE1 3.08Å
219	N	97	Very high	91.7	Very high	19 Å²	19	40 Å²	40	10%	0.102	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	117.9	165	-54.7	-38.4	0	0	0	110.4	L235 T236 M351 D355 H357 E358	N219-L235 CarbonylContact C-O 3.33Å; N219-L235 VanDerWaalsContact CA-O 3.26Å; N219-L235 WeakPolarHBondContact CA-O 3.2Å; N219-T236 PolarHBondContact OD1-OG1 3.5Å; N219-M351 HydrophobicContact CB-SD 4.18Å; N219-D355 WeakPolarHBondContact CB-O 3.44Å; N219-D355 PolarHBondContact ND2-O 3.25Å; N219-D355 VanDerWaalsContact ND2-O 3.1Å; N219-H357 PolarHBondContact N-ND1 3.32Å; N219-H357 WeakPolarHBondContact O-CB 3.31Å; N219-H357 PolarHBondContact O-N 2.64Å; N219-E358 PolarHBondContact O-N 3.09Å
220	V	96.9	Very high	92	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	125.5	-176.4	-175.9	0	0	0	0	109	Y209 K218 L235 I237 E358 V360	Y209-V220 HydrophobicContact CD1-CG1 4.02Å; Y209-V220 HydrophobicContact CD1-CG2 4.17Å; Y209-V220 HydrophobicContact CE1-CG1 4.13Å; Y209-V220 HydrophobicContact CE1-CG2 3.74Å; K218-V220 HydrophobicContact CB-CG2 4.3Å; V220-L235 PolarHBondContact N-O 3.42Å; V220-L235 PolarHBondContact O-N 2.97Å; V220-I237 HydrophobicContact CB-CD1 4.09Å; V220-I237 HydrophobicContact CG2-CD1 3.63Å; V220-I237 HydrophobicContact CG2-CG1 4.07Å; V220-E358 HydrophobicContact CG1-CB 4.16Å; V220-E358 HydrophobicContact CG2-CB 4.14Å; V220-V360 HydrophobicContact CG1-CB 4.4Å; V220-V360 HydrophobicContact CG1-CG2 3.66Å
221	L	98.2	Very high	92.3	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	117.9	172.3	-175.7	135.8	0	0	0	109.6	F223 V232 S233 L234 V342 V345 V356 E358 I359 V360 F379	L221-F223 HydrophobicContact CD2-CB 4.18Å; L221-V232 HydrophobicContact CD1-CG1 3.97Å; L221-V232 HydrophobicContact CD2-CG1 4Å; L221-V232 HydrophobicContact CG-CG1 3.92Å; L221-S233 WeakPolarHBondContact CA-O 3.47Å; L221-L234 HydrophobicContact CB-CD1 3.92Å; L221-L234 HydrophobicContact CD1-CD1 4.32Å; L221-V342 HydrophobicContact CD1-CG1 4.24Å; L221-V345 HydrophobicContact CD1-CG2 4.12Å; L221-V356 HydrophobicContact CB-CG1 3.74Å; L221-E358 PolarHBondContact N-O 2.89Å; L221-I359 HydrophobicContact CD2-CG2 4.22Å; L221-I359 CarbonylContact O-C 3.42Å; L221-I359 WeakPolarHBondContact O-CA 3.47Å; L221-V360 PolarHBondContact O-N 2.95Å; L221-F379 HydrophobicContact CD1-CE2 4.49Å; L221-F379 HydrophobicContact CD1-CZ 3.76Å; L221-F379 HydrophobicContact CD2-CE2 4.25Å; L221-F379 HydrophobicContact CD2-CZ 4.31Å
222	V	98.1	Very high	92.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	123.9	172.1	-177.5	0	0	0	0	108.3	P202 A205 A206 V232 S233 L235 V360 V362	P202-V222 HydrophobicContact CB-CB 4.03Å; P202-V222 HydrophobicContact CB-CG1 3.81Å; A205-V222 HydrophobicContact CB-CG1 4.19Å; A206-V222 HydrophobicContact CB-CG2 4.06Å; V222-V232 VanDerWaalsContact O-CA 3.29Å; V222-V232 WeakPolarHBondContact O-CA 3.46Å; V222-S233 PolarHBondContact N-O 2.9Å; V222-S233 PolarHBondContact O-N 3.28Å; V222-L235 HydrophobicContact CB-CD1 4.46Å; V222-L235 HydrophobicContact CG2-CD1 3.8Å; V222-V360 WeakPolarHBondContact CA-O 3.43Å; V222-V360 HydrophobicContact CG1-CG1 4.47Å; V222-V360 HydrophobicContact CG2-CB 4.23Å; V222-V360 HydrophobicContact CG2-CG1 4.44Å; V222-V362 HydrophobicContact CG1-CG2 3.77Å
223	F	98.2	Very high	93.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	103.4	175.2	-175.9	-75.9	0	0	0	107.5	L221 L225 F230 V232 T338 V342 V360 L361 V362 T366 V371 V375	L221-F223 HydrophobicContact CD2-CB 4.18Å; F223-L225 HydrophobicContact CD1-CB 4.39Å; F223-L225 HydrophobicContact CE1-CB 3.89Å; F223-L225 HydrophobicContact CE1-CD2 4.36Å; F223-F230 AromaticContact CD1-CE2 3.93Å; F223-F230 HydrophobicContact CD1-CE2 3.93Å; F223-F230 AromaticContact CD2-CE2 3.83Å; F223-F230 HydrophobicContact CD2-CE2 3.83Å; F223-F230 AromaticContact CD2-CZ 3.93Å; F223-F230 HydrophobicContact CD2-CZ 3.93Å; F223-F230 HydrophobicContact CE1-CD2 4.36Å; F223-F230 AromaticContact CE1-CE2 3.57Å; F223-F230 HydrophobicContact CE1-CE2 3.57Å; F223-F230 HydrophobicContact CE1-CZ 4.34Å; F223-F230 AromaticContact CE2-CE2 3.48Å; F223-F230 HydrophobicContact CE2-CE2 3.48Å; F223-F230 VanDerWaalsContact CE2-CE2 3.48Å; F223-F230 AromaticContact CE2-CZ 3.41Å; F223-F230 HydrophobicContact CE2-CZ 3.41Å; F223-F230 VanDerWaalsContact CE2-CZ 3.41Å; F223-F230 HydrophobicContact CG-CE2 4.05Å; F223-F230 HydrophobicContact CZ-CD2 4.36Å; F223-F230 AromaticContact CZ-CE2 3.34Å; F223-F230 HydrophobicContact CZ-CE2 3.34Å; F223-F230 AromaticContact CZ-CZ 3.65Å; F223-F230 HydrophobicContact CZ-CZ 3.65Å; F223-V232 HydrophobicContact CD2-CG2 4.19Å; F223-T338 HydrophobicContact CZ-CG2 4.24Å; F223-V342 HydrophobicContact CD2-CG2 3.76Å; F223-V342 HydrophobicContact CE2-CG2 3.81Å; F223-V360 PolarHBondContact N-O 3.18Å; F223-L361 HydrophobicContact CB-CD2 3.86Å; F223-L361 HydrophobicContact CD1-CD2 4.08Å; F223-L361 HydrophobicContact CG-CD2 4.17Å; F223-V362 PolarHBondContact O-N 3.48Å; F223-T366 HydrophobicContact CD1-CG2 3.89Å; F223-T366 HydrophobicContact CE1-CG2 4.2Å; F223-V371 HydrophobicContact CE1-CG1 3.7Å; F223-V371 HydrophobicContact CZ-CG1 4.04Å; F223-V375 HydrophobicContact CD1-CG2 4.47Å; F223-V375 HydrophobicContact CD2-CG2 3.88Å; F223-V375 HydrophobicContact CE1-CG2 4.29Å; F223-V375 HydrophobicContact CE2-CG2 3.66Å; F223-V375 HydrophobicContact CG-CG2 4.28Å; F223-V375 HydrophobicContact CZ-CG2 3.88Å
224	D	98	Very high	94.4	Very high	5 Å²	5	26.5 Å²	26.5	3%	0.027	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	107.9	-176.8	-167.6	-12.8	0	0	0	110.3	P202 F230 D231 V362	P202-D224 HydrophobicContact CG-CB 4.5Å; D224-F230 CarbonylContact O-C 3.57Å; D224-F230 WeakPolarHBondContact O-CA 3.35Å; D224-F230 WeakPolarHBondContact O-CD2 3.44Å; D224-D231 HydrophobicContact CB-CB 4.46Å; D224-D231 PolarHBondContact N-O 3.46Å; D224-D231 PolarHBondContact O-N 3.19Å; D224-V362 WeakPolarHBondContact CA-O 3.39Å; D224-V362 HydrophobicContact CB-CB 4.04Å; D224-V362 HydrophobicContact CB-CG1 4.47Å
225	L	98.2	Very high	95.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	95.6	176.7	-174	67.2	0	0	0	109	F223 F230 L253 F258 T338 V362 G363 S365 T366 V371	F223-L225 HydrophobicContact CD1-CB 4.39Å; F223-L225 HydrophobicContact CE1-CB 3.89Å; F223-L225 HydrophobicContact CE1-CD2 4.36Å; L225-F230 HydrophobicContact CB-CD2 3.97Å; L225-F230 HydrophobicContact CB-CE2 4.5Å; L225-F230 HydrophobicContact CD1-CB 3.72Å; L225-F230 HydrophobicContact CD1-CD2 3.61Å; L225-F230 HydrophobicContact CD1-CG 3.88Å; L225-F230 HydrophobicContact CG-CD2 4.35Å; L225-L253 HydrophobicContact CD1-CG 4.49Å; L225-F258 HydrophobicContact CD2-CE2 4.1Å; L225-F258 HydrophobicContact CD2-CZ 4.09Å; L225-T338 HydrophobicContact CD1-CG2 4.4Å; L225-T338 HydrophobicContact CD2-CG2 4.48Å; L225-V362 PolarHBondContact N-O 2.67Å; L225-G363 CarbonylContact O-C 3.56Å; L225-S365 VanDerWaalsContact O-CB 3.23Å; L225-S365 WeakPolarHBondContact O-CB 3.46Å; L225-S365 PolarHBondContact O-N 3.5Å; L225-T366 HydrophobicContact CB-CG2 3.86Å; L225-V371 HydrophobicContact CD2-CG1 4.16Å; L225-V371 HydrophobicContact CD2-CG2 4.09Å
226	G	97.2	Very high	96.3	Very high	13 Å²	13	13 Å²	13	13%	0.134	8%	0.08	C	C	.	.			trans	-86.5	-153.7	-176.2	0	0	0	0	0	114.1	T229 G255 S365	G226-T229 PolarHBondContact N-O 3.06Å; G226-G255 PolarHBondContact O-N 3.2Å; G226-S365 PolarHBondContact O-OG 3.16Å
227	G	96.1	Very high	96.7	Very high	17 Å²	17	11.9 Å²	11.9	18%	0.175	7%	0.066	C	C	.	.	S	Bend	trans	-78.9	-32.6	174.8	0	0	0	0	0	113.5	T39 G254 G255 E256	T39-G227 WeakPolarHBondContact OG1-CA 3.39Å; G227-G254 CarbonylContact O-C 3.51Å; G227-G255 PolarHBondContact O-N 2.93Å; G227-E256 PolarHBondContact O-N 3.34Å
228	G	94.9	Very high	96.6	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.054	C	C	.	.	S	Bend	trans	-134.3	-12.1	-175.9	0	0	0	0	0	116.2	R98 L253	R98-G228 VanDerWaalsContact CZ-O 3.27Å; R98-G228 PolarHBondContact NE-O 3.49Å; R98-G228 VanDerWaalsContact NE-O 3.07Å; R98-G228 VanDerWaalsContact NH2-C 3.34Å; R98-G228 VanDerWaalsContact NH2-CA 3.34Å; R98-G228 PolarHBondContact NH2-O 3.43Å; G228-L253 CarbonylContact C-O 3.52Å; G228-L253 PolarHBondContact O-N 3.27Å
229	T	94.4	Very high	96.2	Very high	6 Å²	6	12.2 Å²	12.2	4%	0.037	7%	0.073	C	C	.	.			trans	-132	151.5	-174.1	51	0	0	0	0	110.3	P173 F176 G226 L253	P173-T229 HydrophobicContact CB-CG2 4.12Å; P173-T229 HydrophobicContact CG-CG2 3.54Å; F176-T229 HydrophobicContact CE1-CG2 4.47Å; G226-T229 PolarHBondContact N-O 3.06Å; T229-L253 CarbonylContact C-O 3.58Å; T229-L253 VanDerWaalsContact CA-O 3.26Å; T229-L253 WeakPolarHBondContact CA-O 3.5Å; T229-L253 PolarHBondContact N-O 2.88Å
230	F	97.1	Very high	95.8	Very high	1 Å²	1	12.1 Å²	12.1	0%	0.004	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	121.8	173.3	175.1	-123.8	0	0	0	109.5	F223 D224 L225 V232 G249 D250 L253 T338 P341	F223-F230 AromaticContact CD1-CE2 3.93Å; F223-F230 HydrophobicContact CD1-CE2 3.93Å; F223-F230 AromaticContact CD2-CE2 3.83Å; F223-F230 HydrophobicContact CD2-CE2 3.83Å; F223-F230 AromaticContact CD2-CZ 3.93Å; F223-F230 HydrophobicContact CD2-CZ 3.93Å; F223-F230 HydrophobicContact CE1-CD2 4.36Å; F223-F230 AromaticContact CE1-CE2 3.57Å; F223-F230 HydrophobicContact CE1-CE2 3.57Å; F223-F230 HydrophobicContact CE1-CZ 4.34Å; F223-F230 AromaticContact CE2-CE2 3.48Å; F223-F230 HydrophobicContact CE2-CE2 3.48Å; F223-F230 VanDerWaalsContact CE2-CE2 3.48Å; F223-F230 AromaticContact CE2-CZ 3.41Å; F223-F230 HydrophobicContact CE2-CZ 3.41Å; F223-F230 VanDerWaalsContact CE2-CZ 3.41Å; F223-F230 HydrophobicContact CG-CE2 4.05Å; F223-F230 HydrophobicContact CZ-CD2 4.36Å; F223-F230 AromaticContact CZ-CE2 3.34Å; F223-F230 HydrophobicContact CZ-CE2 3.34Å; F223-F230 AromaticContact CZ-CZ 3.65Å; F223-F230 HydrophobicContact CZ-CZ 3.65Å; D224-F230 CarbonylContact O-C 3.57Å; D224-F230 WeakPolarHBondContact O-CA 3.35Å; D224-F230 WeakPolarHBondContact O-CD2 3.44Å; L225-F230 HydrophobicContact CB-CD2 3.97Å; L225-F230 HydrophobicContact CB-CE2 4.5Å; L225-F230 HydrophobicContact CD1-CB 3.72Å; L225-F230 HydrophobicContact CD1-CD2 3.61Å; L225-F230 HydrophobicContact CD1-CG 3.88Å; L225-F230 HydrophobicContact CG-CD2 4.35Å; F230-V232 HydrophobicContact CE1-CG2 3.81Å; F230-V232 HydrophobicContact CE2-CG2 3.75Å; F230-V232 HydrophobicContact CZ-CG2 3.19Å; F230-G249 CarbonylContact O-C 3.56Å; F230-G249 WeakPolarHBondContact O-CA 3.41Å; F230-D250 PolarHBondContact N-O 3.47Å; F230-D250 PolarHBondContact O-N 3.12Å; F230-L253 HydrophobicContact CB-CB 4.16Å; F230-L253 HydrophobicContact CB-CD2 4.13Å; F230-L253 HydrophobicContact CB-CG 4.25Å; F230-L253 HydrophobicContact CD1-CD2 4.12Å; F230-L253 HydrophobicContact CG-CD2 4.32Å; F230-L253 PolarHBondContact N-O 3.3Å; F230-T338 HydrophobicContact CD1-CG2 4.37Å; F230-T338 VanDerWaalsContact CE1-CA 3.45Å; F230-T338 HydrophobicContact CE1-CG2 4.22Å; F230-T338 VanDerWaalsContact CE1-O 3.22Å; F230-T338 WeakPolarHBondContact CE1-O 3.08Å; F230-T338 HydrophobicContact CE2-CG2 4.42Å; F230-T338 HydrophobicContact CZ-CG2 4.24Å; F230-T338 VanDerWaalsContact CZ-O 3.26Å; F230-T338 WeakPolarHBondContact CZ-O 3.47Å; F230-P341 HydrophobicContact CD1-CG 4.11Å; F230-P341 HydrophobicContact CE1-CB 3.81Å; F230-P341 HydrophobicContact CE1-CG 3.66Å
231	D	95.5	Very high	95.5	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.005	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	147.8	174.4	-68.9	-62	0	0	0	110.8	P173 A174 Y175 P202 D224	P173-D231 WeakPolarHBondContact CA-OD2 3.4Å; P173-D231 WeakPolarHBondContact CB-OD2 2.98Å; A174-D231 HydrophobicContact CB-CB 4.29Å; A174-D231 VanDerWaalsContact N-CG 3.34Å; A174-D231 PolarHBondContact N-OD1 3.02Å; A174-D231 PolarHBondContact N-OD2 3.35Å; Y175-D231 WeakPolarHBondContact CB-OD1 3.39Å; Y175-D231 PolarHBondContact N-OD1 3.09Å; P202-D231 HydrophobicContact CG-CB 3.57Å; D224-D231 HydrophobicContact CB-CB 4.46Å; D224-D231 PolarHBondContact N-O 3.46Å; D224-D231 PolarHBondContact O-N 3.19Å
232	V	97.3	Very high	95.3	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	129	168.4	-170.8	0	0	0	0	107.7	L221 V222 F223 F230 T247 N248 P341 V342 V345	L221-V232 HydrophobicContact CD1-CG1 3.97Å; L221-V232 HydrophobicContact CD2-CG1 4Å; L221-V232 HydrophobicContact CG-CG1 3.92Å; V222-V232 VanDerWaalsContact O-CA 3.29Å; V222-V232 WeakPolarHBondContact O-CA 3.46Å; F223-V232 HydrophobicContact CD2-CG2 4.19Å; F230-V232 HydrophobicContact CE1-CG2 3.81Å; F230-V232 HydrophobicContact CE2-CG2 3.75Å; F230-V232 HydrophobicContact CZ-CG2 3.19Å; V232-T247 WeakPolarHBondContact O-CA 3.45Å; V232-T247 PolarHBondContact O-OG1 2.82Å; V232-N248 PolarHBondContact N-O 3.48Å; V232-N248 PolarHBondContact O-N 3.37Å; V232-N248 VanDerWaalsContact O-O 3.11Å; V232-P341 HydrophobicContact CG2-CB 4.05Å; V232-V342 HydrophobicContact CG1-CG2 4.12Å; V232-V342 HydrophobicContact CG2-CG2 3.79Å; V232-V345 HydrophobicContact CB-CG1 4.33Å; V232-V345 HydrophobicContact CB-CG2 4.44Å; V232-V345 HydrophobicContact CG1-CG1 4.41Å; V232-V345 HydrophobicContact CG1-CG2 3.72Å
233	S	97.8	Very high	95.2	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.007	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	137.7	172.4	-58.2	0	0	0	0	110.1	P202 L221 V222 A246 T247	P202-S233 WeakPolarHBondContact CB-OG 3.23Å; L221-S233 WeakPolarHBondContact CA-O 3.47Å; V222-S233 PolarHBondContact N-O 2.9Å; V222-S233 PolarHBondContact O-N 3.28Å; S233-A246 WeakPolarHBondContact CA-O 3.24Å; S233-T247 PolarHBondContact OG-OG1 3.4Å
234	L	97.9	Very high	95.1	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	122.8	170.4	-172.5	67.9	0	0	0	108	L221 V245 A246 L346 A349 M351 V356	L221-L234 HydrophobicContact CB-CD1 3.92Å; L221-L234 HydrophobicContact CD1-CD1 4.32Å; L234-V245 PolarHBondContact O-N 2.94Å; L234-A246 PolarHBondContact N-O 2.93Å; L234-A246 PolarHBondContact O-N 3.17Å; L234-L346 HydrophobicContact CD2-CD2 4.32Å; L234-A349 HydrophobicContact CD2-CB 3.51Å; L234-M351 HydrophobicContact CD2-CB 4.19Å; L234-M351 HydrophobicContact CD2-CG 4.25Å; L234-M351 HydrophobicContact CD2-SD 3.54Å; L234-M351 VanDerWaalsContact CD2-SD 3.54Å; L234-M351 HydrophobicContact CG-SD 4.43Å; L234-V356 HydrophobicContact CD1-CG2 3.93Å
235	L	97.3	Very high	95.1	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	146.5	-178.3	-58.5	91.7	0	0	0	110.7	A206 N219 V220 V222 I237 E243 V244	A206-L235 HydrophobicContact CB-CD1 3.96Å; A206-L235 HydrophobicContact CB-CD2 3.52Å; A206-L235 HydrophobicContact CB-CG 4.3Å; N219-L235 CarbonylContact C-O 3.33Å; N219-L235 VanDerWaalsContact CA-O 3.26Å; N219-L235 WeakPolarHBondContact CA-O 3.2Å; V220-L235 PolarHBondContact N-O 3.42Å; V220-L235 PolarHBondContact O-N 2.97Å; V222-L235 HydrophobicContact CB-CD1 4.46Å; V222-L235 HydrophobicContact CG2-CD1 3.8Å; L235-I237 HydrophobicContact CB-CG1 4.47Å; L235-E243 CarbonylContact C-O 3.36Å; L235-E243 WeakPolarHBondContact CA-O 3.45Å; L235-E243 WeakPolarHBondContact CB-O 3.43Å; L235-V244 HydrophobicContact CD2-CG2 3.65Å; L235-V244 HydrophobicContact CG-CB 4.5Å; L235-V244 HydrophobicContact CG-CG2 3.99Å
236	T	96.4	Very high	95	Very high	18 Å²	18	20 Å²	20	11%	0.11	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	122.7	163.8	-60.2	0	0	0	0	108	E217 N219 E243	E217-T236 HydrophobicContact CG-CG2 3.61Å; E217-T236 WeakPolarHBondContact OE1-CG2 3.46Å; N219-T236 PolarHBondContact OD1-OG1 3.5Å; T236-E243 PolarHBondContact N-O 2.83Å; T236-E243 PolarHBondContact O-N 2.88Å
237	I	94.3	Very high	94.9	Very high	10 Å²	10	19.4 Å²	19.4	5%	0.051	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	121	179.6	-53.1	-178	0	0	0	108.2	A206 Y209 E217 K218 V220 L235 V241 F242	A206-I237 HydrophobicContact CB-CD1 4.47Å; Y209-I237 HydrophobicContact CD1-CD1 4.05Å; Y209-I237 HydrophobicContact CE1-CD1 4.49Å; E217-I237 CarbonylContact C-O 3.53Å; E217-I237 WeakPolarHBondContact CA-O 3.29Å; K218-I237 PolarHBondContact N-O 3.32Å; K218-I237 PolarHBondContact O-N 2.96Å; V220-I237 HydrophobicContact CB-CD1 4.09Å; V220-I237 HydrophobicContact CG2-CD1 3.63Å; V220-I237 HydrophobicContact CG2-CG1 4.07Å; L235-I237 HydrophobicContact CB-CG1 4.47Å; I237-V241 WeakPolarHBondContact CA-O 3.26Å; I237-F242 HydrophobicContact CB-CD1 4.49Å; I237-F242 HydrophobicContact CD1-CD1 3.87Å; I237-F242 HydrophobicContact CD1-CE1 3.87Å; I237-F242 HydrophobicContact CG1-CD1 3.86Å; I237-F242 HydrophobicContact CG1-CE1 4.22Å; I237-F242 HydrophobicContact CG2-CD1 3.99Å; I237-F242 HydrophobicContact CG2-CE1 3.77Å; I237-F242 HydrophobicContact CG2-CZ 4.24Å
238	D	92.9	Very high	94.7	Very high	66 Å²	66	18.8 Å²	18.8	35%	0.353	11%	0.106	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	108.3	175.2	-177.4	19.8	0	0	0	110.5	E217 G240 V241	E217-D238 HydrophobicContact CB-CB 4.24Å; E217-D238 HydrophobicContact CG-CB 4.39Å; D238-G240 VanDerWaalsContact C-N 3.33Å; D238-G240 PolarHBondContact O-N 3.16Å; D238-G240 VanDerWaalsContact O-N 3.13Å; D238-V241 PolarHBondContact N-O 2.86Å; D238-V241 WeakPolarHBondContact O-CB 3.49Å; D238-V241 PolarHBondContact O-N 3.16Å
239	N	87.2	Confident	94.5	Very high	100 Å²	100	19.3 Å²	19.3	54%	0.535	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.5	47.3	170.7	-64.4	-46.5	0	0	0	115.4
240	G	87.2	Confident	94.3	Very high	16 Å²	16	22.2 Å²	22.2	17%	0.165	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	93	-7.2	179.8	0	0	0	0	0	114.5	D238 F242 I414 V415	D238-G240 VanDerWaalsContact C-N 3.33Å; D238-G240 PolarHBondContact O-N 3.16Å; D238-G240 VanDerWaalsContact O-N 3.13Å; G240-F242 VanDerWaalsContact O-CD2 3.23Å; G240-F242 WeakPolarHBondContact O-CD2 3.18Å; G240-F242 WeakPolarHBondContact O-CE2 3.31Å; G240-I414 WeakPolarHBondContact O-CA 3.46Å; G240-V415 PolarHBondContact O-N 2.82Å
241	V	91.8	Very high	93.9	Very high	55 Å²	55	23 Å²	23	33%	0.333	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	124.8	167.7	-173.5	0	0	0	0	109	I237 D238 V415 L417	I237-V241 WeakPolarHBondContact CA-O 3.26Å; D238-V241 PolarHBondContact N-O 2.86Å; D238-V241 WeakPolarHBondContact O-CB 3.49Å; D238-V241 PolarHBondContact O-N 3.16Å; V241-V415 WeakPolarHBondContact CA-O 3.33Å; V241-V415 HydrophobicContact CG2-CB 4.33Å; V241-L417 HydrophobicContact CG1-CD1 4.45Å
242	F	94.2	Very high	93.7	Very high	1 Å²	1	24.1 Å²	24.1	0%	0.004	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	108.4	177.7	-61.7	-99	0	0	0	108.5	A206 I207 I237 G240 I414 V415 L416 L417	A206-F242 HydrophobicContact CB-CD1 4.5Å; A206-F242 WeakPolarHBondContact O-CE1 3.41Å; I207-F242 HydrophobicContact CG1-CD1 4.3Å; I207-F242 HydrophobicContact CG1-CD2 4.44Å; I207-F242 HydrophobicContact CG1-CE1 4.41Å; I207-F242 HydrophobicContact CG1-CG 4.33Å; I237-F242 HydrophobicContact CB-CD1 4.49Å; I237-F242 HydrophobicContact CD1-CD1 3.87Å; I237-F242 HydrophobicContact CD1-CE1 3.87Å; I237-F242 HydrophobicContact CG1-CD1 3.86Å; I237-F242 HydrophobicContact CG1-CE1 4.22Å; I237-F242 HydrophobicContact CG2-CD1 3.99Å; I237-F242 HydrophobicContact CG2-CE1 3.77Å; I237-F242 HydrophobicContact CG2-CZ 4.24Å; G240-F242 VanDerWaalsContact O-CD2 3.23Å; G240-F242 WeakPolarHBondContact O-CD2 3.18Å; G240-F242 WeakPolarHBondContact O-CE2 3.31Å; F242-I414 HydrophobicContact CD2-CG2 4.17Å; F242-I414 HydrophobicContact CE2-CG2 4.04Å; F242-V415 PolarHBondContact N-O 2.93Å; F242-L416 HydrophobicContact CB-CD1 3.98Å; F242-L417 PolarHBondContact O-N 3.33Å
243	E	95.5	Very high	93.6	Very high	78 Å²	78	24.3 Å²	24.3	36%	0.364	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	118.4	178.6	-177.5	175.8	178	0	0	110.4	L235 T236 V245 L417	L235-E243 CarbonylContact C-O 3.36Å; L235-E243 WeakPolarHBondContact CA-O 3.45Å; L235-E243 WeakPolarHBondContact CB-O 3.43Å; T236-E243 PolarHBondContact N-O 2.83Å; T236-E243 PolarHBondContact O-N 2.88Å; E243-V245 PolarHBondContact O-N 3.01Å; E243-L417 CarbonylContact C-O 3.51Å; E243-L417 WeakPolarHBondContact CA-O 3.35Å; E243-L417 HydrophobicContact CB-CB 4.26Å; E243-L417 HydrophobicContact CB-CD1 4.41Å; E243-L417 HydrophobicContact CG-CB 4.17Å; E243-L417 HydrophobicContact CG-CD1 4.4Å
244	V	96.4	Very high	93.6	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	117.2	171.1	-175.9	0	0	0	0	108.3	L235 L417 D418 V419	L235-V244 HydrophobicContact CD2-CG2 3.65Å; L235-V244 HydrophobicContact CG-CB 4.5Å; L235-V244 HydrophobicContact CG-CG2 3.99Å; V244-L417 PolarHBondContact N-O 3.28Å; V244-D418 HydrophobicContact CG2-CB 4.43Å; V244-V419 HydrophobicContact CB-CG1 4.38Å; V244-V419 HydrophobicContact CB-CG2 4.21Å; V244-V419 HydrophobicContact CG1-CG2 3.69Å; V244-V419 WeakPolarHBondContact O-CG1 3.32Å
245	V	96.8	Very high	93.6	Very high	36 Å²	36	24.3 Å²	24.3	22%	0.218	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-42.8	-179.7	-175.1	0	0	0	0	110.6	L234 E243 A349	L234-V245 PolarHBondContact O-N 2.94Å; E243-V245 PolarHBondContact O-N 3.01Å; V245-A349 HydrophobicContact CB-CB 4.32Å; V245-A349 HydrophobicContact CG1-CB 3.55Å
246	A	96.3	Very high	93.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	146.6	178.3	0	0	0	0	0	111.7	S233 L234 V345 D348 A349 N440	S233-A246 WeakPolarHBondContact CA-O 3.24Å; L234-A246 PolarHBondContact N-O 2.93Å; L234-A246 PolarHBondContact O-N 3.17Å; A246-V345 HydrophobicContact CB-CB 4.14Å; A246-V345 WeakPolarHBondContact CB-O 3.38Å; A246-D348 HydrophobicContact CB-CB 3.78Å; A246-A349 HydrophobicContact CB-CB 4.16Å; A246-N440 WeakPolarHBondContact CA-OD1 3.15Å
247	T	95.3	Very high	93.7	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.006	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	145.5	174.1	-167.4	0	0	0	0	112.4	A174 V232 S233 V419 P421 N440	A174-T247 WeakPolarHBondContact CB-OG1 3.46Å; V232-T247 WeakPolarHBondContact O-CA 3.45Å; V232-T247 PolarHBondContact O-OG1 2.82Å; S233-T247 PolarHBondContact OG-OG1 3.4Å; T247-V419 HydrophobicContact CG2-CG2 4.06Å; T247-P421 HydrophobicContact CG2-CB 3.93Å; T247-N440 PolarHBondContact N-OD1 3.18Å
248	N	92	Very high	93.9	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.021	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	158.2	174.3	-153.5	-102.7	0	0	0	109.9	V232 P341 K344 V345	V232-N248 PolarHBondContact N-O 3.48Å; V232-N248 PolarHBondContact O-N 3.37Å; V232-N248 VanDerWaalsContact O-O 3.11Å; N248-P341 HydrophobicContact CB-CB 4.05Å; N248-K344 HydrophobicContact CB-CB 4.48Å; N248-K344 WeakPolarHBondContact OD1-CD 3.36Å; N248-V345 HydrophobicContact CB-CG1 3.58Å
249	G	91.7	Very high	94.2	Very high	10 Å²	10	21.6 Å²	21.6	10%	0.103	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.4	-171.2	-178.2	0	0	0	0	0	114.1	F230	F230-G249 CarbonylContact O-C 3.56Å; F230-G249 WeakPolarHBondContact O-CA 3.41Å
250	D	90.3	Very high	94.7	Very high	68 Å²	68	18 Å²	18	36%	0.364	10%	0.102	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	110.3	171.9	-170	-20.2	0	0	0	108.7	F230 H252 L253	F230-D250 PolarHBondContact N-O 3.47Å; F230-D250 PolarHBondContact O-N 3.12Å; D250-H252 PolarHBondContact O-N 2.93Å; D250-H252 VanDerWaalsContact O-N 3.15Å; D250-H252 PolarHBondContact OD1-N 3.33Å; D250-L253 HydrophobicContact CB-CB 3.89Å; D250-L253 HydrophobicContact CB-CD2 4.42Å
251	T	88.6	Confident	95.2	Very high	18 Å²	18	21.1 Å²	21.1	11%	0.11	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	6.6	-177.3	62.8	0	0	0	0	113.4	R102 Y175 F176	R102-T251 PolarHBondContact NH2-O 2.96Å; R102-T251 PolarHBondContact NH2-OG1 3.07Å; Y175-T251 HydrophobicContact CD1-CG2 4.43Å; Y175-T251 WeakPolarHBondContact O-CG2 3.42Å; F176-T251 HydrophobicContact CD1-CG2 3.94Å; F176-T251 HydrophobicContact CE1-CG2 4.43Å
252	H	90.5	Very high	95.5	Very high	23 Å²	23	18.5 Å²	18.5	11%	0.106	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.5	39.3	178	-164	-102.3	0	0	0	111.8	R98 N108 D112 D250	R98-H252 PolarHBondContact NH1-CD2 2.94Å; R98-H252 VanDerWaalsContact NH1-CD2 3.28Å; R98-H252 PolarHBondContact NH1-CE1 3.49Å; R98-H252 PolarHBondContact NH1-NE2 3.3Å; R98-H252 VanDerWaalsContact NH1-NE2 3.16Å; R98-H252 VanDerWaalsContact NH2-C 3.28Å; N108-H252 WeakPolarHBondContact ND2-CB 3.41Å; D112-H252 IonicContact OD1-CD2 3.82Å; D112-H252 IonicContact OD1-CE1 2.78Å; D112-H252 PolarHBondContact OD1-CE1 2.9Å; D112-H252 VanDerWaalsContact OD1-CE1 3.3Å; D112-H252 IonicContact OD1-NE2 3.77Å; D112-H252 PolarHBondContact OD1-NE2 2.92Å; D112-H252 IonicContact OD2-CD2 3.46Å; D112-H252 PolarHBondContact OD2-CD2 3.29Å; D112-H252 IonicContact OD2-NE2 3.1Å; D112-H252 PolarHBondContact OD2-NE2 3.37Å; D250-H252 PolarHBondContact O-N 2.93Å; D250-H252 VanDerWaalsContact O-N 3.15Å; D250-H252 PolarHBondContact OD1-N 3.33Å
253	L	95.7	Very high	95.7	Very high	4 Å²	4	18.6 Å²	18.6	2%	0.021	9%	0.093	C	C	.	.			trans	-137.8	124	175.8	177.6	62.4	0	0	0	110.9	L225 G228 T229 F230 D250 D257 F258 L334 T338	L225-L253 HydrophobicContact CD1-CG 4.49Å; G228-L253 CarbonylContact C-O 3.52Å; G228-L253 PolarHBondContact O-N 3.27Å; T229-L253 CarbonylContact C-O 3.58Å; T229-L253 VanDerWaalsContact CA-O 3.26Å; T229-L253 WeakPolarHBondContact CA-O 3.5Å; T229-L253 PolarHBondContact N-O 2.88Å; F230-L253 HydrophobicContact CB-CB 4.16Å; F230-L253 HydrophobicContact CB-CD2 4.13Å; F230-L253 HydrophobicContact CB-CG 4.25Å; F230-L253 HydrophobicContact CD1-CD2 4.12Å; F230-L253 HydrophobicContact CG-CD2 4.32Å; F230-L253 PolarHBondContact N-O 3.3Å; D250-L253 HydrophobicContact CB-CB 3.89Å; D250-L253 HydrophobicContact CB-CD2 4.42Å; L253-D257 VanDerWaalsContact CA-OD2 3.28Å; L253-D257 WeakPolarHBondContact CA-OD2 3.5Å; L253-F258 HydrophobicContact CD1-CE1 4.38Å; L253-L334 HydrophobicContact CD1-CB 4.13Å; L253-L334 HydrophobicContact CD1-CD2 4.09Å; L253-L334 HydrophobicContact CD1-CG 4.5Å; L253-T338 HydrophobicContact CD2-CG2 4.03Å
254	G	97.4	Very high	95.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	-178	-165.7	179.6	0	0	0	0	0	115.1	G227 E256 D257 F258	G227-G254 CarbonylContact O-C 3.51Å; G254-E256 VanDerWaalsContact C-N 3.28Å; G254-E256 PolarHBondContact O-N 3.44Å; G254-D257 PolarHBondContact N-OD2 3.32Å; G254-D257 PolarHBondContact O-N 3.29Å; G254-F258 PolarHBondContact O-N 3Å
255	G	98	Very high	95.9	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.01	10%	0.098	C	C	.	.	H	α-helix	trans	-55.7	-33.1	-178.9	0	0	0	0	0	115.6	G226 G227 F258 D259 K296 S365	G226-G255 PolarHBondContact O-N 3.2Å; G227-G255 PolarHBondContact O-N 2.93Å; G255-F258 PolarHBondContact O-N 3.23Å; G255-D259 PolarHBondContact O-N 2.85Å; G255-K296 PolarHBondContact O-NZ 2.98Å; G255-S365 VanDerWaalsContact CA-OG 3.28Å; G255-S365 WeakPolarHBondContact CA-OG 3.39Å; G255-S365 PolarHBondContact N-OG 3Å
256	E	97.4	Very high	96	Very high	11 Å²	11	17.7 Å²	17.7	5%	0.051	9%	0.088	C	C	.	.	H	α-helix	trans	-69.2	-35.2	178.4	-71.9	-58	118.9	0	0	112	G227 G254 F258 D259 Q260 R289	G227-E256 PolarHBondContact O-N 3.34Å; G254-E256 VanDerWaalsContact C-N 3.28Å; G254-E256 PolarHBondContact O-N 3.44Å; E256-F258 VanDerWaalsContact C-N 3.29Å; E256-F258 PolarHBondContact O-N 3.13Å; E256-D259 PolarHBondContact O-N 3.02Å; E256-Q260 WeakPolarHBondContact O-CB 3.48Å; E256-Q260 PolarHBondContact O-N 2.92Å; E256-R289 IonicContact OE2-NH1 3.17Å; E256-R289 PolarHBondContact OE2-NH1 3.17Å
257	D	98.1	Very high	96.1	Very high	26 Å²	26	18.2 Å²	18.2	14%	0.139	9%	0.091	C	C	.	.	H	α-helix	trans	-66.1	-37.7	176.1	-52	-67.3	0	0	0	110.4	R98 L253 G254 D259 Q260 R261 L334	R98-D257 IonicContact CZ-OD1 3.59Å; R98-D257 IonicContact CZ-OD2 3.89Å; R98-D257 IonicContact NH1-OD1 3.31Å; R98-D257 PolarHBondContact NH1-OD1 2.74Å; R98-D257 IonicContact NH1-OD2 3.23Å; R98-D257 PolarHBondContact NH1-OD2 3.17Å; R98-D257 IonicContact NH2-OD1 3.38Å; R98-D257 IonicContact NH2-OD2 3.13Å; R98-D257 PolarHBondContact NH2-OD2 3.08Å; L253-D257 VanDerWaalsContact CA-OD2 3.28Å; L253-D257 WeakPolarHBondContact CA-OD2 3.5Å; G254-D257 PolarHBondContact N-OD2 3.32Å; G254-D257 PolarHBondContact O-N 3.29Å; D257-D259 VanDerWaalsContact C-N 3.34Å; D257-Q260 PolarHBondContact O-N 2.87Å; D257-R261 VanDerWaalsContact O-CG 3.3Å; D257-R261 WeakPolarHBondContact O-CG 3.4Å; D257-R261 PolarHBondContact O-N 3.32Å; D257-L334 HydrophobicContact CB-CD1 4.03Å
258	F	98.6	Very high	96.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-65.3	-39.7	176.9	-49.4	-31.6	0	0	0	111.8	L225 L253 G254 G255 E256 V262 K296 F327 N331 L334 F335 I368	L225-F258 HydrophobicContact CD2-CE2 4.1Å; L225-F258 HydrophobicContact CD2-CZ 4.09Å; L253-F258 HydrophobicContact CD1-CE1 4.38Å; G254-F258 PolarHBondContact O-N 3Å; G255-F258 PolarHBondContact O-N 3.23Å; E256-F258 VanDerWaalsContact C-N 3.29Å; E256-F258 PolarHBondContact O-N 3.13Å; F258-V262 WeakPolarHBondContact O-CG2 3.43Å; F258-V262 PolarHBondContact O-N 2.88Å; F258-K296 HydrophobicContact CB-CD 4.26Å; F258-F327 HydrophobicContact CB-CE2 4.12Å; F258-F327 HydrophobicContact CB-CZ 4.27Å; F258-N331 WeakPolarHBondContact CA-OD1 3.44Å; F258-N331 HydrophobicContact CD1-CB 4.35Å; F258-L334 HydrophobicContact CD1-CB 4.38Å; F258-L334 HydrophobicContact CD1-CD1 3.91Å; F258-L334 HydrophobicContact CE1-CB 3.82Å; F258-L334 HydrophobicContact CE1-CD1 4.02Å; F258-F335 HydrophobicContact CD1-CD1 4.46Å; F258-F335 AromaticContact CD1-CE1 3.83Å; F258-F335 HydrophobicContact CD1-CE1 3.83Å; F258-F335 HydrophobicContact CD2-CE1 4.05Å; F258-F335 AromaticContact CE1-CD1 3.91Å; F258-F335 HydrophobicContact CE1-CD1 3.91Å; F258-F335 AromaticContact CE1-CE1 3.67Å; F258-F335 HydrophobicContact CE1-CE1 3.67Å; F258-F335 AromaticContact CE2-CE1 3.9Å; F258-F335 HydrophobicContact CE2-CE1 3.9Å; F258-F335 HydrophobicContact CG-CE1 4.04Å; F258-F335 AromaticContact CZ-CD1 3.95Å; F258-F335 HydrophobicContact CZ-CD1 3.95Å; F258-F335 AromaticContact CZ-CE1 3.72Å; F258-F335 HydrophobicContact CZ-CE1 3.72Å; F258-I368 HydrophobicContact CD2-CD1 3.76Å; F258-I368 HydrophobicContact CE2-CD1 3.94Å
259	D	98.4	Very high	96.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-65.5	-44.3	174.6	-71.1	-14.5	0	0	0	110.6	G255 E256 D257 R261 V262 M263 V292 K296	G255-D259 PolarHBondContact O-N 2.85Å; E256-D259 PolarHBondContact O-N 3.02Å; D257-D259 VanDerWaalsContact C-N 3.34Å; D259-R261 VanDerWaalsContact C-N 3.33Å; D259-R261 PolarHBondContact O-N 3.33Å; D259-V262 PolarHBondContact O-N 3Å; D259-V262 VanDerWaalsContact O-N 3.09Å; D259-M263 VanDerWaalsContact O-CG 3.32Å; D259-M263 WeakPolarHBondContact O-CG 3.32Å; D259-M263 PolarHBondContact O-N 3.36Å; D259-V292 HydrophobicContact CB-CG1 4.05Å; D259-K296 WeakPolarHBondContact OD1-CD 3.29Å; D259-K296 WeakPolarHBondContact OD1-CE 3.24Å; D259-K296 IonicContact OD1-NZ 2.77Å; D259-K296 PolarHBondContact OD1-NZ 2.97Å; D259-K296 IonicContact OD2-NZ 2.83Å; D259-K296 PolarHBondContact OD2-NZ 3.09Å
260	Q	97.9	Very high	96.7	Very high	26 Å²	26	26.6 Å²	26.6	12%	0.121	13%	0.126	C	C	.	.	H	α-helix	trans	-60.8	-39.5	179.2	-170.5	58.1	50.1	0	0	112.3	F115 E256 D257 V262 M263 D264	F115-Q260 VanDerWaalsContact CD1-CD 3.5Å; F115-Q260 HydrophobicContact CD1-CG 4.19Å; F115-Q260 HydrophobicContact CE1-CG 4.25Å; F115-Q260 HydrophobicContact CG-CG 4.49Å; E256-Q260 WeakPolarHBondContact O-CB 3.48Å; E256-Q260 PolarHBondContact O-N 2.92Å; D257-Q260 PolarHBondContact O-N 2.87Å; Q260-V262 VanDerWaalsContact C-N 3.32Å; Q260-V262 PolarHBondContact O-N 2.92Å; Q260-M263 PolarHBondContact O-N 3.32Å; Q260-D264 PolarHBondContact NE2-OD1 3.48Å; Q260-D264 WeakPolarHBondContact O-CB 3.4Å; Q260-D264 PolarHBondContact O-N 2.86Å
261	R	98.4	Very high	97.1	Very high	80 Å²	80	27.9 Å²	27.9	30%	0.302	13%	0.128	S	C	.	.	H	α-helix	trans	-61.5	-39.2	174.6	-67.9	-67.5	-171.3	85.1	-1.8	112.5	D257 D259 H265 L330 N331 D333 L334	D257-R261 VanDerWaalsContact O-CG 3.3Å; D257-R261 WeakPolarHBondContact O-CG 3.4Å; D257-R261 PolarHBondContact O-N 3.32Å; D259-R261 VanDerWaalsContact C-N 3.33Å; D259-R261 PolarHBondContact O-N 3.33Å; R261-H265 PolarHBondContact O-N 2.82Å; R261-H265 VanDerWaalsContact O-N 3.17Å; R261-L330 PolarHBondContact NH1-O 2.67Å; R261-N331 VanDerWaalsContact CB-OD1 3.31Å; R261-N331 WeakPolarHBondContact CB-OD1 3.43Å; R261-N331 VanDerWaalsContact CG-OD1 3.29Å; R261-N331 WeakPolarHBondContact CG-OD1 3.22Å; R261-D333 IonicContact CZ-OD1 3.36Å; R261-D333 IonicContact CZ-OD2 2.75Å; R261-D333 IonicContact NH1-OD1 2.76Å; R261-D333 PolarHBondContact NH1-OD1 2.88Å; R261-D333 IonicContact NH1-OD2 2.79Å; R261-D333 PolarHBondContact NH1-OD2 3.25Å; R261-D333 IonicContact NH2-OD1 2.64Å; R261-D333 IonicContact NH2-OD2 2.95Å; R261-D333 PolarHBondContact NH2-OD2 2.96Å; R261-L334 HydrophobicContact CG-CD1 4.18Å
262	V	98.6	Very high	97.5	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.006	16%	0.161	C	C	.	.	H	α-helix	trans	-73.8	-40.6	177.9	177.3	0	0	0	0	111.1	F258 D259 Q260 H265 F266 V292 L322 F327 L330	F258-V262 WeakPolarHBondContact O-CG2 3.43Å; F258-V262 PolarHBondContact O-N 2.88Å; D259-V262 PolarHBondContact O-N 3Å; D259-V262 VanDerWaalsContact O-N 3.09Å; Q260-V262 VanDerWaalsContact C-N 3.32Å; Q260-V262 PolarHBondContact O-N 2.92Å; V262-H265 WeakPolarHBondContact O-CB 3.4Å; V262-H265 PolarHBondContact O-N 3.43Å; V262-F266 HydrophobicContact CG1-CD2 3.7Å; V262-F266 HydrophobicContact CG1-CE2 3.53Å; V262-F266 WeakPolarHBondContact O-CD2 3.39Å; V262-F266 PolarHBondContact O-N 3.11Å; V262-V292 HydrophobicContact CB-CG1 3.7Å; V262-V292 HydrophobicContact CG1-CB 4.44Å; V262-V292 HydrophobicContact CG1-CG1 3.65Å; V262-V292 HydrophobicContact CG1-CG2 3.97Å; V262-L322 HydrophobicContact CG1-CD1 4.37Å; V262-L322 HydrophobicContact CG1-CD2 3.78Å; V262-L322 HydrophobicContact CG2-CD2 4.49Å; V262-F327 HydrophobicContact CG2-CD2 3.67Å; V262-F327 HydrophobicContact CG2-CE2 4.14Å; V262-L330 HydrophobicContact CG2-CD1 4.23Å
263	M	98.4	Very high	97.8	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-58.2	-49.1	173	-71.9	172.2	61.2	0	0	110.9	D259 Q260 H265 F266 I267 V285 L288 R289 V292	D259-M263 VanDerWaalsContact O-CG 3.32Å; D259-M263 WeakPolarHBondContact O-CG 3.32Å; D259-M263 PolarHBondContact O-N 3.36Å; Q260-M263 PolarHBondContact O-N 3.32Å; M263-H265 VanDerWaalsContact C-N 3.27Å; M263-H265 PolarHBondContact O-N 3.24Å; M263-F266 PolarHBondContact O-N 3.07Å; M263-F266 VanDerWaalsContact O-N 3.13Å; M263-I267 HydrophobicContact CB-CD1 4.47Å; M263-I267 WeakPolarHBondContact O-CB 3.21Å; M263-I267 VanDerWaalsContact O-CG1 3.23Å; M263-I267 WeakPolarHBondContact O-CG1 3.07Å; M263-I267 PolarHBondContact O-N 3.25Å; M263-V285 HydrophobicContact CE-CG1 3.73Å; M263-L288 HydrophobicContact CB-CD2 4.43Å; M263-L288 HydrophobicContact CG-CG 4.41Å; M263-R289 HydrophobicContact CE-CB 3.9Å; M263-R289 HydrophobicContact CE-CG 4.49Å; M263-R289 HydrophobicContact SD-CB 3.71Å; M263-R289 HydrophobicContact SD-CG 3.87Å; M263-V292 HydrophobicContact CG-CB 4.25Å; M263-V292 HydrophobicContact CG-CG1 4.2Å; M263-V292 HydrophobicContact CG-CG2 4.07Å
264	D	98	Very high	97.8	Very high	48 Å²	48	45.1 Å²	45.1	26%	0.257	20%	0.201	S	C	.	.	H	α-helix	trans	-57.1	-40.6	176.6	-85.9	9.2	0	0	0	112.3	Q260 K268	Q260-D264 PolarHBondContact NE2-OD1 3.48Å; Q260-D264 WeakPolarHBondContact O-CB 3.4Å; Q260-D264 PolarHBondContact O-N 2.86Å; D264-K268 WeakPolarHBondContact O-CB 3.3Å; D264-K268 WeakPolarHBondContact O-CD 3.45Å; D264-K268 WeakPolarHBondContact O-CG 3.48Å; D264-K268 PolarHBondContact O-N 3.35Å; D264-K268 VanDerWaalsContact O-N 3.09Å
265	H	98.4	Very high	97.7	Very high	47 Å²	47	48.2 Å²	48.2	22%	0.218	23%	0.233	C	C	.	.	H	α-helix	trans	-60.6	-49.6	174.9	175.1	67.6	0	0	0	111.4	R261 V262 M263 K268 L269 K326 L330	R261-H265 PolarHBondContact O-N 2.82Å; R261-H265 VanDerWaalsContact O-N 3.17Å; V262-H265 WeakPolarHBondContact O-CB 3.4Å; V262-H265 PolarHBondContact O-N 3.43Å; M263-H265 VanDerWaalsContact C-N 3.27Å; M263-H265 PolarHBondContact O-N 3.24Å; H265-K268 PolarHBondContact O-N 3.11Å; H265-L269 WeakPolarHBondContact O-CB 3.44Å; H265-L269 PolarHBondContact O-N 3.48Å; H265-K326 VanDerWaalsContact CE1-CE 3.48Å; H265-K326 WeakPolarHBondContact CE1-CE 3.49Å; H265-L330 HydrophobicContact CB-CD1 3.75Å; H265-L330 HydrophobicContact CB-CD2 4.02Å
266	F	98.4	Very high	97.6	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.009	24%	0.243	C	C	.	.	H	α-helix	trans	-72.1	-34.4	-178.6	-75.5	-52.5	0	0	0	113.9	V262 M263 L269 Y270 L288 V292 I307 F318 E320 L322	V262-F266 HydrophobicContact CG1-CD2 3.7Å; V262-F266 HydrophobicContact CG1-CE2 3.53Å; V262-F266 WeakPolarHBondContact O-CD2 3.39Å; V262-F266 PolarHBondContact O-N 3.11Å; M263-F266 PolarHBondContact O-N 3.07Å; M263-F266 VanDerWaalsContact O-N 3.13Å; F266-L269 HydrophobicContact CD1-CD2 4.03Å; F266-L269 HydrophobicContact CE1-CD2 4.25Å; F266-L269 PolarHBondContact O-N 3.02Å; F266-Y270 VanDerWaalsContact O-CB 3.28Å; F266-Y270 WeakPolarHBondContact O-CB 3.31Å; F266-Y270 PolarHBondContact O-N 2.91Å; F266-L288 HydrophobicContact CB-CD1 4.23Å; F266-L288 HydrophobicContact CB-CD2 4.22Å; F266-V292 HydrophobicContact CD2-CG2 4.2Å; F266-I307 HydrophobicContact CD2-CD1 4.13Å; F266-I307 HydrophobicContact CE2-CD1 3.34Å; F266-I307 HydrophobicContact CZ-CD1 3.8Å; F266-F318 HydrophobicContact CB-CE2 4.37Å; F266-F318 HydrophobicContact CB-CZ 3.93Å; F266-F318 AromaticContact CD1-CZ 3.68Å; F266-F318 HydrophobicContact CD1-CZ 3.68Å; F266-F318 HydrophobicContact CE1-CZ 4.36Å; F266-F318 AromaticContact CG-CZ 3.83Å; F266-F318 HydrophobicContact CG-CZ 3.83Å; F266-E320 HydrophobicContact CD1-CB 4.1Å; F266-E320 HydrophobicContact CD1-CG 4.22Å; F266-E320 HydrophobicContact CE1-CB 3.59Å; F266-E320 HydrophobicContact CE1-CG 4.18Å; F266-E320 HydrophobicContact CZ-CB 4.36Å; F266-L322 HydrophobicContact CE2-CB 4.34Å; F266-L322 HydrophobicContact CE2-CD1 4.15Å; F266-L322 HydrophobicContact CE2-CD2 4.37Å; F266-L322 HydrophobicContact CZ-CB 3.95Å; F266-L322 HydrophobicContact CZ-CD1 3.96Å; F266-L322 HydrophobicContact CZ-CG 4.42Å
267	I	97.9	Very high	97.5	Very high	11 Å²	11	51.5 Å²	51.5	6%	0.056	25%	0.248	C	C	.	.	H	α-helix	trans	-59.5	-47.7	171.6	-70.9	163.1	0	0	0	110	M263 Y270 K271 I278 R279 L288	M263-I267 HydrophobicContact CB-CD1 4.47Å; M263-I267 WeakPolarHBondContact O-CB 3.21Å; M263-I267 VanDerWaalsContact O-CG1 3.23Å; M263-I267 WeakPolarHBondContact O-CG1 3.07Å; M263-I267 PolarHBondContact O-N 3.25Å; I267-Y270 PolarHBondContact O-N 3.13Å; I267-K271 WeakPolarHBondContact O-CB 3.48Å; I267-K271 PolarHBondContact O-N 3.06Å; I267-I278 HydrophobicContact CG1-CD1 3.75Å; I267-I278 HydrophobicContact CG1-CG1 3.9Å; I267-I278 HydrophobicContact CG2-CG1 4.49Å; I267-R279 HydrophobicContact CD1-CG 4.07Å; I267-R279 HydrophobicContact CG2-CG 3.85Å; I267-L288 HydrophobicContact CG1-CD2 3.93Å
268	K	98	Very high	97.5	Very high	145 Å²	145	50.3 Å²	50.3	63%	0.63	24%	0.242	S	C	*	.	H	α-helix	trans	-63.8	-41.7	177.1	-72.1	167.6	-172.9	163.9	0	111.6	D264 H265 K272	D264-K268 WeakPolarHBondContact O-CB 3.3Å; D264-K268 WeakPolarHBondContact O-CD 3.45Å; D264-K268 WeakPolarHBondContact O-CG 3.48Å; D264-K268 PolarHBondContact O-N 3.35Å; D264-K268 VanDerWaalsContact O-N 3.09Å; H265-K268 PolarHBondContact O-N 3.11Å; K268-K272 WeakPolarHBondContact O-CB 3.26Å; K268-K272 PolarHBondContact O-N 3.14Å
269	L	97.4	Very high	97.3	Very high	39 Å²	39	57.4 Å²	57.4	20%	0.204	27%	0.269	C	S	.	.	H	α-helix	trans	-64.1	-47.2	178.4	-174.8	63.9	0	0	0	111.7	H265 F266 K272 K273 E320	H265-L269 WeakPolarHBondContact O-CB 3.44Å; H265-L269 PolarHBondContact O-N 3.48Å; F266-L269 HydrophobicContact CD1-CD2 4.03Å; F266-L269 HydrophobicContact CE1-CD2 4.25Å; F266-L269 PolarHBondContact O-N 3.02Å; L269-K272 WeakPolarHBondContact O-CB 3.37Å; L269-K272 PolarHBondContact O-N 3.43Å; L269-K273 HydrophobicContact CD1-CD 4.4Å; L269-K273 HydrophobicContact CD1-CG 4.48Å; L269-K273 HydrophobicContact CG-CD 4.29Å; L269-K273 WeakPolarHBondContact O-CG 3.46Å; L269-K273 PolarHBondContact O-N 3.24Å; L269-E320 HydrophobicContact CD2-CG 4.06Å
270	Y	97.4	Very high	97	Very high	6 Å²	6	66.4 Å²	66.4	2%	0.024	31%	0.308	C	S	.	.	H	α-helix	trans	-61.6	-45.8	178.2	-172.5	-95.1	0	0	0	111	F266 I267 K272 K273 K274 K276 I278 F312 F313 D316 F318	F266-Y270 VanDerWaalsContact O-CB 3.28Å; F266-Y270 WeakPolarHBondContact O-CB 3.31Å; F266-Y270 PolarHBondContact O-N 2.91Å; I267-Y270 PolarHBondContact O-N 3.13Å; Y270-K272 VanDerWaalsContact C-N 3.31Å; Y270-K272 PolarHBondContact O-N 3.32Å; Y270-K273 PolarHBondContact O-N 2.93Å; Y270-K274 HydrophobicContact CD1-CB 4.48Å; Y270-K274 HydrophobicContact CD2-CG 4.22Å; Y270-K274 HydrophobicContact CE1-CB 4.2Å; Y270-K274 HydrophobicContact CE1-CG 4.48Å; Y270-K274 HydrophobicContact CE2-CB 4.48Å; Y270-K274 HydrophobicContact CE2-CG 3.89Å; Y270-K274 WeakPolarHBondContact O-CB 3.24Å; Y270-K274 PolarHBondContact O-N 2.91Å; Y270-K276 HydrophobicContact CD1-CB 4.45Å; Y270-K276 HydrophobicContact CE1-CB 3.83Å; Y270-I278 HydrophobicContact CD1-CG2 3.55Å; Y270-I278 HydrophobicContact CE1-CG2 3.54Å; Y270-I278 HydrophobicContact CG-CG2 4.41Å; Y270-F312 HydrophobicContact CD2-CD1 4.29Å; Y270-F312 HydrophobicContact CD2-CE1 4.19Å; Y270-F312 AromaticContact CE2-CD1 3.86Å; Y270-F312 HydrophobicContact CE2-CD1 3.86Å; Y270-F312 HydrophobicContact CE2-CE1 4.19Å; Y270-F312 HydrophobicContact CG-CE1 4.4Å; Y270-F313 HydrophobicContact CE1-CB 4.43Å; Y270-F313 HydrophobicContact CE1-CD1 4.2Å; Y270-D316 WeakPolarHBondContact OH-CB 3.29Å; Y270-F318 AromaticContact CD2-CD2 3.69Å; Y270-F318 HydrophobicContact CD2-CD2 3.69Å; Y270-F318 HydrophobicContact CD2-CE2 4.15Å; Y270-F318 HydrophobicContact CE2-CD2 4.25Å
271	K	97.2	Very high	96.9	Very high	95 Å²	95	67.9 Å²	67.9	41%	0.413	32%	0.316	S	S	.	.	H	α-helix	trans	-58.9	-40.6	174.2	-172.8	172.8	-174.9	167	0	112.6	I267 G275 K276 D277	I267-K271 WeakPolarHBondContact O-CB 3.48Å; I267-K271 PolarHBondContact O-N 3.06Å; K271-G275 WeakPolarHBondContact O-CA 3.38Å; K271-G275 PolarHBondContact O-N 3.22Å; K271-K276 VanDerWaalsContact CA-O 3.23Å; K271-K276 WeakPolarHBondContact CA-O 3.47Å; K271-K276 WeakPolarHBondContact CB-O 3.38Å; K271-D277 HydrophobicContact CD-CB 4.23Å; K271-D277 IonicContact NZ-OD2 3.21Å; K271-D277 PolarHBondContact NZ-OD2 2.74Å
272	K	97.2	Very high	96.8	Very high	185 Å²	185	66.4 Å²	66.4	80%	0.804	32%	0.315	S	S	*	.	H	α-helix	trans	-65.9	-40.5	175.8	-177.8	-179.1	176.6	-177.9	0	112.5	K268 L269 Y270	K268-K272 WeakPolarHBondContact O-CB 3.26Å; K268-K272 PolarHBondContact O-N 3.14Å; L269-K272 WeakPolarHBondContact O-CB 3.37Å; L269-K272 PolarHBondContact O-N 3.43Å; Y270-K272 VanDerWaalsContact C-N 3.31Å; Y270-K272 PolarHBondContact O-N 3.32Å
273	K	96.8	Very high	96.7	Very high	122 Å²	122	72.6 Å²	72.6	53%	0.53	34%	0.338	S	S	.	.	H	α-helix	trans	-80.6	-39	-176.1	-73.8	-175.2	177.1	-177	0	113.6	L269 Y270 E320	L269-K273 HydrophobicContact CD1-CD 4.4Å; L269-K273 HydrophobicContact CD1-CG 4.48Å; L269-K273 HydrophobicContact CG-CD 4.29Å; L269-K273 WeakPolarHBondContact O-CG 3.46Å; L269-K273 PolarHBondContact O-N 3.24Å; Y270-K273 PolarHBondContact O-N 2.93Å; K273-E320 WeakPolarHBondContact CD-OE1 3.29Å; K273-E320 WeakPolarHBondContact CE-OE1 3.38Å; K273-E320 IonicContact NZ-OE1 2.66Å; K273-E320 PolarHBondContact NZ-OE1 2.9Å; K273-E320 IonicContact NZ-OE2 3.09Å; K273-E320 PolarHBondContact NZ-OE2 3.28Å
274	K	95.4	Very high	96.6	Very high	100 Å²	100	72.5 Å²	72.5	44%	0.435	34%	0.337	S	S	.	.	H	α-helix	trans	-111.9	-11.8	-171.2	-65.1	-71.3	-168.5	151.7	0	113.8	Y270 K276 D316	Y270-K274 HydrophobicContact CD1-CB 4.48Å; Y270-K274 HydrophobicContact CD2-CG 4.22Å; Y270-K274 HydrophobicContact CE1-CB 4.2Å; Y270-K274 HydrophobicContact CE1-CG 4.48Å; Y270-K274 HydrophobicContact CE2-CB 4.48Å; Y270-K274 HydrophobicContact CE2-CG 3.89Å; Y270-K274 WeakPolarHBondContact O-CB 3.24Å; Y270-K274 PolarHBondContact O-N 2.91Å; K274-K276 HydrophobicContact CB-CB 4.5Å; K274-K276 PolarHBondContact O-N 2.72Å; K274-D316 IonicContact NZ-OD1 3.57Å; K274-D316 PolarHBondContact NZ-OD1 3.32Å
275	G	95.9	Very high	96.6	Very high	65 Å²	65	71 Å²	71	67%	0.67	33%	0.33	S	S	*	.	S	Bend	trans	74	5.8	-176	0	0	0	0	0	114.5	K271	K271-G275 WeakPolarHBondContact O-CA 3.38Å; K271-G275 PolarHBondContact O-N 3.22Å
276	K	96	Very high	96.6	Very high	53 Å²	53	68.8 Å²	68.8	23%	0.23	32%	0.32	C	S	.	.			trans	-108.8	140.7	-173	-65.7	179.4	-177.7	-169	0	111.6	Y270 K271 K274 F313 E314 D316	Y270-K276 HydrophobicContact CD1-CB 4.45Å; Y270-K276 HydrophobicContact CE1-CB 3.83Å; K271-K276 VanDerWaalsContact CA-O 3.23Å; K271-K276 WeakPolarHBondContact CA-O 3.47Å; K271-K276 WeakPolarHBondContact CB-O 3.38Å; K274-K276 HydrophobicContact CB-CB 4.5Å; K274-K276 PolarHBondContact O-N 2.72Å; K276-F313 HydrophobicContact CB-CD1 4.02Å; K276-F313 HydrophobicContact CB-CE1 3.87Å; K276-F313 HydrophobicContact CD-CD1 3.98Å; K276-F313 HydrophobicContact CD-CE1 4.1Å; K276-F313 HydrophobicContact CG-CE1 4.36Å; K276-E314 VanDerWaalsContact CD-OE2 3.3Å; K276-E314 WeakPolarHBondContact CD-OE2 3.2Å; K276-E314 WeakPolarHBondContact CE-OE2 3.4Å; K276-E314 IonicContact NZ-OE2 2.8Å; K276-E314 PolarHBondContact NZ-OE2 2.8Å; K276-D316 WeakPolarHBondContact CE-OD2 3.35Å; K276-D316 IonicContact NZ-OD2 2.66Å; K276-D316 PolarHBondContact NZ-OD2 2.66Å
277	D	96	Very high	96.6	Very high	28 Å²	28	70.2 Å²	70.2	15%	0.15	33%	0.326	C	S	.	.			trans	-111.4	101.3	-178.5	-162.4	-25.9	0	0	0	110.5	K271 R279	K271-D277 HydrophobicContact CD-CB 4.23Å; K271-D277 IonicContact NZ-OD2 3.21Å; K271-D277 PolarHBondContact NZ-OD2 2.74Å; D277-R279 PolarHBondContact O-N 2.79Å; D277-R279 WeakPolarHBondContact OD1-CB 3.25Å; D277-R279 IonicContact OD1-CZ 2.88Å; D277-R279 PolarHBondContact OD1-N 3.08Å; D277-R279 IonicContact OD1-NE 2.71Å; D277-R279 PolarHBondContact OD1-NE 3.1Å; D277-R279 IonicContact OD1-NH2 2.74Å; D277-R279 IonicContact OD2-CZ 3.47Å; D277-R279 IonicContact OD2-NE 2.93Å; D277-R279 IonicContact OD2-NH2 3.27Å; D277-R279 PolarHBondContact OD2-NH2 2.83Å
278	I	96.8	Very high	96.6	Very high	2 Å²	2	69.7 Å²	69.7	1%	0.01	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-69.3	-13.4	-173.1	70	170.9	0	0	0	113.9	I267 Y270 K280 D281 A284 V285 L288 F312 F313	I267-I278 HydrophobicContact CG1-CD1 3.75Å; I267-I278 HydrophobicContact CG1-CG1 3.9Å; I267-I278 HydrophobicContact CG2-CG1 4.49Å; Y270-I278 HydrophobicContact CD1-CG2 3.55Å; Y270-I278 HydrophobicContact CE1-CG2 3.54Å; Y270-I278 HydrophobicContact CG-CG2 4.41Å; I278-K280 PolarHBondContact O-N 2.95Å; I278-D281 PolarHBondContact O-N 3.49Å; I278-A284 HydrophobicContact CB-CB 4.32Å; I278-V285 HydrophobicContact CG1-CG2 4.42Å; I278-L288 HydrophobicContact CD1-CD2 3.87Å; I278-F312 HydrophobicContact CD1-CE1 3.75Å; I278-F312 HydrophobicContact CD1-CE2 4.31Å; I278-F312 HydrophobicContact CD1-CZ 3.3Å; I278-F312 HydrophobicContact CG2-CD1 4.46Å; I278-F312 HydrophobicContact CG2-CE1 3.79Å; I278-F312 HydrophobicContact CG2-CZ 4.32Å; I278-F313 HydrophobicContact CB-CD2 4.34Å; I278-F313 HydrophobicContact CB-CG 4.41Å; I278-F313 HydrophobicContact CG2-CB 3.87Å; I278-F313 HydrophobicContact CG2-CD1 4.06Å; I278-F313 HydrophobicContact CG2-CD2 4.19Å; I278-F313 HydrophobicContact CG2-CG 3.76Å
279	R	95	Very high	96.6	Very high	149 Å²	149	63.3 Å²	63.3	56%	0.562	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-62.6	-10.2	-175.8	-68.3	177.9	-69.5	170.2	5.5	113.9	I267 D277	I267-R279 HydrophobicContact CD1-CG 4.07Å; I267-R279 HydrophobicContact CG2-CG 3.85Å; D277-R279 PolarHBondContact O-N 2.79Å; D277-R279 WeakPolarHBondContact OD1-CB 3.25Å; D277-R279 IonicContact OD1-CZ 2.88Å; D277-R279 PolarHBondContact OD1-N 3.08Å; D277-R279 IonicContact OD1-NE 2.71Å; D277-R279 PolarHBondContact OD1-NE 3.1Å; D277-R279 IonicContact OD1-NH2 2.74Å; D277-R279 IonicContact OD2-CZ 3.47Å; D277-R279 IonicContact OD2-NE 2.93Å; D277-R279 IonicContact OD2-NH2 3.27Å; D277-R279 PolarHBondContact OD2-NH2 2.83Å
280	K	92.6	Very high	96.6	Very high	189 Å²	189	66 Å²	66	82%	0.822	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-84.6	-9.5	175	-59.5	-178.5	-179.6	-178.4	0	113.2	I278	I278-K280 PolarHBondContact O-N 2.95Å
281	D	95.9	Very high	96.6	Very high	56 Å²	56	67.2 Å²	67.2	30%	0.299	31%	0.309	S	S	.	.			trans	-122	103.3	-177.6	178.8	-18.2	0	0	0	109.5	I278 R283 A284 V285 F313	I278-D281 PolarHBondContact O-N 3.49Å; D281-R283 PolarHBondContact O-N 3.49Å; D281-R283 WeakPolarHBondContact OD1-CA 3.45Å; D281-R283 VanDerWaalsContact OD1-CB 3.29Å; D281-R283 WeakPolarHBondContact OD1-CB 3.48Å; D281-R283 PolarHBondContact OD1-N 2.84Å; D281-A284 HydrophobicContact CB-CB 3.95Å; D281-A284 PolarHBondContact O-N 3.35Å; D281-A284 PolarHBondContact OD1-N 3.41Å; D281-V285 WeakPolarHBondContact O-CG2 3.37Å; D281-V285 PolarHBondContact O-N 3.1Å; D281-F313 HydrophobicContact CB-CD2 3.89Å; D281-F313 HydrophobicContact CB-CE2 3.61Å
282	N	95.7	Very high	96.7	Very high	50 Å²	50	62.8 Å²	62.8	27%	0.267	29%	0.289	S	S	.	.	H	α-helix	trans	-56.8	-37.5	179.5	-79.6	-25.4	0	0	0	111.9	P89 E90 V285 Q286	P89-N282 HydrophobicContact CB-CB 4.1Å; P89-N282 HydrophobicContact CG-CB 3.74Å; E90-N282 PolarHBondContact OE1-ND2 2.92Å; N282-V285 PolarHBondContact O-N 2.84Å; N282-Q286 VanDerWaalsContact O-CG 3.3Å; N282-Q286 WeakPolarHBondContact O-CG 3.49Å; N282-Q286 PolarHBondContact O-N 2.76Å
283	R	96.2	Very high	96.7	Very high	130 Å²	130	54.6 Å²	54.6	49%	0.491	25%	0.254	S	S	.	.	H	α-helix	trans	-66.4	-44.7	178.9	171.5	167.9	-164.8	-160.4	3.9	111.2	T86 D281 Q286 K287	T86-R283 VanDerWaalsContact O-CG 3.22Å; T86-R283 WeakPolarHBondContact O-CG 3.19Å; D281-R283 PolarHBondContact O-N 3.49Å; D281-R283 WeakPolarHBondContact OD1-CA 3.45Å; D281-R283 VanDerWaalsContact OD1-CB 3.29Å; D281-R283 WeakPolarHBondContact OD1-CB 3.48Å; D281-R283 PolarHBondContact OD1-N 2.84Å; R283-Q286 PolarHBondContact O-N 2.84Å; R283-K287 WeakPolarHBondContact O-CG 3.43Å; R283-K287 PolarHBondContact O-N 3.41Å
284	A	97.3	Very high	96.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.4	-44.9	175.3	0	0	0	0	0	111.4	I278 D281 Q286 K287 L288 F312 F313	I278-A284 HydrophobicContact CB-CB 4.32Å; D281-A284 HydrophobicContact CB-CB 3.95Å; D281-A284 PolarHBondContact O-N 3.35Å; D281-A284 PolarHBondContact OD1-N 3.41Å; A284-Q286 PolarHBondContact O-N 2.85Å; A284-K287 PolarHBondContact O-N 2.92Å; A284-L288 PolarHBondContact O-N 3.45Å; A284-F312 HydrophobicContact CB-CE2 4.36Å; A284-F312 WeakPolarHBondContact CB-O 3.39Å; A284-F312 WeakPolarHBondContact O-CE2 3.47Å; A284-F313 HydrophobicContact CB-CB 4.39Å; A284-F313 HydrophobicContact CB-CD2 4Å
285	V	97.8	Very high	96.9	Very high	16 Å²	16	49.2 Å²	49.2	10%	0.097	23%	0.231	C	C	.	.	H	α-helix	trans	-61.2	-44	177.4	174.9	0	0	0	0	111.7	M263 I278 D281 N282 L288 R289	M263-V285 HydrophobicContact CE-CG1 3.73Å; I278-V285 HydrophobicContact CG1-CG2 4.42Å; D281-V285 WeakPolarHBondContact O-CG2 3.37Å; D281-V285 PolarHBondContact O-N 3.1Å; N282-V285 PolarHBondContact O-N 2.84Å; V285-L288 WeakPolarHBondContact O-CB 3.43Å; V285-L288 PolarHBondContact O-N 3.43Å; V285-R289 PolarHBondContact O-N 3.4Å
286	Q	97.8	Very high	97	Very high	1 Å²	1	47 Å²	47	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-71.3	-34.5	179.4	-64.6	-40.1	-47.4	0	0	113	L85 T86 P89 P117 N282 R283 A284 L288 R289 R290	L85-Q286 HydrophobicContact CD1-CG 4.13Å; L85-Q286 HydrophobicContact CD2-CB 4.38Å; L85-Q286 HydrophobicContact CD2-CG 4.44Å; L85-Q286 HydrophobicContact CG-CB 4.16Å; L85-Q286 HydrophobicContact CG-CG 4.09Å; T86-Q286 HydrophobicContact CG2-CB 4.25Å; P89-Q286 HydrophobicContact CB-CG 3.73Å; P117-Q286 HydrophobicContact CB-CG 4.46Å; P117-Q286 HydrophobicContact CG-CG 4.4Å; N282-Q286 VanDerWaalsContact O-CG 3.3Å; N282-Q286 WeakPolarHBondContact O-CG 3.49Å; N282-Q286 PolarHBondContact O-N 2.76Å; R283-Q286 PolarHBondContact O-N 2.84Å; A284-Q286 PolarHBondContact O-N 2.85Å; Q286-L288 VanDerWaalsContact C-N 3.29Å; Q286-L288 PolarHBondContact O-N 3.02Å; Q286-R289 PolarHBondContact O-N 2.78Å; Q286-R290 PolarHBondContact O-N 3.21Å
287	K	97.7	Very high	97.1	Very high	32 Å²	32	50.1 Å²	50.1	14%	0.139	21%	0.213	C	C	.	.	H	α-helix	trans	-57.9	-44.9	169.2	-76.1	-178.3	176.8	-171	0	110.6	T86 R283 A284 E291 I309 E310 S311	T86-K287 HydrophobicContact CG2-CG 4.12Å; R283-K287 WeakPolarHBondContact O-CG 3.43Å; R283-K287 PolarHBondContact O-N 3.41Å; A284-K287 PolarHBondContact O-N 2.92Å; K287-E291 PolarHBondContact O-N 3.46Å; K287-I309 HydrophobicContact CB-CD1 4.44Å; K287-I309 HydrophobicContact CB-CG2 4.08Å; K287-I309 HydrophobicContact CD-CG2 3.82Å; K287-I309 HydrophobicContact CG-CG2 4.46Å; K287-E310 PolarHBondContact NZ-O 2.77Å; K287-S311 PolarHBondContact NZ-O 3.41Å
288	L	98.3	Very high	97.2	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63	-48.4	176.9	-176.9	62.9	0	0	0	111.6	M263 F266 I267 I278 A284 V285 Q286 R290 E291 V292 I309 F312 F318	M263-L288 HydrophobicContact CB-CD2 4.43Å; M263-L288 HydrophobicContact CG-CG 4.41Å; F266-L288 HydrophobicContact CB-CD1 4.23Å; F266-L288 HydrophobicContact CB-CD2 4.22Å; I267-L288 HydrophobicContact CG1-CD2 3.93Å; I278-L288 HydrophobicContact CD1-CD2 3.87Å; A284-L288 PolarHBondContact O-N 3.45Å; V285-L288 WeakPolarHBondContact O-CB 3.43Å; V285-L288 PolarHBondContact O-N 3.43Å; Q286-L288 VanDerWaalsContact C-N 3.29Å; Q286-L288 PolarHBondContact O-N 3.02Å; L288-R290 VanDerWaalsContact C-N 3.31Å; L288-R290 PolarHBondContact O-N 3.42Å; L288-E291 PolarHBondContact O-N 3.34Å; L288-V292 HydrophobicContact CD1-CG2 3.9Å; L288-V292 HydrophobicContact CG-CG2 4.05Å; L288-V292 WeakPolarHBondContact O-CB 3.49Å; L288-V292 VanDerWaalsContact O-CG2 3.26Å; L288-V292 WeakPolarHBondContact O-CG2 3.39Å; L288-V292 PolarHBondContact O-N 2.95Å; L288-I309 HydrophobicContact CB-CD1 4.43Å; L288-I309 HydrophobicContact CD1-CD1 4.26Å; L288-F312 HydrophobicContact CB-CE2 3.87Å; L288-F312 HydrophobicContact CB-CZ 3.97Å; L288-F312 HydrophobicContact CD1-CZ 4.43Å; L288-F312 HydrophobicContact CD2-CZ 4.37Å; L288-F312 HydrophobicContact CG-CZ 4.49Å; L288-F318 HydrophobicContact CD1-CE1 4.39Å; L288-F318 HydrophobicContact CD1-CZ 4.31Å
289	R	98	Very high	97.3	Very high	12 Å²	12	50.8 Å²	50.8	5%	0.045	22%	0.222	C	C	.	.	H	α-helix	trans	-52	-50.1	178	-178.2	-176.9	-68.9	-83	-5.4	111.2	E256 M263 V285 Q286 E291 V292 E293	E256-R289 IonicContact OE2-NH1 3.17Å; E256-R289 PolarHBondContact OE2-NH1 3.17Å; M263-R289 HydrophobicContact CE-CB 3.9Å; M263-R289 HydrophobicContact CE-CG 4.49Å; M263-R289 HydrophobicContact SD-CB 3.71Å; M263-R289 HydrophobicContact SD-CG 3.87Å; V285-R289 PolarHBondContact O-N 3.4Å; Q286-R289 PolarHBondContact O-N 2.78Å; R289-E291 PolarHBondContact O-N 3.44Å; R289-V292 PolarHBondContact O-N 3.44Å; R289-E293 PolarHBondContact O-N 2.9Å
290	R	97.2	Very high	97.4	Very high	95 Å²	95	45.3 Å²	45.3	36%	0.358	21%	0.207	S	C	.	.	H	α-helix	trans	-58.2	-48.1	-179.6	-173.3	-175.4	70.9	-165.3	0.2	112.5	Q286 L288 K294	Q286-R290 PolarHBondContact O-N 3.21Å; L288-R290 VanDerWaalsContact C-N 3.31Å; L288-R290 PolarHBondContact O-N 3.42Å; R290-K294 WeakPolarHBondContact O-CG 3.42Å; R290-K294 PolarHBondContact O-N 2.96Å
291	E	98.2	Very high	97.6	Very high	32 Å²	32	39.6 Å²	39.6	15%	0.15	20%	0.202	C	C	.	.	H	α-helix	trans	-74.3	-27.4	-179.7	-58.2	-47.2	130.5	0	0	112.6	K287 L288 R289 K294 A295 I307 I309	K287-E291 PolarHBondContact O-N 3.46Å; L288-E291 PolarHBondContact O-N 3.34Å; R289-E291 PolarHBondContact O-N 3.44Å; E291-K294 IonicContact OE1-NZ 3.01Å; E291-K294 PolarHBondContact OE1-NZ 2.85Å; E291-K294 VanDerWaalsContact OE2-CD 3.28Å; E291-K294 WeakPolarHBondContact OE2-CD 3.35Å; E291-K294 IonicContact OE2-NZ 3.99Å; E291-K294 PolarHBondContact OE2-NZ 3.23Å; E291-A295 VanDerWaalsContact O-CB 3.24Å; E291-A295 WeakPolarHBondContact O-CB 3.43Å; E291-A295 PolarHBondContact O-N 3.12Å; E291-I307 HydrophobicContact CB-CG2 3.83Å; E291-I309 HydrophobicContact CB-CD1 4.35Å; E291-I309 HydrophobicContact CB-CG1 4.37Å; E291-I309 HydrophobicContact CG-CD1 4.1Å; E291-I309 HydrophobicContact CG-CG1 3.78Å
292	V	98.5	Very high	97.7	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-66.1	-46.4	171.9	165.2	0	0	0	0	111.5	D259 V262 M263 F266 L288 R289 K294 A295 K296 I307	D259-V292 HydrophobicContact CB-CG1 4.05Å; V262-V292 HydrophobicContact CB-CG1 3.7Å; V262-V292 HydrophobicContact CG1-CB 4.44Å; V262-V292 HydrophobicContact CG1-CG1 3.65Å; V262-V292 HydrophobicContact CG1-CG2 3.97Å; M263-V292 HydrophobicContact CG-CB 4.25Å; M263-V292 HydrophobicContact CG-CG1 4.2Å; M263-V292 HydrophobicContact CG-CG2 4.07Å; F266-V292 HydrophobicContact CD2-CG2 4.2Å; L288-V292 HydrophobicContact CD1-CG2 3.9Å; L288-V292 HydrophobicContact CG-CG2 4.05Å; L288-V292 WeakPolarHBondContact O-CB 3.49Å; L288-V292 VanDerWaalsContact O-CG2 3.26Å; L288-V292 WeakPolarHBondContact O-CG2 3.39Å; L288-V292 PolarHBondContact O-N 2.95Å; R289-V292 PolarHBondContact O-N 3.44Å; V292-K294 VanDerWaalsContact C-N 3.33Å; V292-K294 PolarHBondContact O-N 3.01Å; V292-A295 WeakPolarHBondContact O-CB 3.34Å; V292-A295 PolarHBondContact O-N 3.15Å; V292-K296 PolarHBondContact O-N 3.29Å; V292-I307 HydrophobicContact CG2-CD1 4.44Å
293	E	97.8	Very high	97.8	Very high	14 Å²	14	44.1 Å²	44.1	7%	0.065	23%	0.226	C	C	.	.	H	α-helix	trans	-59.1	-46	176.8	-170.1	-156.9	160.5	0	0	110.5	K82 R289 A295 K296 R297	K82-E293 IonicContact NZ-OE1 3.46Å; K82-E293 PolarHBondContact NZ-OE1 3.01Å; K82-E293 IonicContact NZ-OE2 4Å; K82-E293 PolarHBondContact NZ-OE2 3.37Å; R289-E293 PolarHBondContact O-N 2.9Å; E293-A295 PolarHBondContact O-N 3.24Å; E293-K296 WeakPolarHBondContact O-CB 3.37Å; E293-K296 PolarHBondContact O-N 3.23Å; E293-R297 WeakPolarHBondContact O-CG 3.38Å; E293-R297 PolarHBondContact O-N 3Å; E293-R297 IonicContact OE1-CZ 3.85Å; E293-R297 VanDerWaalsContact OE1-CZ 3.27Å; E293-R297 IonicContact OE1-NE 3.95Å; E293-R297 PolarHBondContact OE1-NE 3.17Å; E293-R297 IonicContact OE1-NH2 3.11Å; E293-R297 PolarHBondContact OE1-NH2 2.71Å
294	K	97.6	Very high	97.9	Very high	106 Å²	106	44.1 Å²	44.1	46%	0.461	23%	0.232	S	C	.	.	H	α-helix	trans	-59.5	-44.5	175.2	-72.1	172.3	-178.3	173.8	0	111.8	R290 E291 V292 R297 A298	R290-K294 WeakPolarHBondContact O-CG 3.42Å; R290-K294 PolarHBondContact O-N 2.96Å; E291-K294 IonicContact OE1-NZ 3.01Å; E291-K294 PolarHBondContact OE1-NZ 2.85Å; E291-K294 VanDerWaalsContact OE2-CD 3.28Å; E291-K294 WeakPolarHBondContact OE2-CD 3.35Å; E291-K294 IonicContact OE2-NZ 3.99Å; E291-K294 PolarHBondContact OE2-NZ 3.23Å; V292-K294 VanDerWaalsContact C-N 3.33Å; V292-K294 PolarHBondContact O-N 3.01Å; K294-R297 PolarHBondContact O-N 2.97Å; K294-A298 WeakPolarHBondContact O-CB 3.34Å; K294-A298 PolarHBondContact O-N 3.29Å
295	A	98.4	Very high	97.9	Very high	2 Å²	2	45.7 Å²	45.7	2%	0.017	24%	0.241	C	C	.	.	H	α-helix	trans	-62.2	-44.4	177.1	0	0	0	0	0	112.1	E291 V292 E293 R297 A298 L299 V305 I307 L322	E291-A295 VanDerWaalsContact O-CB 3.24Å; E291-A295 WeakPolarHBondContact O-CB 3.43Å; E291-A295 PolarHBondContact O-N 3.12Å; V292-A295 WeakPolarHBondContact O-CB 3.34Å; V292-A295 PolarHBondContact O-N 3.15Å; E293-A295 PolarHBondContact O-N 3.24Å; A295-R297 VanDerWaalsContact C-N 3.35Å; A295-R297 PolarHBondContact O-N 3.17Å; A295-A298 PolarHBondContact O-N 2.74Å; A295-L299 WeakPolarHBondContact O-CB 3.49Å; A295-L299 VanDerWaalsContact O-CG 3.29Å; A295-L299 WeakPolarHBondContact O-CG 3.43Å; A295-L299 PolarHBondContact O-N 3.2Å; A295-V305 HydrophobicContact CB-CG1 3.53Å; A295-I307 HydrophobicContact CB-CD1 3.73Å; A295-I307 HydrophobicContact CB-CG1 3.75Å; A295-L322 HydrophobicContact CB-CD2 4.35Å
296	K	98.5	Very high	98	Very high	20 Å²	20	52 Å²	52	9%	0.087	26%	0.263	C	S	.	.	H	α-helix	trans	-55.6	-49	174	175.5	-174	69.3	-157	0	111	G255 F258 D259 V292 E293 L299 S300 F327	G255-K296 PolarHBondContact O-NZ 2.98Å; F258-K296 HydrophobicContact CB-CD 4.26Å; D259-K296 WeakPolarHBondContact OD1-CD 3.29Å; D259-K296 WeakPolarHBondContact OD1-CE 3.24Å; D259-K296 IonicContact OD1-NZ 2.77Å; D259-K296 PolarHBondContact OD1-NZ 2.97Å; D259-K296 IonicContact OD2-NZ 2.83Å; D259-K296 PolarHBondContact OD2-NZ 3.09Å; V292-K296 PolarHBondContact O-N 3.29Å; E293-K296 WeakPolarHBondContact O-CB 3.37Å; E293-K296 PolarHBondContact O-N 3.23Å; K296-L299 PolarHBondContact O-N 3.31Å; K296-S300 PolarHBondContact O-N 2.69Å; K296-F327 HydrophobicContact CB-CE2 4.49Å; K296-F327 HydrophobicContact CD-CE2 4.32Å; K296-F327 HydrophobicContact CD-CZ 4.23Å; K296-F327 HydrophobicContact CG-CE2 3.95Å; K296-F327 HydrophobicContact CG-CZ 3.83Å
297	R	98.1	Very high	98	Very high	117 Å²	117	52.1 Å²	52.1	44%	0.442	26%	0.264	S	S	.	.	H	α-helix	trans	-60	-48.7	177.5	-69.8	174.3	-178.9	-95.1	2	111.3	E293 K294 A295 L299 S300	E293-R297 WeakPolarHBondContact O-CG 3.38Å; E293-R297 PolarHBondContact O-N 3Å; E293-R297 IonicContact OE1-CZ 3.85Å; E293-R297 VanDerWaalsContact OE1-CZ 3.27Å; E293-R297 IonicContact OE1-NE 3.95Å; E293-R297 PolarHBondContact OE1-NE 3.17Å; E293-R297 IonicContact OE1-NH2 3.11Å; E293-R297 PolarHBondContact OE1-NH2 2.71Å; K294-R297 PolarHBondContact O-N 2.97Å; A295-R297 VanDerWaalsContact C-N 3.35Å; A295-R297 PolarHBondContact O-N 3.17Å; R297-L299 VanDerWaalsContact C-N 3.31Å; R297-L299 PolarHBondContact O-N 3.22Å; R297-S300 WeakPolarHBondContact O-CB 3.44Å; R297-S300 PolarHBondContact O-N 3.34Å; R297-S300 VanDerWaalsContact O-N 3.1Å
298	A	98.3	Very high	98	Very high	41 Å²	41	55.7 Å²	55.7	34%	0.339	28%	0.281	S	S	.	.	H	α-helix	trans	-60.2	-38.6	178.7	0	0	0	0	0	112.7	K294 A295 S300 G301 S302 V305	K294-A298 WeakPolarHBondContact O-CB 3.34Å; K294-A298 PolarHBondContact O-N 3.29Å; A295-A298 PolarHBondContact O-N 2.74Å; A298-S300 PolarHBondContact O-N 2.98Å; A298-S300 VanDerWaalsContact O-N 3.17Å; A298-G301 CarbonylContact O-C 3.55Å; A298-G301 PolarHBondContact O-N 3.46Å; A298-S302 PolarHBondContact O-N 2.77Å; A298-V305 HydrophobicContact CB-CB 4.42Å; A298-V305 HydrophobicContact CB-CG2 4.11Å
299	L	98.5	Very high	98	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.016	28%	0.283	C	S	.	.	H	α-helix	trans	-66.1	-14.4	178	-73.4	175.6	0	0	0	114.2	A295 K296 R297 G301 S302 V305 L322 R324 F327	A295-L299 WeakPolarHBondContact O-CB 3.49Å; A295-L299 VanDerWaalsContact O-CG 3.29Å; A295-L299 WeakPolarHBondContact O-CG 3.43Å; A295-L299 PolarHBondContact O-N 3.2Å; K296-L299 PolarHBondContact O-N 3.31Å; R297-L299 VanDerWaalsContact C-N 3.31Å; R297-L299 PolarHBondContact O-N 3.22Å; L299-G301 VanDerWaalsContact C-N 3.29Å; L299-S302 CarbonylContact C-O 3.56Å; L299-S302 WeakPolarHBondContact CA-O 3.45Å; L299-V305 HydrophobicContact CD1-CG1 4.2Å; L299-V305 HydrophobicContact CD2-CB 4.45Å; L299-V305 HydrophobicContact CD2-CG1 4.03Å; L299-V305 HydrophobicContact CG-CG1 3.84Å; L299-L322 HydrophobicContact CD1-CB 4.32Å; L299-L322 HydrophobicContact CD1-CD2 3.54Å; L299-L322 HydrophobicContact CD1-CG 3.67Å; L299-R324 HydrophobicContact CD2-CB 4.19Å; L299-R324 VanDerWaalsContact O-CZ 3.27Å; L299-R324 PolarHBondContact O-NE 2.74Å; L299-R324 PolarHBondContact O-NH2 3.06Å; L299-F327 HydrophobicContact CD1-CB 3.89Å; L299-F327 HydrophobicContact CD1-CG 4.35Å
300	S	97.5	Very high	97.9	Very high	34 Å²	34	63.4 Å²	63.4	24%	0.238	32%	0.318	C	S	.	.	H	α-helix	trans	-70.4	-28.8	170.7	-59.2	0	0	0	0	111.8	K296 R297 A298 P369	K296-S300 PolarHBondContact O-N 2.69Å; R297-S300 WeakPolarHBondContact O-CB 3.44Å; R297-S300 PolarHBondContact O-N 3.34Å; R297-S300 VanDerWaalsContact O-N 3.1Å; A298-S300 PolarHBondContact O-N 2.98Å; A298-S300 VanDerWaalsContact O-N 3.17Å; S300-P369 WeakPolarHBondContact O-CG 3.24Å
301	G	97	Very high	97.8	Very high	69 Å²	69	62.4 Å²	62.4	71%	0.711	33%	0.325	S	S	*	.	H	α-helix	trans	-102.2	-24	174.2	0	0	0	0	0	114.9	A298 L299	A298-G301 CarbonylContact O-C 3.55Å; A298-G301 PolarHBondContact O-N 3.46Å; L299-G301 VanDerWaalsContact C-N 3.29Å
302	S	97.4	Very high	97.7	Very high	61 Å²	61	61.1 Å²	61.1	43%	0.427	32%	0.319	S	S	.	.			trans	-121.9	158	-174.8	-64.5	0	0	0	0	113.2	A298 L299 R324	A298-S302 PolarHBondContact O-N 2.77Å; L299-S302 CarbonylContact C-O 3.56Å; L299-S302 WeakPolarHBondContact CA-O 3.45Å; S302-R324 VanDerWaalsContact C-NH2 3.29Å; S302-R324 PolarHBondContact O-NE 2.78Å; S302-R324 PolarHBondContact O-NH2 2.82Å
303	H	98	Very high	97.6	Very high	141 Å²	141	61.9 Å²	61.9	65%	0.653	32%	0.322	S	S	*	.	S	Bend	trans	-84.9	-19.3	179.2	-71.1	-77.3	0	0	0	114	R324	H303-R324 PolarHBondContact O-N 3.37Å
304	Q	98.1	Very high	97.5	Very high	130 Å²	130	67.5 Å²	67.5	61%	0.607	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-152.5	156.1	176.2	66.6	-178.2	21.2	0	0	110.4	T321 L322 T323	Q304-T321 HydrophobicContact CB-CG2 4.22Å; Q304-L322 CarbonylContact C-O 3.59Å; Q304-L322 VanDerWaalsContact CA-O 3.31Å; Q304-L322 WeakPolarHBondContact CA-O 3.47Å; Q304-T323 HydrophobicContact CB-CG2 4.27Å
305	V	98.2	Very high	97.2	Very high	33 Å²	33	65.2 Å²	65.2	20%	0.2	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	144.7	176	63.4	0	0	0	0	109.2	A295 A298 L299 T321 L322	A295-V305 HydrophobicContact CB-CG1 3.53Å; A298-V305 HydrophobicContact CB-CB 4.42Å; A298-V305 HydrophobicContact CB-CG2 4.11Å; L299-V305 HydrophobicContact CD1-CG1 4.2Å; L299-V305 HydrophobicContact CD2-CB 4.45Å; L299-V305 HydrophobicContact CD2-CG1 4.03Å; L299-V305 HydrophobicContact CG-CG1 3.84Å; V305-T321 WeakPolarHBondContact O-CA 3.5Å; V305-L322 HydrophobicContact CG1-CB 4.15Å; V305-L322 PolarHBondContact N-O 2.89Å; V305-L322 PolarHBondContact O-N 2.96Å
306	R	98	Very high	97.1	Very high	148 Å²	148	66.9 Å²	66.9	56%	0.558	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	131.1	174	-161.8	178.8	179.1	-166.9	-1	108.8	E308 S319	R306-E308 WeakPolarHBondContact CD-OE1 3.3Å; R306-E308 HydrophobicContact CG-CG 3.89Å; R306-E308 IonicContact CZ-OE1 2.78Å; R306-E308 IonicContact NE-OE1 3.61Å; R306-E308 PolarHBondContact NE-OE1 2.73Å; R306-E308 IonicContact NH1-OE1 3.62Å; R306-E308 PolarHBondContact NH1-OE1 3.42Å; R306-E308 IonicContact NH2-OE1 3.56Å; R306-E308 PolarHBondContact NH2-OE1 2.99Å; R306-S319 PolarHBondContact NE-OG 3.44Å; R306-S319 VanDerWaalsContact NE-OG 3.07Å; R306-S319 PolarHBondContact NH2-OG 3.02Å
307	I	98.3	Very high	97	Very high	4 Å²	4	70.8 Å²	70.8	2%	0.021	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	114.4	175.1	-64	169.7	0	0	0	106.9	F266 E291 V292 A295 F318 S319 E320 L322	F266-I307 HydrophobicContact CD2-CD1 4.13Å; F266-I307 HydrophobicContact CE2-CD1 3.34Å; F266-I307 HydrophobicContact CZ-CD1 3.8Å; E291-I307 HydrophobicContact CB-CG2 3.83Å; V292-I307 HydrophobicContact CG2-CD1 4.44Å; A295-I307 HydrophobicContact CB-CD1 3.73Å; A295-I307 HydrophobicContact CB-CG1 3.75Å; I307-F318 HydrophobicContact CB-CE1 4.1Å; I307-F318 HydrophobicContact CG2-CD1 3.96Å; I307-F318 HydrophobicContact CG2-CE1 3.64Å; I307-S319 VanDerWaalsContact O-CA 3.3Å; I307-S319 WeakPolarHBondContact O-CA 3.39Å; I307-E320 PolarHBondContact N-O 3.45Å; I307-E320 PolarHBondContact O-N 2.84Å; I307-L322 HydrophobicContact CD1-CB 4.24Å
308	E	97.8	Very high	97	Very high	106 Å²	106	65.5 Å²	65.5	50%	0.495	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	128.3	-177.9	-62.9	179.5	143.1	0	0	109.7	R306 F318	R306-E308 WeakPolarHBondContact CD-OE1 3.3Å; R306-E308 HydrophobicContact CG-CG 3.89Å; R306-E308 IonicContact CZ-OE1 2.78Å; R306-E308 IonicContact NE-OE1 3.61Å; R306-E308 PolarHBondContact NE-OE1 2.73Å; R306-E308 IonicContact NH1-OE1 3.62Å; R306-E308 PolarHBondContact NH1-OE1 3.42Å; R306-E308 IonicContact NH2-OE1 3.56Å; R306-E308 PolarHBondContact NH2-OE1 2.99Å; E308-F318 CarbonylContact C-O 3.55Å; E308-F318 VanDerWaalsContact CA-O 3.29Å; E308-F318 WeakPolarHBondContact CA-O 3.25Å
309	I	97.8	Very high	96.9	Very high	10 Å²	10	66 Å²	66	5%	0.051	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	112	177	-49.8	169.8	0	0	0	108.4	K287 L288 E291 F312 F318	K287-I309 HydrophobicContact CB-CD1 4.44Å; K287-I309 HydrophobicContact CB-CG2 4.08Å; K287-I309 HydrophobicContact CD-CG2 3.82Å; K287-I309 HydrophobicContact CG-CG2 4.46Å; L288-I309 HydrophobicContact CB-CD1 4.43Å; L288-I309 HydrophobicContact CD1-CD1 4.26Å; E291-I309 HydrophobicContact CB-CD1 4.35Å; E291-I309 HydrophobicContact CB-CG1 4.37Å; E291-I309 HydrophobicContact CG-CD1 4.1Å; E291-I309 HydrophobicContact CG-CG1 3.78Å; I309-F312 HydrophobicContact CB-CB 4.18Å; I309-F312 HydrophobicContact CB-CD2 4.02Å; I309-F312 HydrophobicContact CB-CG 4.39Å; I309-F312 HydrophobicContact CD1-CD2 3.73Å; I309-F312 HydrophobicContact CD1-CE2 3.68Å; I309-F312 HydrophobicContact CG1-CD2 4.48Å; I309-F312 HydrophobicContact CG2-CB 4.1Å; I309-F312 HydrophobicContact CG2-CD2 3.77Å; I309-F312 HydrophobicContact CG2-CG 4.37Å; I309-F318 HydrophobicContact CB-CB 4.12Å; I309-F318 HydrophobicContact CD1-CD1 4.36Å; I309-F318 HydrophobicContact CG1-CD1 4.49Å; I309-F318 PolarHBondContact N-O 2.84Å; I309-F318 PolarHBondContact O-N 3.18Å
310	E	97.1	Very high	96.9	Very high	165 Å²	165	67.3 Å²	67.3	77%	0.771	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	141.1	174.2	-64.5	-177.5	174.1	0	0	111.3	K287 F312 D317	K287-E310 PolarHBondContact NZ-O 2.77Å; E310-F312 VanDerWaalsContact C-N 3.26Å; E310-F312 PolarHBondContact O-N 3.27Å; E310-D317 WeakPolarHBondContact CA-OD1 3.23Å
311	S	94.9	Very high	96.9	Very high	74 Å²	74	69.4 Å²	69.4	52%	0.517	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	44.4	56.1	-179.8	-65.9	0	0	0	0	111.1	K287 D317	K287-S311 PolarHBondContact NZ-O 3.41Å; S311-D317 PolarHBondContact N-OD1 3.42Å
312	F	96.3	Very high	97	Very high	4 Å²	4	66.2 Å²	66.2	2%	0.018	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	-52.6	-170.7	174.8	-125.6	0	0	0	111.8	Y270 I278 A284 L288 I309 E310 D316 F318	Y270-F312 HydrophobicContact CD2-CD1 4.29Å; Y270-F312 HydrophobicContact CD2-CE1 4.19Å; Y270-F312 AromaticContact CE2-CD1 3.86Å; Y270-F312 HydrophobicContact CE2-CD1 3.86Å; Y270-F312 HydrophobicContact CE2-CE1 4.19Å; Y270-F312 HydrophobicContact CG-CE1 4.4Å; I278-F312 HydrophobicContact CD1-CE1 3.75Å; I278-F312 HydrophobicContact CD1-CE2 4.31Å; I278-F312 HydrophobicContact CD1-CZ 3.3Å; I278-F312 HydrophobicContact CG2-CD1 4.46Å; I278-F312 HydrophobicContact CG2-CE1 3.79Å; I278-F312 HydrophobicContact CG2-CZ 4.32Å; A284-F312 HydrophobicContact CB-CE2 4.36Å; A284-F312 WeakPolarHBondContact CB-O 3.39Å; A284-F312 WeakPolarHBondContact O-CE2 3.47Å; L288-F312 HydrophobicContact CB-CE2 3.87Å; L288-F312 HydrophobicContact CB-CZ 3.97Å; L288-F312 HydrophobicContact CD1-CZ 4.43Å; L288-F312 HydrophobicContact CD2-CZ 4.37Å; L288-F312 HydrophobicContact CG-CZ 4.49Å; I309-F312 HydrophobicContact CB-CB 4.18Å; I309-F312 HydrophobicContact CB-CD2 4.02Å; I309-F312 HydrophobicContact CB-CG 4.39Å; I309-F312 HydrophobicContact CD1-CD2 3.73Å; I309-F312 HydrophobicContact CD1-CE2 3.68Å; I309-F312 HydrophobicContact CG1-CD2 4.48Å; I309-F312 HydrophobicContact CG2-CB 4.1Å; I309-F312 HydrophobicContact CG2-CD2 3.77Å; I309-F312 HydrophobicContact CG2-CG 4.37Å; E310-F312 VanDerWaalsContact C-N 3.26Å; E310-F312 PolarHBondContact O-N 3.27Å; F312-D316 WeakPolarHBondContact CB-O 3.44Å; F312-D316 PolarHBondContact N-O 3.38Å; F312-F318 HydrophobicContact CB-CB 3.79Å; F312-F318 HydrophobicContact CD1-CB 3.66Å; F312-F318 AromaticContact CD1-CD2 3.93Å; F312-F318 HydrophobicContact CD1-CD2 3.93Å; F312-F318 HydrophobicContact CD1-CG 4.14Å; F312-F318 HydrophobicContact CD2-CB 4.41Å; F312-F318 HydrophobicContact CE1-CB 4.25Å; F312-F318 AromaticContact CE1-CD2 3.74Å; F312-F318 HydrophobicContact CE1-CD2 3.74Å; F312-F318 HydrophobicContact CE1-CE2 4.47Å; F312-F318 HydrophobicContact CE1-CG 4.25Å; F312-F318 HydrophobicContact CG-CB 3.71Å; F312-F318 HydrophobicContact CG-CG 4.48Å; F312-F318 HydrophobicContact CZ-CD2 4.38Å
313	F	96.5	Very high	97.1	Very high	18 Å²	18	65.8 Å²	65.8	8%	0.079	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	125.5	-179.2	-175.8	-105.5	0	0	0	110	Y270 K276 I278 D281 A284 G315 D316	Y270-F313 HydrophobicContact CE1-CB 4.43Å; Y270-F313 HydrophobicContact CE1-CD1 4.2Å; K276-F313 HydrophobicContact CB-CD1 4.02Å; K276-F313 HydrophobicContact CB-CE1 3.87Å; K276-F313 HydrophobicContact CD-CD1 3.98Å; K276-F313 HydrophobicContact CD-CE1 4.1Å; K276-F313 HydrophobicContact CG-CE1 4.36Å; I278-F313 HydrophobicContact CB-CD2 4.34Å; I278-F313 HydrophobicContact CB-CG 4.41Å; I278-F313 HydrophobicContact CG2-CB 3.87Å; I278-F313 HydrophobicContact CG2-CD1 4.06Å; I278-F313 HydrophobicContact CG2-CD2 4.19Å; I278-F313 HydrophobicContact CG2-CG 3.76Å; D281-F313 HydrophobicContact CB-CD2 3.89Å; D281-F313 HydrophobicContact CB-CE2 3.61Å; A284-F313 HydrophobicContact CB-CB 4.39Å; A284-F313 HydrophobicContact CB-CD2 4Å; F313-G315 PolarHBondContact O-N 3.01Å; F313-G315 VanDerWaalsContact O-N 3.15Å; F313-D316 PolarHBondContact N-O 3.03Å; F313-D316 WeakPolarHBondContact O-CB 3.45Å; F313-D316 PolarHBondContact O-N 2.93Å
314	E	94.3	Very high	97.1	Very high	132 Å²	132	60.9 Å²	60.9	62%	0.617	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	37.2	-177.8	-62.8	177.4	177.2	0	0	114.1	K276 D316	K276-E314 VanDerWaalsContact CD-OE2 3.3Å; K276-E314 WeakPolarHBondContact CD-OE2 3.2Å; K276-E314 WeakPolarHBondContact CE-OE2 3.4Å; K276-E314 IonicContact NZ-OE2 2.8Å; K276-E314 PolarHBondContact NZ-OE2 2.8Å; E314-D316 PolarHBondContact O-N 3.41Å
315	G	93.2	Very high	97.1	Very high	57 Å²	57	58 Å²	58	59%	0.588	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	-7.9	-179.9	0	0	0	0	0	115.5	F313	F313-G315 PolarHBondContact O-N 3.01Å; F313-G315 VanDerWaalsContact O-N 3.15Å
316	D	94.5	Very high	97.1	Very high	38 Å²	38	58.8 Å²	58.8	20%	0.203	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	135.8	171.9	-80	-67.6	0	0	0	110.4	Y270 K274 K276 F312 F313 E314	Y270-D316 WeakPolarHBondContact OH-CB 3.29Å; K274-D316 IonicContact NZ-OD1 3.57Å; K274-D316 PolarHBondContact NZ-OD1 3.32Å; K276-D316 WeakPolarHBondContact CE-OD2 3.35Å; K276-D316 IonicContact NZ-OD2 2.66Å; K276-D316 PolarHBondContact NZ-OD2 2.66Å; F312-D316 WeakPolarHBondContact CB-O 3.44Å; F312-D316 PolarHBondContact N-O 3.38Å; F313-D316 PolarHBondContact N-O 3.03Å; F313-D316 WeakPolarHBondContact O-CB 3.45Å; F313-D316 PolarHBondContact O-N 2.93Å; E314-D316 PolarHBondContact O-N 3.41Å
317	D	96.5	Very high	97.2	Very high	101 Å²	101	51.9 Å²	51.9	54%	0.54	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	154.3	167.4	-60.4	-34.9	0	0	0	111.6	E310 S311	E310-D317 WeakPolarHBondContact CA-OD1 3.23Å; S311-D317 PolarHBondContact N-OD1 3.42Å
318	F	97.9	Very high	97.2	Very high	6 Å²	6	53.8 Å²	53.8	3%	0.026	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128.3	170.7	-176	-86.6	0	0	0	109.6	F266 Y270 L288 I307 E308 I309 F312 E320	F266-F318 HydrophobicContact CB-CE2 4.37Å; F266-F318 HydrophobicContact CB-CZ 3.93Å; F266-F318 AromaticContact CD1-CZ 3.68Å; F266-F318 HydrophobicContact CD1-CZ 3.68Å; F266-F318 HydrophobicContact CE1-CZ 4.36Å; F266-F318 AromaticContact CG-CZ 3.83Å; F266-F318 HydrophobicContact CG-CZ 3.83Å; Y270-F318 AromaticContact CD2-CD2 3.69Å; Y270-F318 HydrophobicContact CD2-CD2 3.69Å; Y270-F318 HydrophobicContact CD2-CE2 4.15Å; Y270-F318 HydrophobicContact CE2-CD2 4.25Å; L288-F318 HydrophobicContact CD1-CE1 4.39Å; L288-F318 HydrophobicContact CD1-CZ 4.31Å; I307-F318 HydrophobicContact CB-CE1 4.1Å; I307-F318 HydrophobicContact CG2-CD1 3.96Å; I307-F318 HydrophobicContact CG2-CE1 3.64Å; E308-F318 CarbonylContact C-O 3.55Å; E308-F318 VanDerWaalsContact CA-O 3.29Å; E308-F318 WeakPolarHBondContact CA-O 3.25Å; I309-F318 HydrophobicContact CB-CB 4.12Å; I309-F318 HydrophobicContact CD1-CD1 4.36Å; I309-F318 HydrophobicContact CG1-CD1 4.49Å; I309-F318 PolarHBondContact N-O 2.84Å; I309-F318 PolarHBondContact O-N 3.18Å; F312-F318 HydrophobicContact CB-CB 3.79Å; F312-F318 HydrophobicContact CD1-CB 3.66Å; F312-F318 AromaticContact CD1-CD2 3.93Å; F312-F318 HydrophobicContact CD1-CD2 3.93Å; F312-F318 HydrophobicContact CD1-CG 4.14Å; F312-F318 HydrophobicContact CD2-CB 4.41Å; F312-F318 HydrophobicContact CE1-CB 4.25Å; F312-F318 AromaticContact CE1-CD2 3.74Å; F312-F318 HydrophobicContact CE1-CD2 3.74Å; F312-F318 HydrophobicContact CE1-CE2 4.47Å; F312-F318 HydrophobicContact CE1-CG 4.25Å; F312-F318 HydrophobicContact CG-CB 3.71Å; F312-F318 HydrophobicContact CG-CG 4.48Å; F312-F318 HydrophobicContact CZ-CD2 4.38Å; F318-E320 HydrophobicContact CD1-CG 4.47Å; F318-E320 HydrophobicContact CE1-CB 3.82Å; F318-E320 HydrophobicContact CE1-CG 3.75Å; F318-E320 HydrophobicContact CE2-CG 3.82Å; F318-E320 HydrophobicContact CZ-CB 3.82Å; F318-E320 HydrophobicContact CZ-CG 3.38Å
319	S	97.8	Very high	97.2	Very high	51 Å²	51	54.7 Å²	54.7	36%	0.357	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	105.8	174.1	158.9	0	0	0	0	109.1	R306 I307	R306-S319 PolarHBondContact NE-OG 3.44Å; R306-S319 VanDerWaalsContact NE-OG 3.07Å; R306-S319 PolarHBondContact NH2-OG 3.02Å; I307-S319 VanDerWaalsContact O-CA 3.3Å; I307-S319 WeakPolarHBondContact O-CA 3.39Å
320	E	98.2	Very high	97.3	Very high	32 Å²	32	55.8 Å²	55.8	15%	0.15	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	154.5	177.7	-62.3	-66.6	167.6	0	0	110.8	F266 L269 K273 I307 F318	F266-E320 HydrophobicContact CD1-CB 4.1Å; F266-E320 HydrophobicContact CD1-CG 4.22Å; F266-E320 HydrophobicContact CE1-CB 3.59Å; F266-E320 HydrophobicContact CE1-CG 4.18Å; F266-E320 HydrophobicContact CZ-CB 4.36Å; L269-E320 HydrophobicContact CD2-CG 4.06Å; K273-E320 WeakPolarHBondContact CD-OE1 3.29Å; K273-E320 WeakPolarHBondContact CE-OE1 3.38Å; K273-E320 IonicContact NZ-OE1 2.66Å; K273-E320 PolarHBondContact NZ-OE1 2.9Å; K273-E320 IonicContact NZ-OE2 3.09Å; K273-E320 PolarHBondContact NZ-OE2 3.28Å; I307-E320 PolarHBondContact N-O 3.45Å; I307-E320 PolarHBondContact O-N 2.84Å; F318-E320 HydrophobicContact CD1-CG 4.47Å; F318-E320 HydrophobicContact CE1-CB 3.82Å; F318-E320 HydrophobicContact CE1-CG 3.75Å; F318-E320 HydrophobicContact CE2-CG 3.82Å; F318-E320 HydrophobicContact CZ-CB 3.82Å; F318-E320 HydrophobicContact CZ-CG 3.38Å
321	T	98.2	Very high	97.3	Very high	78 Å²	78	48 Å²	48	48%	0.479	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	128.4	174.9	-59.9	0	0	0	0	110	Q304 V305	Q304-T321 HydrophobicContact CB-CG2 4.22Å; V305-T321 WeakPolarHBondContact O-CA 3.5Å
322	L	98.7	Very high	97.5	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	122.8	168.4	-171.5	62.8	0	0	0	109.2	V262 F266 A295 L299 Q304 V305 I307 K326 F327	V262-L322 HydrophobicContact CG1-CD1 4.37Å; V262-L322 HydrophobicContact CG1-CD2 3.78Å; V262-L322 HydrophobicContact CG2-CD2 4.49Å; F266-L322 HydrophobicContact CE2-CB 4.34Å; F266-L322 HydrophobicContact CE2-CD1 4.15Å; F266-L322 HydrophobicContact CE2-CD2 4.37Å; F266-L322 HydrophobicContact CZ-CB 3.95Å; F266-L322 HydrophobicContact CZ-CD1 3.96Å; F266-L322 HydrophobicContact CZ-CG 4.42Å; A295-L322 HydrophobicContact CB-CD2 4.35Å; L299-L322 HydrophobicContact CD1-CB 4.32Å; L299-L322 HydrophobicContact CD1-CD2 3.54Å; L299-L322 HydrophobicContact CD1-CG 3.67Å; Q304-L322 CarbonylContact C-O 3.59Å; Q304-L322 VanDerWaalsContact CA-O 3.31Å; Q304-L322 WeakPolarHBondContact CA-O 3.47Å; V305-L322 HydrophobicContact CG1-CB 4.15Å; V305-L322 PolarHBondContact N-O 2.89Å; V305-L322 PolarHBondContact O-N 2.96Å; I307-L322 HydrophobicContact CD1-CB 4.24Å; L322-K326 HydrophobicContact CD1-CB 4.31Å; L322-K326 HydrophobicContact CD1-CG 4.24Å; L322-F327 HydrophobicContact CD2-CB 4.48Å
323	T	98.6	Very high	97.6	Very high	52 Å²	52	51 Å²	51	32%	0.319	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	152.7	171.2	68.5	0	0	0	0	110.2	Q304 A325 K326 F327	Q304-T323 HydrophobicContact CB-CG2 4.27Å; T323-A325 VanDerWaalsContact C-N 3.26Å; T323-A325 PolarHBondContact O-N 3.02Å; T323-K326 PolarHBondContact O-N 3.06Å; T323-K326 VanDerWaalsContact O-N 3.1Å; T323-K326 WeakPolarHBondContact OG1-CB 3.4Å; T323-K326 PolarHBondContact OG1-N 3.46Å; T323-K326 VanDerWaalsContact OG1-N 3.14Å; T323-F327 PolarHBondContact O-N 2.94Å
324	R	98.6	Very high	97.7	Very high	39 Å²	39	51.3 Å²	51.3	15%	0.147	29%	0.289	C	S	.	.	H	α-helix	trans	-56.9	-42.9	173.9	-174.7	-174.9	-64.7	169.7	-2.5	111	L299 S302 H303 K326 F327 E328	L299-R324 HydrophobicContact CD2-CB 4.19Å; L299-R324 VanDerWaalsContact O-CZ 3.27Å; L299-R324 PolarHBondContact O-NE 2.74Å; L299-R324 PolarHBondContact O-NH2 3.06Å; S302-R324 VanDerWaalsContact C-NH2 3.29Å; S302-R324 PolarHBondContact O-NE 2.78Å; S302-R324 PolarHBondContact O-NH2 2.82Å; H303-R324 PolarHBondContact O-N 3.37Å; R324-K326 VanDerWaalsContact C-N 3.28Å; R324-K326 PolarHBondContact O-N 3.37Å; R324-F327 WeakPolarHBondContact O-CB 3.07Å; R324-F327 PolarHBondContact O-N 3.05Å; R324-E328 WeakPolarHBondContact CD-OE1 3.39Å; R324-E328 HydrophobicContact CG-CG 4.33Å; R324-E328 WeakPolarHBondContact CG-OE1 3.4Å; R324-E328 WeakPolarHBondContact O-CB 3.4Å; R324-E328 WeakPolarHBondContact O-CG 3.33Å; R324-E328 PolarHBondContact O-N 3.41Å
325	A	98.5	Very high	97.9	Very high	69 Å²	69	45 Å²	45	57%	0.57	26%	0.26	S	S	*	.	H	α-helix	trans	-58.5	-40.3	176.9	0	0	0	0	0	112.1	T323 E329	T323-A325 VanDerWaalsContact C-N 3.26Å; T323-A325 PolarHBondContact O-N 3.02Å; A325-E329 WeakPolarHBondContact O-CB 3.48Å; A325-E329 PolarHBondContact O-N 3.26Å
326	K	98.6	Very high	98.1	Very high	49 Å²	49	49.6 Å²	49.6	21%	0.213	26%	0.259	C	S	.	.	H	α-helix	trans	-70	-42.5	176.7	-173.6	51.6	170.3	175.3	0	112.1	H265 L322 T323 R324 E328 E329 L330	H265-K326 VanDerWaalsContact CE1-CE 3.48Å; H265-K326 WeakPolarHBondContact CE1-CE 3.49Å; L322-K326 HydrophobicContact CD1-CB 4.31Å; L322-K326 HydrophobicContact CD1-CG 4.24Å; T323-K326 PolarHBondContact O-N 3.06Å; T323-K326 VanDerWaalsContact O-N 3.1Å; T323-K326 WeakPolarHBondContact OG1-CB 3.4Å; T323-K326 PolarHBondContact OG1-N 3.46Å; T323-K326 VanDerWaalsContact OG1-N 3.14Å; R324-K326 VanDerWaalsContact C-N 3.28Å; R324-K326 PolarHBondContact O-N 3.37Å; K326-E328 VanDerWaalsContact C-N 3.32Å; K326-E328 PolarHBondContact O-N 3.42Å; K326-E329 WeakPolarHBondContact CD-OE2 3.28Å; K326-E329 IonicContact NZ-OE1 2.71Å; K326-E329 PolarHBondContact NZ-OE1 3.1Å; K326-E329 IonicContact NZ-OE2 3.91Å; K326-E329 PolarHBondContact NZ-OE2 3.08Å; K326-E329 PolarHBondContact O-N 3.15Å; K326-L330 HydrophobicContact CD-CG 4.33Å; K326-L330 HydrophobicContact CG-CD1 4.26Å; K326-L330 VanDerWaalsContact O-CG 3.26Å; K326-L330 WeakPolarHBondContact O-CG 3.4Å; K326-L330 PolarHBondContact O-N 2.94Å
327	F	98.8	Very high	98.3	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.018	26%	0.261	C	S	.	.	H	α-helix	trans	-57.4	-45.5	173.8	169.4	-107	0	0	0	111.9	F258 V262 K296 L299 L322 T323 R324 L330 N331 F335 I368	F258-F327 HydrophobicContact CB-CE2 4.12Å; F258-F327 HydrophobicContact CB-CZ 4.27Å; V262-F327 HydrophobicContact CG2-CD2 3.67Å; V262-F327 HydrophobicContact CG2-CE2 4.14Å; K296-F327 HydrophobicContact CB-CE2 4.49Å; K296-F327 HydrophobicContact CD-CE2 4.32Å; K296-F327 HydrophobicContact CD-CZ 4.23Å; K296-F327 HydrophobicContact CG-CE2 3.95Å; K296-F327 HydrophobicContact CG-CZ 3.83Å; L299-F327 HydrophobicContact CD1-CB 3.89Å; L299-F327 HydrophobicContact CD1-CG 4.35Å; L322-F327 HydrophobicContact CD2-CB 4.48Å; T323-F327 PolarHBondContact O-N 2.94Å; R324-F327 WeakPolarHBondContact O-CB 3.07Å; R324-F327 PolarHBondContact O-N 3.05Å; F327-L330 PolarHBondContact O-N 2.92Å; F327-N331 WeakPolarHBondContact CD2-ND2 3.28Å; F327-N331 VanDerWaalsContact CE2-ND2 3.32Å; F327-N331 WeakPolarHBondContact CE2-ND2 3.29Å; F327-N331 PolarHBondContact O-N 2.56Å; F327-N331 PolarHBondContact O-ND2 2.96Å; F327-F335 HydrophobicContact CE1-CE2 4.23Å; F327-F335 AromaticContact CE1-CZ 3.68Å; F327-F335 HydrophobicContact CE1-CZ 3.68Å; F327-F335 AromaticContact CZ-CZ 3.79Å; F327-F335 HydrophobicContact CZ-CZ 3.79Å; F327-I368 HydrophobicContact CE1-CD1 4.22Å; F327-I368 HydrophobicContact CE1-CG1 4.41Å; F327-I368 HydrophobicContact CE1-CG2 4.01Å; F327-I368 HydrophobicContact CZ-CD1 3.99Å
328	E	98.6	Very high	98.4	Very high	44 Å²	44	44.6 Å²	44.6	21%	0.206	24%	0.235	C	C	.	.	H	α-helix	trans	-64.3	-42.9	176.6	-71.5	176.3	-168.7	0	0	112.1	R324 K326 L330 N331 L332 F335 K370	R324-E328 WeakPolarHBondContact CD-OE1 3.39Å; R324-E328 HydrophobicContact CG-CG 4.33Å; R324-E328 WeakPolarHBondContact CG-OE1 3.4Å; R324-E328 WeakPolarHBondContact O-CB 3.4Å; R324-E328 WeakPolarHBondContact O-CG 3.33Å; R324-E328 PolarHBondContact O-N 3.41Å; K326-E328 VanDerWaalsContact C-N 3.32Å; K326-E328 PolarHBondContact O-N 3.42Å; E328-L330 VanDerWaalsContact C-N 3.32Å; E328-L330 PolarHBondContact O-N 2.96Å; E328-N331 CarbonylContact O-C 3.54Å; E328-N331 PolarHBondContact O-N 3.21Å; E328-L332 WeakPolarHBondContact O-CA 3.39Å; E328-L332 WeakPolarHBondContact O-CB 3.38Å; E328-L332 PolarHBondContact O-N 2.82Å; E328-F335 HydrophobicContact CG-CE2 4.47Å; E328-K370 HydrophobicContact CG-CB 3.87Å; E328-K370 HydrophobicContact CG-CG 4.13Å
329	E	98.5	Very high	98.4	Very high	124 Å²	124	45.8 Å²	45.8	58%	0.579	24%	0.242	S	C	*	.	H	α-helix	trans	-57.7	-43.5	175.9	-172.5	-153.6	138.5	0	0	111.9	A325 K326 N331	A325-E329 WeakPolarHBondContact O-CB 3.48Å; A325-E329 PolarHBondContact O-N 3.26Å; K326-E329 WeakPolarHBondContact CD-OE2 3.28Å; K326-E329 IonicContact NZ-OE1 2.71Å; K326-E329 PolarHBondContact NZ-OE1 3.1Å; K326-E329 IonicContact NZ-OE2 3.91Å; K326-E329 PolarHBondContact NZ-OE2 3.08Å; K326-E329 PolarHBondContact O-N 3.15Å; E329-N331 PolarHBondContact O-N 2.83Å
330	L	98.6	Very high	98.4	Very high	34 Å²	34	50.1 Å²	50.1	18%	0.178	25%	0.254	C	S	.	.	H	α-helix	trans	-67.9	-21.7	-178.3	-69.8	170.7	0	0	0	113.9	R261 V262 H265 K326 F327 E328	R261-L330 PolarHBondContact NH1-O 2.67Å; V262-L330 HydrophobicContact CG2-CD1 4.23Å; H265-L330 HydrophobicContact CB-CD1 3.75Å; H265-L330 HydrophobicContact CB-CD2 4.02Å; K326-L330 HydrophobicContact CD-CG 4.33Å; K326-L330 HydrophobicContact CG-CD1 4.26Å; K326-L330 VanDerWaalsContact O-CG 3.26Å; K326-L330 WeakPolarHBondContact O-CG 3.4Å; K326-L330 PolarHBondContact O-N 2.94Å; F327-L330 PolarHBondContact O-N 2.92Å; E328-L330 VanDerWaalsContact C-N 3.32Å; E328-L330 PolarHBondContact O-N 2.96Å
331	N	98.8	Very high	98.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-123.2	3.6	-171	-68	-64	0	0	0	113.8	F258 R261 F327 E328 E329 D333 L334 F335	F258-N331 WeakPolarHBondContact CA-OD1 3.44Å; F258-N331 HydrophobicContact CD1-CB 4.35Å; R261-N331 VanDerWaalsContact CB-OD1 3.31Å; R261-N331 WeakPolarHBondContact CB-OD1 3.43Å; R261-N331 VanDerWaalsContact CG-OD1 3.29Å; R261-N331 WeakPolarHBondContact CG-OD1 3.22Å; F327-N331 WeakPolarHBondContact CD2-ND2 3.28Å; F327-N331 VanDerWaalsContact CE2-ND2 3.32Å; F327-N331 WeakPolarHBondContact CE2-ND2 3.29Å; F327-N331 PolarHBondContact O-N 2.56Å; F327-N331 PolarHBondContact O-ND2 2.96Å; E328-N331 CarbonylContact O-C 3.54Å; E328-N331 PolarHBondContact O-N 3.21Å; E329-N331 PolarHBondContact O-N 2.83Å; N331-D333 PolarHBondContact O-N 3.47Å; N331-L334 PolarHBondContact O-N 3.25Å; N331-F335 HydrophobicContact CB-CD1 4.34Å; N331-F335 HydrophobicContact CB-CD2 4.19Å; N331-F335 HydrophobicContact CB-CE1 3.83Å; N331-F335 HydrophobicContact CB-CE2 3.68Å; N331-F335 HydrophobicContact CB-CG 4.49Å; N331-F335 HydrophobicContact CB-CZ 3.47Å; N331-F335 VanDerWaalsContact CB-CZ 3.47Å; N331-F335 WeakPolarHBondContact O-CG 3.23Å; N331-F335 PolarHBondContact O-N 2.9Å
332	L	98.2	Very high	98.2	Very high	56 Å²	56	45.5 Å²	45.5	29%	0.293	23%	0.228	S	C	.	.	H	α-helix	trans	-59.4	-34.7	-171.8	-175.5	61.4	0	0	0	112.9	E328 R336	E328-L332 WeakPolarHBondContact O-CA 3.39Å; E328-L332 WeakPolarHBondContact O-CB 3.38Å; E328-L332 PolarHBondContact O-N 2.82Å; L332-R336 HydrophobicContact CD1-CG 4.36Å; L332-R336 WeakPolarHBondContact O-CB 3.43Å; L332-R336 VanDerWaalsContact O-CG 3.24Å; L332-R336 WeakPolarHBondContact O-CG 3.44Å; L332-R336 PolarHBondContact O-N 3.24Å
333	D	98.4	Very high	98.2	Very high	85 Å²	85	50.1 Å²	50.1	46%	0.455	25%	0.25	S	S	.	.	H	α-helix	trans	-64.7	-44.5	175.9	61.7	-54.1	0	0	0	111.8	R261 N331 R336 S337	R261-D333 IonicContact CZ-OD1 3.36Å; R261-D333 IonicContact CZ-OD2 2.75Å; R261-D333 IonicContact NH1-OD1 2.76Å; R261-D333 PolarHBondContact NH1-OD1 2.88Å; R261-D333 IonicContact NH1-OD2 2.79Å; R261-D333 PolarHBondContact NH1-OD2 3.25Å; R261-D333 IonicContact NH2-OD1 2.64Å; R261-D333 IonicContact NH2-OD2 2.95Å; R261-D333 PolarHBondContact NH2-OD2 2.96Å; N331-D333 PolarHBondContact O-N 3.47Å; D333-R336 PolarHBondContact O-N 3.24Å; D333-S337 PolarHBondContact O-N 3.34Å
334	L	98.3	Very high	98	Very high	26 Å²	26	52 Å²	52	14%	0.136	25%	0.254	C	S	.	.	H	α-helix	trans	-68.7	-41.3	176.7	-60.2	-178.7	0	0	0	111.4	L253 D257 F258 R261 N331 R336 S337	L253-L334 HydrophobicContact CD1-CB 4.13Å; L253-L334 HydrophobicContact CD1-CD2 4.09Å; L253-L334 HydrophobicContact CD1-CG 4.5Å; D257-L334 HydrophobicContact CB-CD1 4.03Å; F258-L334 HydrophobicContact CD1-CB 4.38Å; F258-L334 HydrophobicContact CD1-CD1 3.91Å; F258-L334 HydrophobicContact CE1-CB 3.82Å; F258-L334 HydrophobicContact CE1-CD1 4.02Å; R261-L334 HydrophobicContact CG-CD1 4.18Å; N331-L334 PolarHBondContact O-N 3.25Å; L334-R336 VanDerWaalsContact C-N 3.32Å; L334-R336 PolarHBondContact O-N 3.44Å; L334-S337 PolarHBondContact O-N 2.86Å; L334-S337 PolarHBondContact O-OG 2.83Å
335	F	98.5	Very high	98	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.7	-40.2	175.5	-61.4	-24.1	0	0	0	111.9	F258 F327 E328 N331 T338 I368 K370 V371 L374	F258-F335 HydrophobicContact CD1-CD1 4.46Å; F258-F335 AromaticContact CD1-CE1 3.83Å; F258-F335 HydrophobicContact CD1-CE1 3.83Å; F258-F335 HydrophobicContact CD2-CE1 4.05Å; F258-F335 AromaticContact CE1-CD1 3.91Å; F258-F335 HydrophobicContact CE1-CD1 3.91Å; F258-F335 AromaticContact CE1-CE1 3.67Å; F258-F335 HydrophobicContact CE1-CE1 3.67Å; F258-F335 AromaticContact CE2-CE1 3.9Å; F258-F335 HydrophobicContact CE2-CE1 3.9Å; F258-F335 HydrophobicContact CG-CE1 4.04Å; F258-F335 AromaticContact CZ-CD1 3.95Å; F258-F335 HydrophobicContact CZ-CD1 3.95Å; F258-F335 AromaticContact CZ-CE1 3.72Å; F258-F335 HydrophobicContact CZ-CE1 3.72Å; F327-F335 HydrophobicContact CE1-CE2 4.23Å; F327-F335 AromaticContact CE1-CZ 3.68Å; F327-F335 HydrophobicContact CE1-CZ 3.68Å; F327-F335 AromaticContact CZ-CZ 3.79Å; F327-F335 HydrophobicContact CZ-CZ 3.79Å; E328-F335 HydrophobicContact CG-CE2 4.47Å; N331-F335 HydrophobicContact CB-CD1 4.34Å; N331-F335 HydrophobicContact CB-CD2 4.19Å; N331-F335 HydrophobicContact CB-CE1 3.83Å; N331-F335 HydrophobicContact CB-CE2 3.68Å; N331-F335 HydrophobicContact CB-CG 4.49Å; N331-F335 HydrophobicContact CB-CZ 3.47Å; N331-F335 VanDerWaalsContact CB-CZ 3.47Å; N331-F335 WeakPolarHBondContact O-CG 3.23Å; N331-F335 PolarHBondContact O-N 2.9Å; F335-T338 PolarHBondContact O-OG1 2.74Å; F335-I368 HydrophobicContact CE1-CD1 4.11Å; F335-I368 HydrophobicContact CE2-CG2 4.39Å; F335-I368 HydrophobicContact CZ-CD1 4.23Å; F335-I368 HydrophobicContact CZ-CG2 4.07Å; F335-K370 HydrophobicContact CD2-CB 4.1Å; F335-K370 HydrophobicContact CD2-CG 3.73Å; F335-K370 HydrophobicContact CE2-CB 4.17Å; F335-K370 HydrophobicContact CE2-CG 4.23Å; F335-V371 HydrophobicContact CD1-CG2 3.96Å; F335-V371 HydrophobicContact CE1-CG2 4.25Å; F335-V371 HydrophobicContact CG-CG2 4.4Å; F335-L374 HydrophobicContact CB-CD1 3.64Å
336	R	98.1	Very high	97.9	Very high	152 Å²	152	47.3 Å²	47.3	57%	0.574	22%	0.222	S	C	*	.	H	α-helix	trans	-71	-30.4	176.7	-74.8	177.2	177.2	-165.3	0.3	113	L332 D333 L334 T338 L339	L332-R336 HydrophobicContact CD1-CG 4.36Å; L332-R336 WeakPolarHBondContact O-CB 3.43Å; L332-R336 VanDerWaalsContact O-CG 3.24Å; L332-R336 WeakPolarHBondContact O-CG 3.44Å; L332-R336 PolarHBondContact O-N 3.24Å; D333-R336 PolarHBondContact O-N 3.24Å; L334-R336 VanDerWaalsContact C-N 3.32Å; L334-R336 PolarHBondContact O-N 3.44Å; R336-T338 PolarHBondContact O-N 2.96Å; R336-L339 PolarHBondContact O-N 2.93Å
337	S	97.7	Very high	97.9	Very high	33 Å²	33	50.9 Å²	50.9	23%	0.231	24%	0.239	C	C	.	.	H	α-helix	trans	-63.8	-29.1	178.9	69.9	0	0	0	0	111.9	D333 L334 L339 K340 P341	D333-S337 PolarHBondContact O-N 3.34Å; L334-S337 PolarHBondContact O-N 2.86Å; L334-S337 PolarHBondContact O-OG 2.83Å; S337-L339 PolarHBondContact O-N 2.93Å; S337-L339 VanDerWaalsContact O-N 3.17Å; S337-K340 WeakPolarHBondContact O-CB 3.33Å; S337-K340 PolarHBondContact O-N 3.33Å; S337-P341 VanDerWaalsContact O-CD 3.25Å; S337-P341 WeakPolarHBondContact O-CD 3.46Å
338	T	98.3	Very high	97.7	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.006	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-26.2	176.2	69.4	0	0	0	0	114	F223 L225 F230 L253 F335 R336 K340 P341 V342	F223-T338 HydrophobicContact CZ-CG2 4.24Å; L225-T338 HydrophobicContact CD1-CG2 4.4Å; L225-T338 HydrophobicContact CD2-CG2 4.48Å; F230-T338 HydrophobicContact CD1-CG2 4.37Å; F230-T338 VanDerWaalsContact CE1-CA 3.45Å; F230-T338 HydrophobicContact CE1-CG2 4.22Å; F230-T338 VanDerWaalsContact CE1-O 3.22Å; F230-T338 WeakPolarHBondContact CE1-O 3.08Å; F230-T338 HydrophobicContact CE2-CG2 4.42Å; F230-T338 HydrophobicContact CZ-CG2 4.24Å; F230-T338 VanDerWaalsContact CZ-O 3.26Å; F230-T338 WeakPolarHBondContact CZ-O 3.47Å; L253-T338 HydrophobicContact CD2-CG2 4.03Å; F335-T338 PolarHBondContact O-OG1 2.74Å; R336-T338 PolarHBondContact O-N 2.96Å; T338-K340 VanDerWaalsContact C-N 3.29Å; T338-K340 PolarHBondContact O-N 3.13Å; T338-P341 WeakPolarHBondContact O-CD 3.34Å; T338-V342 WeakPolarHBondContact O-CG2 3.33Å
339	L	98.2	Very high	97.5	Very high	32 Å²	32	51.8 Å²	51.8	17%	0.168	25%	0.248	C	C	.	.	H	α-helix	trans	-75.9	-16.6	178.8	-61.9	-179.7	0	0	0	113.1	R336 S337 V342 Q343 L374 F378	R336-L339 PolarHBondContact O-N 2.93Å; S337-L339 PolarHBondContact O-N 2.93Å; S337-L339 VanDerWaalsContact O-N 3.17Å; L339-V342 PolarHBondContact O-N 3.32Å; L339-Q343 PolarHBondContact O-N 2.84Å; L339-L374 HydrophobicContact CD1-CB 4.39Å; L339-L374 HydrophobicContact CD1-CD2 4.42Å; L339-F378 HydrophobicContact CB-CD2 4.33Å; L339-F378 HydrophobicContact CD1-CD2 4.21Å; L339-F378 HydrophobicContact CD2-CB 3.96Å; L339-F378 HydrophobicContact CD2-CD2 4.1Å; L339-F378 HydrophobicContact CD2-CG 4.12Å; L339-F378 HydrophobicContact CG-CD2 4.46Å
340	K	97.2	Very high	97.5	Very high	141 Å²	141	53.2 Å²	53.2	61%	0.613	26%	0.259	S	S	*	.	H	α-helix	trans	-69.9	-48.9	178.9	-67.4	177.9	-179.5	177.3	0	111.7	S337 T338 V342 Q343 K344	S337-K340 WeakPolarHBondContact O-CB 3.33Å; S337-K340 PolarHBondContact O-N 3.33Å; T338-K340 VanDerWaalsContact C-N 3.29Å; T338-K340 PolarHBondContact O-N 3.13Å; K340-V342 VanDerWaalsContact C-N 3.3Å; K340-V342 PolarHBondContact O-N 2.91Å; K340-Q343 PolarHBondContact O-N 3.03Å; K340-K344 WeakPolarHBondContact O-CG 3.36Å; K340-K344 PolarHBondContact O-N 3.14Å
341	P	95.8	Very high	97.4	Very high	12 Å²	12	53.4 Å²	53.4	8%	0.078	26%	0.26	C	S	.	.	H	α-helix	trans	-57.1	-39.9	170.2	-31.6	40.3	0	0	0	113.4	F230 V232 N248 S337 T338 Q343 K344 V345	F230-P341 HydrophobicContact CD1-CG 4.11Å; F230-P341 HydrophobicContact CE1-CB 3.81Å; F230-P341 HydrophobicContact CE1-CG 3.66Å; V232-P341 HydrophobicContact CG2-CB 4.05Å; N248-P341 HydrophobicContact CB-CB 4.05Å; S337-P341 VanDerWaalsContact O-CD 3.25Å; S337-P341 WeakPolarHBondContact O-CD 3.46Å; T338-P341 WeakPolarHBondContact O-CD 3.34Å; P341-Q343 VanDerWaalsContact C-N 3.33Å; P341-Q343 PolarHBondContact O-N 3.43Å; P341-K344 PolarHBondContact O-N 3.46Å; P341-K344 VanDerWaalsContact O-N 3.14Å; P341-V345 PolarHBondContact O-N 3.01Å
342	V	98.1	Very high	97.3	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.006	29%	0.286	C	S	.	.	H	α-helix	trans	-57.9	-43.8	175.4	178.9	0	0	0	0	111.9	L221 F223 V232 T338 L339 K340 V345 L346 F378 F379	L221-V342 HydrophobicContact CD1-CG1 4.24Å; F223-V342 HydrophobicContact CD2-CG2 3.76Å; F223-V342 HydrophobicContact CE2-CG2 3.81Å; V232-V342 HydrophobicContact CG1-CG2 4.12Å; V232-V342 HydrophobicContact CG2-CG2 3.79Å; T338-V342 WeakPolarHBondContact O-CG2 3.33Å; L339-V342 PolarHBondContact O-N 3.32Å; K340-V342 VanDerWaalsContact C-N 3.3Å; K340-V342 PolarHBondContact O-N 2.91Å; V342-V345 WeakPolarHBondContact O-CG2 3.11Å; V342-L346 WeakPolarHBondContact O-CG 3.19Å; V342-L346 PolarHBondContact O-N 2.88Å; V342-F378 HydrophobicContact CB-CE1 4.44Å; V342-F378 HydrophobicContact CG1-CD1 3.84Å; V342-F378 HydrophobicContact CG1-CE1 3.44Å; V342-F378 VanDerWaalsContact CG1-CE1 3.44Å; V342-F378 HydrophobicContact CG1-CZ 3.98Å; V342-F379 HydrophobicContact CG1-CE2 3.87Å; V342-F379 HydrophobicContact CG1-CZ 3.77Å
343	Q	97.7	Very high	97.2	Very high	99 Å²	99	60 Å²	60	46%	0.463	29%	0.291	S	S	.	.	H	α-helix	trans	-64.9	-43.5	176	-178.8	178	-13.3	0	0	111.7	L339 K340 P341 V345 L346 E347 F378	L339-Q343 PolarHBondContact O-N 2.84Å; K340-Q343 PolarHBondContact O-N 3.03Å; P341-Q343 VanDerWaalsContact C-N 3.33Å; P341-Q343 PolarHBondContact O-N 3.43Å; Q343-V345 PolarHBondContact O-N 3.49Å; Q343-L346 PolarHBondContact O-N 2.99Å; Q343-E347 WeakPolarHBondContact CG-OE1 3.37Å; Q343-E347 PolarHBondContact NE2-OE1 3.29Å; Q343-E347 WeakPolarHBondContact O-CG 3.37Å; Q343-E347 PolarHBondContact O-N 3.41Å; Q343-F378 HydrophobicContact CB-CZ 4.24Å
344	K	95.7	Very high	97.2	Very high	90 Å²	90	64.1 Å²	64.1	39%	0.391	31%	0.305	S	S	.	.	H	α-helix	trans	-63.1	-40.7	-179.6	-73.1	177.2	177.8	179.4	0	113	N248 K340 P341 L346 E347 D348	N248-K344 HydrophobicContact CB-CB 4.48Å; N248-K344 WeakPolarHBondContact OD1-CD 3.36Å; K340-K344 WeakPolarHBondContact O-CG 3.36Å; K340-K344 PolarHBondContact O-N 3.14Å; P341-K344 PolarHBondContact O-N 3.46Å; P341-K344 VanDerWaalsContact O-N 3.14Å; K344-L346 VanDerWaalsContact C-N 3.3Å; K344-L346 PolarHBondContact O-N 3.23Å; K344-E347 PolarHBondContact O-N 2.88Å; K344-D348 WeakPolarHBondContact O-CB 3.31Å; K344-D348 PolarHBondContact O-N 3.1Å
345	V	96.9	Very high	97.1	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-66.8	-33.5	178.7	-63.1	0	0	0	0	112.1	L221 V232 A246 N248 P341 V342 Q343 A349	L221-V345 HydrophobicContact CD1-CG2 4.12Å; V232-V345 HydrophobicContact CB-CG1 4.33Å; V232-V345 HydrophobicContact CB-CG2 4.44Å; V232-V345 HydrophobicContact CG1-CG1 4.41Å; V232-V345 HydrophobicContact CG1-CG2 3.72Å; A246-V345 HydrophobicContact CB-CB 4.14Å; A246-V345 WeakPolarHBondContact CB-O 3.38Å; N248-V345 HydrophobicContact CB-CG1 3.58Å; P341-V345 PolarHBondContact O-N 3.01Å; V342-V345 WeakPolarHBondContact O-CG2 3.11Å; Q343-V345 PolarHBondContact O-N 3.49Å; V345-A349 WeakPolarHBondContact O-CB 2.84Å; V345-A349 PolarHBondContact O-N 3.33Å
346	L	98.1	Very high	97.1	Very high	11 Å²	11	65.2 Å²	65.2	6%	0.058	31%	0.311	C	S	.	.	H	α-helix	trans	-67.4	-43.4	173.5	-72.9	173.9	0	0	0	111.3	L234 V342 Q343 K344 A349 D350 M351 K353 V356 F378 F379	L234-L346 HydrophobicContact CD2-CD2 4.32Å; V342-L346 WeakPolarHBondContact O-CG 3.19Å; V342-L346 PolarHBondContact O-N 2.88Å; Q343-L346 PolarHBondContact O-N 2.99Å; K344-L346 VanDerWaalsContact C-N 3.3Å; K344-L346 PolarHBondContact O-N 3.23Å; L346-A349 PolarHBondContact O-N 3.35Å; L346-D350 PolarHBondContact O-N 3.36Å; L346-M351 CarbonylContact C-O 3.42Å; L346-M351 WeakPolarHBondContact CB-O 3.28Å; L346-M351 HydrophobicContact CD2-CB 4.32Å; L346-M351 PolarHBondContact O-N 2.95Å; L346-K353 HydrophobicContact CD1-CG 3.97Å; L346-V356 HydrophobicContact CD2-CG2 3.71Å; L346-F378 HydrophobicContact CD1-CE1 3.83Å; L346-F378 HydrophobicContact CD1-CZ 4.32Å; L346-F379 HydrophobicContact CD1-CE1 4.26Å; L346-F379 HydrophobicContact CD1-CZ 4.4Å
347	E	96.8	Very high	97	Very high	123 Å²	123	62 Å²	62	58%	0.575	30%	0.302	S	S	*	.	H	α-helix	trans	-62.7	-45.5	175.4	-71.3	170.6	-174.7	0	0	111.8	Q343 K344 A349 D350	Q343-E347 WeakPolarHBondContact CG-OE1 3.37Å; Q343-E347 PolarHBondContact NE2-OE1 3.29Å; Q343-E347 WeakPolarHBondContact O-CG 3.37Å; Q343-E347 PolarHBondContact O-N 3.41Å; K344-E347 PolarHBondContact O-N 2.88Å; E347-A349 VanDerWaalsContact C-N 3.29Å; E347-A349 PolarHBondContact O-N 3.34Å; E347-D350 PolarHBondContact O-N 2.92Å
348	D	94.5	Very high	96.9	Very high	53 Å²	53	62.5 Å²	62.5	28%	0.283	30%	0.301	S	S	.	.	H	α-helix	trans	-67.4	-29.2	179.6	-77.6	-21.9	0	0	0	112.8	A246 K344 R439 N440	A246-D348 HydrophobicContact CB-CB 3.78Å; K344-D348 WeakPolarHBondContact O-CB 3.31Å; K344-D348 PolarHBondContact O-N 3.1Å; D348-R439 VanDerWaalsContact CG-NH2 3.28Å; D348-R439 IonicContact OD1-CZ 3.48Å; D348-R439 IonicContact OD1-NE 3Å; D348-R439 PolarHBondContact OD1-NE 3.1Å; D348-R439 IonicContact OD1-NH2 2.79Å; D348-R439 PolarHBondContact OD1-NH2 2.9Å; D348-R439 IonicContact OD2-CZ 3.32Å; D348-R439 IonicContact OD2-NE 2.81Å; D348-R439 PolarHBondContact OD2-NE 3.14Å; D348-R439 VanDerWaalsContact OD2-NE 3.16Å; D348-R439 IonicContact OD2-NH1 2.71Å; D348-R439 IonicContact OD2-NH2 2.87Å; D348-R439 PolarHBondContact OD2-NH2 3.09Å; D348-R439 VanDerWaalsContact OD2-NH2 3.09Å; D348-N440 WeakPolarHBondContact CB-ND2 3.4Å; D348-N440 PolarHBondContact OD2-ND2 3.45Å
349	A	96.2	Very high	96.9	Very high	15 Å²	15	62.5 Å²	62.5	12%	0.124	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-3.3	176.5	0	0	0	0	0	114.2	L234 V245 A246 V345 L346 E347 M351	L234-A349 HydrophobicContact CD2-CB 3.51Å; V245-A349 HydrophobicContact CB-CB 4.32Å; V245-A349 HydrophobicContact CG1-CB 3.55Å; A246-A349 HydrophobicContact CB-CB 4.16Å; V345-A349 WeakPolarHBondContact O-CB 2.84Å; V345-A349 PolarHBondContact O-N 3.33Å; L346-A349 PolarHBondContact O-N 3.35Å; E347-A349 VanDerWaalsContact C-N 3.29Å; E347-A349 PolarHBondContact O-N 3.34Å; A349-M351 HydrophobicContact CB-CB 4.26Å; A349-M351 HydrophobicContact CB-CG 4.05Å; A349-M351 WeakPolarHBondContact O-CG 3.3Å; A349-M351 PolarHBondContact O-N 2.71Å
350	D	96.7	Very high	96.8	Very high	153 Å²	153	61 Å²	61	82%	0.818	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	38.9	-169.6	-163	28.9	0	0	0	112.7	L346 E347	L346-D350 PolarHBondContact O-N 3.36Å; E347-D350 PolarHBondContact O-N 2.92Å
351	M	97.2	Very high	96.8	Very high	38 Å²	38	55.2 Å²	55.2	19%	0.187	27%	0.269	C	S	.	.			trans	-117.9	145.3	-178.1	-69.2	-166.4	-170.1	0	0	111.9	N219 L234 L346 A349 D355	N219-M351 HydrophobicContact CB-SD 4.18Å; L234-M351 HydrophobicContact CD2-CB 4.19Å; L234-M351 HydrophobicContact CD2-CG 4.25Å; L234-M351 HydrophobicContact CD2-SD 3.54Å; L234-M351 VanDerWaalsContact CD2-SD 3.54Å; L234-M351 HydrophobicContact CG-SD 4.43Å; L346-M351 CarbonylContact C-O 3.42Å; L346-M351 WeakPolarHBondContact CB-O 3.28Å; L346-M351 HydrophobicContact CD2-CB 4.32Å; L346-M351 PolarHBondContact O-N 2.95Å; A349-M351 HydrophobicContact CB-CB 4.26Å; A349-M351 HydrophobicContact CB-CG 4.05Å; A349-M351 WeakPolarHBondContact O-CG 3.3Å; A349-M351 PolarHBondContact O-N 2.71Å; M351-D355 HydrophobicContact CB-CB 4.24Å; M351-D355 HydrophobicContact CG-CB 4.46Å; M351-D355 HydrophobicContact SD-CB 4.48Å
352	N	96.4	Very high	96.9	Very high	102 Å²	102	54.6 Å²	54.6	55%	0.545	27%	0.265	S	S	.	.			trans	-94.1	163.7	171.7	-57.1	-84.4	0	0	0	110.4	K354 D355	N352-K354 HydrophobicContact CB-CG 4.07Å; N352-K354 PolarHBondContact O-N 2.87Å; N352-D355 WeakPolarHBondContact CA-OD2 3.47Å; N352-D355 VanDerWaalsContact CB-OD2 3.28Å; N352-D355 WeakPolarHBondContact CB-OD2 3.47Å; N352-D355 PolarHBondContact N-OD2 2.83Å; N352-D355 PolarHBondContact ND2-OD2 3.25Å; N352-D355 WeakPolarHBondContact O-CB 3.23Å; N352-D355 PolarHBondContact O-N 3.13Å
353	K	97.5	Very high	96.8	Very high	94 Å²	94	55 Å²	55	41%	0.409	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-51.5	-32.9	176.9	-64.4	172.4	172	-162.9	0	114.3	L346 D355 F378 F379	L346-K353 HydrophobicContact CD1-CG 3.97Å; K353-D355 VanDerWaalsContact C-N 3.31Å; K353-F378 HydrophobicContact CD-CD1 4.49Å; K353-F378 HydrophobicContact CD-CE1 4.29Å; K353-F378 WeakPolarHBondContact CD-O 3.16Å; K353-F378 VanDerWaalsContact CE-CE1 3.45Å; K353-F378 VanDerWaalsContact CE-O 3.23Å; K353-F378 WeakPolarHBondContact CE-O 3.16Å; K353-F378 HydrophobicContact CG-CE1 4.15Å; K353-F378 PolarHBondContact NZ-O 3.05Å; K353-F379 HydrophobicContact CB-CD1 4.05Å; K353-F379 HydrophobicContact CB-CE1 4.36Å; K353-F379 HydrophobicContact CG-CD1 4.38Å; K353-F379 HydrophobicContact CG-CE1 4.43Å
354	K	96.5	Very high	96.7	Very high	170 Å²	170	51.7 Å²	51.7	74%	0.739	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-73.6	-21.3	179.8	64.3	174	-174.3	173.5	0	113.4	N352	N352-K354 HydrophobicContact CB-CG 4.07Å; N352-K354 PolarHBondContact O-N 2.87Å
355	D	97.2	Very high	96.8	Very high	49 Å²	49	47.8 Å²	47.8	26%	0.262	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-82.2	-10.6	-177.8	-52.7	-41.9	0	0	0	110.8	N219 M351 N352 K353 H357	N219-D355 WeakPolarHBondContact CB-O 3.44Å; N219-D355 PolarHBondContact ND2-O 3.25Å; N219-D355 VanDerWaalsContact ND2-O 3.1Å; M351-D355 HydrophobicContact CB-CB 4.24Å; M351-D355 HydrophobicContact CG-CB 4.46Å; M351-D355 HydrophobicContact SD-CB 4.48Å; N352-D355 WeakPolarHBondContact CA-OD2 3.47Å; N352-D355 VanDerWaalsContact CB-OD2 3.28Å; N352-D355 WeakPolarHBondContact CB-OD2 3.47Å; N352-D355 PolarHBondContact N-OD2 2.83Å; N352-D355 PolarHBondContact ND2-OD2 3.25Å; N352-D355 WeakPolarHBondContact O-CB 3.23Å; N352-D355 PolarHBondContact O-N 3.13Å; K353-D355 VanDerWaalsContact C-N 3.31Å; D355-H357 PolarHBondContact O-CE1 2.79Å; D355-H357 VanDerWaalsContact O-CE1 3.31Å; D355-H357 PolarHBondContact O-ND1 3.36Å; D355-H357 VanDerWaalsContact O-ND1 3.12Å
356	V	97.6	Very high	96.9	Very high	1 Å²	1	48 Å²	48	1%	0.006	25%	0.247	C	C	.	.			trans	-81.4	113.2	172.2	-177.9	0	0	0	0	110.3	L221 L234 L346 E358 I359 F379 K382	L221-V356 HydrophobicContact CB-CG1 3.74Å; L234-V356 HydrophobicContact CD1-CG2 3.93Å; L346-V356 HydrophobicContact CD2-CG2 3.71Å; V356-E358 VanDerWaalsContact CG1-O 3.27Å; V356-E358 WeakPolarHBondContact CG1-O 3.22Å; V356-I359 HydrophobicContact CG1-CG1 4.11Å; V356-F379 HydrophobicContact CB-CD1 4.42Å; V356-F379 HydrophobicContact CB-CE1 4.03Å; V356-F379 HydrophobicContact CG1-CE1 4.29Å; V356-F379 HydrophobicContact CG2-CE1 3.8Å; V356-K382 VanDerWaalsContact O-CE 3.31Å; V356-K382 WeakPolarHBondContact O-CE 3.48Å; V356-K382 PolarHBondContact O-NZ 3.31Å
357	H	96.2	Very high	96.9	Very high	83 Å²	83	52.8 Å²	52.8	38%	0.384	26%	0.264	S	S	.	.			trans	-82	-33.4	-176.6	-61.6	87.5	0	0	0	112.1	K218 N219 D355 K382	K218-H357 HydrophobicContact CB-CB 4.1Å; K218-H357 HydrophobicContact CD-CB 4.3Å; K218-H357 HydrophobicContact CG-CB 4.14Å; N219-H357 PolarHBondContact N-ND1 3.32Å; N219-H357 WeakPolarHBondContact O-CB 3.31Å; N219-H357 PolarHBondContact O-N 2.64Å; D355-H357 PolarHBondContact O-CE1 2.79Å; D355-H357 VanDerWaalsContact O-CE1 3.31Å; D355-H357 PolarHBondContact O-ND1 3.36Å; D355-H357 VanDerWaalsContact O-ND1 3.12Å; H357-K382 WeakPolarHBondContact O-CE 3.41Å; H357-K382 PolarHBondContact O-NZ 3.03Å
358	E	96	Very high	96.9	Very high	45 Å²	45	47.1 Å²	47.1	21%	0.21	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	146.6	-172.9	-62	-76.8	171.9	0	0	109.9	Y209 K218 N219 V220 L221 V356 S385	Y209-E358 HydrophobicContact CE1-CB 4.43Å; Y209-E358 HydrophobicContact CE1-CG 4.44Å; Y209-E358 WeakPolarHBondContact OH-CG 3.4Å; K218-E358 HydrophobicContact CD-CG 4.05Å; K218-E358 IonicContact NZ-OE1 2.68Å; K218-E358 PolarHBondContact NZ-OE1 3.08Å; N219-E358 PolarHBondContact O-N 3.09Å; V220-E358 HydrophobicContact CG1-CB 4.16Å; V220-E358 HydrophobicContact CG2-CB 4.14Å; L221-E358 PolarHBondContact N-O 2.89Å; V356-E358 VanDerWaalsContact CG1-O 3.27Å; V356-E358 WeakPolarHBondContact CG1-O 3.22Å; E358-S385 PolarHBondContact OE2-OG 2.85Å
359	I	97.5	Very high	97.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	112.6	178.2	-58.9	163	0	0	0	107.6	L221 V356 L361 V375 F379 K382 P384 S385	L221-I359 HydrophobicContact CD2-CG2 4.22Å; L221-I359 CarbonylContact O-C 3.42Å; L221-I359 WeakPolarHBondContact O-CA 3.47Å; V356-I359 HydrophobicContact CG1-CG1 4.11Å; I359-L361 HydrophobicContact CG2-CD2 4.21Å; I359-V375 HydrophobicContact CG2-CG1 3.81Å; I359-F379 HydrophobicContact CD1-CB 3.72Å; I359-F379 HydrophobicContact CD1-CD1 4.21Å; I359-F379 HydrophobicContact CD1-CD2 3.37Å; I359-F379 HydrophobicContact CD1-CE2 4.04Å; I359-F379 HydrophobicContact CD1-CG 3.5Å; I359-F379 VanDerWaalsContact CD1-CG 3.5Å; I359-F379 HydrophobicContact CG1-CD2 4.22Å; I359-F379 HydrophobicContact CG1-CE2 4.43Å; I359-F379 HydrophobicContact CG1-CG 4.44Å; I359-K382 HydrophobicContact CD1-CB 4.29Å; I359-K382 HydrophobicContact CD1-CD 3.9Å; I359-K382 HydrophobicContact CD1-CG 4.25Å; I359-K382 HydrophobicContact CG1-CD 4.32Å; I359-P384 HydrophobicContact CB-CB 4.47Å; I359-P384 HydrophobicContact CG2-CB 4.4Å; I359-P384 CarbonylContact O-C 3.58Å; I359-P384 VanDerWaalsContact O-CA 3.32Å; I359-P384 WeakPolarHBondContact O-CA 3.33Å; I359-P384 WeakPolarHBondContact O-CB 3.23Å; I359-S385 PolarHBondContact N-OG 2.73Å; I359-S385 PolarHBondContact O-N 2.79Å; I359-S385 PolarHBondContact O-OG 2.94Å
360	V	97.2	Very high	97.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	119.5	-177.4	169.2	0	0	0	0	108.9	Y209 V220 L221 V222 F223 V362 I388	Y209-V360 HydrophobicContact CD1-CG2 4.14Å; Y209-V360 HydrophobicContact CD2-CG2 3.95Å; Y209-V360 HydrophobicContact CE2-CG2 4.37Å; Y209-V360 HydrophobicContact CG-CG2 3.77Å; V220-V360 HydrophobicContact CG1-CB 4.4Å; V220-V360 HydrophobicContact CG1-CG2 3.66Å; L221-V360 PolarHBondContact O-N 2.95Å; V222-V360 WeakPolarHBondContact CA-O 3.43Å; V222-V360 HydrophobicContact CG1-CG1 4.47Å; V222-V360 HydrophobicContact CG2-CB 4.23Å; V222-V360 HydrophobicContact CG2-CG1 4.44Å; F223-V360 PolarHBondContact N-O 3.18Å; V360-V362 HydrophobicContact CG1-CG2 3.74Å; V360-I388 HydrophobicContact CB-CD1 4.05Å; V360-I388 HydrophobicContact CG1-CD1 3.36Å; V360-I388 HydrophobicContact CG2-CD1 3.64Å
361	L	97.9	Very high	97.3	Very high	20 Å²	20	40.1 Å²	40.1	11%	0.105	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	127.6	176.4	-60.4	-174.4	0	0	0	110.4	F223 I359 T366 Q372 V375 P384	F223-L361 HydrophobicContact CB-CD2 3.86Å; F223-L361 HydrophobicContact CD1-CD2 4.08Å; F223-L361 HydrophobicContact CG-CD2 4.17Å; I359-L361 HydrophobicContact CG2-CD2 4.21Å; L361-T366 HydrophobicContact CB-CG2 4.16Å; L361-Q372 HydrophobicContact CD1-CG 3.82Å; L361-V375 HydrophobicContact CD2-CG1 4.38Å; L361-P384 HydrophobicContact CD1-CB 3.83Å; L361-P384 HydrophobicContact CD1-CG 3.76Å; L361-P384 HydrophobicContact CD2-CB 4.47Å; L361-P384 HydrophobicContact CG-CB 3.75Å; L361-P384 HydrophobicContact CG-CG 4.11Å
362	V	97.1	Very high	97.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	151	-175.7	-172.8	0	0	0	0	109.2	A205 V222 F223 D224 L225 V360 T366 V394	A205-V362 HydrophobicContact CB-CB 4.34Å; A205-V362 HydrophobicContact CB-CG1 4Å; A205-V362 HydrophobicContact CB-CG2 3.47Å; A205-V362 VanDerWaalsContact CB-CG2 3.47Å; V222-V362 HydrophobicContact CG1-CG2 3.77Å; F223-V362 PolarHBondContact O-N 3.48Å; D224-V362 WeakPolarHBondContact CA-O 3.39Å; D224-V362 HydrophobicContact CB-CB 4.04Å; D224-V362 HydrophobicContact CB-CG1 4.47Å; L225-V362 PolarHBondContact N-O 2.67Å; V360-V362 HydrophobicContact CG1-CG2 3.74Å; V362-T366 WeakPolarHBondContact O-CG2 3.29Å; V362-V394 HydrophobicContact CG1-CG2 3.53Å
363	G	96.5	Very high	97.4	Very high	9 Å²	9	41.5 Å²	41.5	9%	0.093	20%	0.201	C	C	.	.	S	Bend	trans	84.5	136.9	-178.2	0	0	0	0	0	112.5	L225 S365 T366 P390	L225-G363 CarbonylContact O-C 3.56Å; G363-S365 PolarHBondContact O-N 3.48Å; G363-T366 WeakPolarHBondContact O-CB 3.19Å; G363-T366 PolarHBondContact O-N 3.4Å; G363-T366 PolarHBondContact O-OG1 3.4Å; G363-P390 PolarHBondContact N-O 2.99Å
364	G	95.7	Very high	97.4	Very high	29 Å²	29	38 Å²	38	30%	0.299	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-58.5	-24.1	-171.3	0	0	0	0	0	115.2	T366 R367 D391	G364-T366 VanDerWaalsContact C-N 3.25Å; G364-T366 PolarHBondContact O-N 3.05Å; G364-R367 VanDerWaalsContact O-CB 3.31Å; G364-R367 WeakPolarHBondContact O-CB 3.39Å; G364-R367 WeakPolarHBondContact O-CG 3.47Å; G364-R367 PolarHBondContact O-N 3.45Å; G364-D391 WeakPolarHBondContact CA-OD1 3.17Å
365	S	98.2	Very high	97.5	Very high	9 Å²	9	30 Å²	30	6%	0.063	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-74.7	-13.9	178.4	-58.7	0	0	0	0	113.1	L225 G226 G255 G363 R367 I368	L225-S365 VanDerWaalsContact O-CB 3.23Å; L225-S365 WeakPolarHBondContact O-CB 3.46Å; L225-S365 PolarHBondContact O-N 3.5Å; G226-S365 PolarHBondContact O-OG 3.16Å; G255-S365 VanDerWaalsContact CA-OG 3.28Å; G255-S365 WeakPolarHBondContact CA-OG 3.39Å; G255-S365 PolarHBondContact N-OG 3Å; G363-S365 PolarHBondContact O-N 3.48Å; S365-R367 PolarHBondContact O-N 2.82Å; S365-I368 WeakPolarHBondContact O-CB 3.46Å; S365-I368 WeakPolarHBondContact O-CD1 3.41Å; S365-I368 VanDerWaalsContact O-CG1 3.3Å; S365-I368 WeakPolarHBondContact O-CG1 3.34Å; S365-I368 PolarHBondContact O-N 2.79Å
366	T	98	Very high	97.5	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.018	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-71	-9.9	170.4	63.8	0	0	0	0	113.5	F223 L225 L361 V362 G363 G364 I368 Q372	F223-T366 HydrophobicContact CD1-CG2 3.89Å; F223-T366 HydrophobicContact CE1-CG2 4.2Å; L225-T366 HydrophobicContact CB-CG2 3.86Å; L361-T366 HydrophobicContact CB-CG2 4.16Å; V362-T366 WeakPolarHBondContact O-CG2 3.29Å; G363-T366 WeakPolarHBondContact O-CB 3.19Å; G363-T366 PolarHBondContact O-N 3.4Å; G363-T366 PolarHBondContact O-OG1 3.4Å; G364-T366 VanDerWaalsContact C-N 3.25Å; G364-T366 PolarHBondContact O-N 3.05Å; T366-I368 PolarHBondContact O-N 2.95Å; T366-Q372 WeakPolarHBondContact O-CG 3.33Å; T366-Q372 PolarHBondContact O-NE2 3.06Å
367	R	97.4	Very high	97.5	Very high	112 Å²	112	35.3 Å²	35.3	42%	0.423	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-69.3	-14.7	171.5	-62	176.4	178.6	-80.2	3.7	112.7	G364 S365 P369 D391	G364-R367 VanDerWaalsContact O-CB 3.31Å; G364-R367 WeakPolarHBondContact O-CB 3.39Å; G364-R367 WeakPolarHBondContact O-CG 3.47Å; G364-R367 PolarHBondContact O-N 3.45Å; S365-R367 PolarHBondContact O-N 2.82Å; R367-P369 WeakPolarHBondContact O-CD 3.5Å; R367-D391 IonicContact CZ-OD2 2.61Å; R367-D391 IonicContact NE-OD2 3.95Å; R367-D391 PolarHBondContact NE-OD2 3.03Å; R367-D391 IonicContact NH2-OD2 3.95Å; R367-D391 PolarHBondContact NH2-OD2 3.19Å
368	I	98.4	Very high	97.6	Very high	5 Å²	5	32.8 Å²	32.8	3%	0.026	17%	0.165	C	C	.	.	S	Bend	trans	-65.8	121.2	178.2	-65.2	168.8	0	0	0	109.6	F258 F327 F335 S365 T366 K370 V371 Q372	F258-I368 HydrophobicContact CD2-CD1 3.76Å; F258-I368 HydrophobicContact CE2-CD1 3.94Å; F327-I368 HydrophobicContact CE1-CD1 4.22Å; F327-I368 HydrophobicContact CE1-CG1 4.41Å; F327-I368 HydrophobicContact CE1-CG2 4.01Å; F327-I368 HydrophobicContact CZ-CD1 3.99Å; F335-I368 HydrophobicContact CE1-CD1 4.11Å; F335-I368 HydrophobicContact CE2-CG2 4.39Å; F335-I368 HydrophobicContact CZ-CD1 4.23Å; F335-I368 HydrophobicContact CZ-CG2 4.07Å; S365-I368 WeakPolarHBondContact O-CB 3.46Å; S365-I368 WeakPolarHBondContact O-CD1 3.41Å; S365-I368 VanDerWaalsContact O-CG1 3.3Å; S365-I368 WeakPolarHBondContact O-CG1 3.34Å; S365-I368 PolarHBondContact O-N 2.79Å; T366-I368 PolarHBondContact O-N 2.95Å; I368-K370 HydrophobicContact CG2-CB 4.14Å; I368-K370 PolarHBondContact O-N 3.36Å; I368-K370 VanDerWaalsContact O-N 3.13Å; I368-V371 HydrophobicContact CB-CB 4.27Å; I368-V371 HydrophobicContact CB-CG2 3.91Å; I368-V371 HydrophobicContact CG2-CG2 4.01Å; I368-V371 WeakPolarHBondContact O-CB 3.46Å; I368-V371 PolarHBondContact O-N 2.9Å; I368-Q372 PolarHBondContact O-N 2.98Å
369	P	98	Very high	97.7	Very high	38 Å²	38	31.4 Å²	31.4	25%	0.247	16%	0.159	C	C	.	.	H	α-helix	trans	-56.6	-34.9	-177.6	-29.1	35.9	0	0	0	113.8	S300 R367 Q372 Q373	S300-P369 WeakPolarHBondContact O-CG 3.24Å; R367-P369 WeakPolarHBondContact O-CD 3.5Å; P369-Q372 PolarHBondContact O-N 2.94Å; P369-Q373 WeakPolarHBondContact O-CB 3.18Å; P369-Q373 PolarHBondContact O-N 2.85Å
370	K	98.4	Very high	97.7	Very high	35 Å²	35	34.9 Å²	34.9	15%	0.152	20%	0.195	C	C	.	.	H	α-helix	trans	-66.8	-36.5	178.5	-170.8	57.9	179	179.9	0	113.2	E328 F335 I368 L374	E328-K370 HydrophobicContact CG-CB 3.87Å; E328-K370 HydrophobicContact CG-CG 4.13Å; F335-K370 HydrophobicContact CD2-CB 4.1Å; F335-K370 HydrophobicContact CD2-CG 3.73Å; F335-K370 HydrophobicContact CE2-CB 4.17Å; F335-K370 HydrophobicContact CE2-CG 4.23Å; I368-K370 HydrophobicContact CG2-CB 4.14Å; I368-K370 PolarHBondContact O-N 3.36Å; I368-K370 VanDerWaalsContact O-N 3.13Å; K370-L374 HydrophobicContact CG-CD1 4.3Å; K370-L374 WeakPolarHBondContact O-CB 3.34Å; K370-L374 VanDerWaalsContact O-CG 3.26Å; K370-L374 WeakPolarHBondContact O-CG 3.33Å; K370-L374 PolarHBondContact O-N 3.47Å
371	V	98.1	Very high	97.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.8	-49.4	176.3	174	0	0	0	0	109.4	F223 L225 F335 I368 Q373 L374 V375	F223-V371 HydrophobicContact CE1-CG1 3.7Å; F223-V371 HydrophobicContact CZ-CG1 4.04Å; L225-V371 HydrophobicContact CD2-CG1 4.16Å; L225-V371 HydrophobicContact CD2-CG2 4.09Å; F335-V371 HydrophobicContact CD1-CG2 3.96Å; F335-V371 HydrophobicContact CE1-CG2 4.25Å; F335-V371 HydrophobicContact CG-CG2 4.4Å; I368-V371 HydrophobicContact CB-CB 4.27Å; I368-V371 HydrophobicContact CB-CG2 3.91Å; I368-V371 HydrophobicContact CG2-CG2 4.01Å; I368-V371 WeakPolarHBondContact O-CB 3.46Å; I368-V371 PolarHBondContact O-N 2.9Å; V371-Q373 VanDerWaalsContact C-N 3.32Å; V371-Q373 PolarHBondContact O-N 2.95Å; V371-L374 PolarHBondContact O-N 2.89Å; V371-V375 WeakPolarHBondContact O-CG2 3.34Å; V371-V375 PolarHBondContact O-N 3.43Å
372	Q	97.6	Very high	97.6	Very high	82 Å²	82	39.1 Å²	39.1	38%	0.383	22%	0.223	S	C	.	.	H	α-helix	trans	-58.9	-43	176.7	-60.4	-174.1	-0.6	0	0	112.2	L361 T366 I368 P369 V375 K376	L361-Q372 HydrophobicContact CD1-CG 3.82Å; T366-Q372 WeakPolarHBondContact O-CG 3.33Å; T366-Q372 PolarHBondContact O-NE2 3.06Å; I368-Q372 PolarHBondContact O-N 2.98Å; P369-Q372 PolarHBondContact O-N 2.94Å; Q372-V375 PolarHBondContact O-N 2.9Å; Q372-K376 VanDerWaalsContact O-CB 3.26Å; Q372-K376 WeakPolarHBondContact O-CB 3.2Å; Q372-K376 PolarHBondContact O-N 3.24Å
373	Q	98	Very high	97.6	Very high	88 Å²	88	43.8 Å²	43.8	41%	0.411	25%	0.245	S	C	.	.	H	α-helix	trans	-59	-49.6	175.4	-176.1	-174.2	26.5	0	0	111.3	P369 V371 V375 K376 D377	P369-Q373 WeakPolarHBondContact O-CB 3.18Å; P369-Q373 PolarHBondContact O-N 2.85Å; V371-Q373 VanDerWaalsContact C-N 3.32Å; V371-Q373 PolarHBondContact O-N 2.95Å; Q373-V375 VanDerWaalsContact C-N 3.35Å; Q373-V375 PolarHBondContact O-N 3.39Å; Q373-K376 PolarHBondContact O-N 3Å; Q373-D377 WeakPolarHBondContact CG-OD2 3.37Å; Q373-D377 VanDerWaalsContact O-CB 3.3Å; Q373-D377 WeakPolarHBondContact O-CB 3.4Å; Q373-D377 PolarHBondContact O-N 2.92Å
374	L	98.3	Very high	97.5	Very high	21 Å²	21	44.2 Å²	44.2	11%	0.11	25%	0.246	C	C	.	.	H	α-helix	trans	-61.9	-41.9	-178.7	-74.9	170.5	0	0	0	112.2	F335 L339 K370 V371 F378	F335-L374 HydrophobicContact CB-CD1 3.64Å; L339-L374 HydrophobicContact CD1-CB 4.39Å; L339-L374 HydrophobicContact CD1-CD2 4.42Å; K370-L374 HydrophobicContact CG-CD1 4.3Å; K370-L374 WeakPolarHBondContact O-CB 3.34Å; K370-L374 VanDerWaalsContact O-CG 3.26Å; K370-L374 WeakPolarHBondContact O-CG 3.33Å; K370-L374 PolarHBondContact O-N 3.47Å; V371-L374 PolarHBondContact O-N 2.89Å; L374-F378 VanDerWaalsContact O-CB 3.26Å; L374-F378 WeakPolarHBondContact O-CB 3.43Å; L374-F378 PolarHBondContact O-N 3.06Å
375	V	97.8	Very high	97.4	Very high	2 Å²	2	44 Å²	44	1%	0.012	24%	0.24	C	C	.	.	H	α-helix	trans	-64.4	-48.9	176.2	174.8	0	0	0	0	110.4	F223 I359 L361 V371 Q372 Q373 D377 F378 F379	F223-V375 HydrophobicContact CD1-CG2 4.47Å; F223-V375 HydrophobicContact CD2-CG2 3.88Å; F223-V375 HydrophobicContact CE1-CG2 4.29Å; F223-V375 HydrophobicContact CE2-CG2 3.66Å; F223-V375 HydrophobicContact CG-CG2 4.28Å; F223-V375 HydrophobicContact CZ-CG2 3.88Å; I359-V375 HydrophobicContact CG2-CG1 3.81Å; L361-V375 HydrophobicContact CD2-CG1 4.38Å; V371-V375 WeakPolarHBondContact O-CG2 3.34Å; V371-V375 PolarHBondContact O-N 3.43Å; Q372-V375 PolarHBondContact O-N 2.9Å; Q373-V375 VanDerWaalsContact C-N 3.35Å; Q373-V375 PolarHBondContact O-N 3.39Å; V375-D377 PolarHBondContact O-N 3.28Å; V375-F378 WeakPolarHBondContact O-CB 3.38Å; V375-F378 PolarHBondContact O-N 2.92Å; V375-F379 HydrophobicContact CG1-CD2 4.17Å; V375-F379 HydrophobicContact CG1-CE2 4.39Å; V375-F379 WeakPolarHBondContact O-CD2 3.26Å; V375-F379 PolarHBondContact O-N 3.22Å; V375-F379 VanDerWaalsContact O-N 3.09Å
376	K	97.8	Very high	96.9	Very high	67 Å²	67	54.1 Å²	54.1	29%	0.291	28%	0.277	S	S	.	.	H	α-helix	trans	-57.9	-48.1	177	175.7	176.5	175.4	179.9	0	112.2	Q372 Q373 F378 F379 G380 G381 E383	Q372-K376 VanDerWaalsContact O-CB 3.26Å; Q372-K376 WeakPolarHBondContact O-CB 3.2Å; Q372-K376 PolarHBondContact O-N 3.24Å; Q373-K376 PolarHBondContact O-N 3Å; K376-F378 VanDerWaalsContact C-N 3.31Å; K376-F378 PolarHBondContact O-N 3.13Å; K376-F379 CarbonylContact O-C 3.38Å; K376-F379 PolarHBondContact O-N 2.87Å; K376-G380 PolarHBondContact O-N 3.19Å; K376-G381 WeakPolarHBondContact CE-O 3.36Å; K376-G381 WeakPolarHBondContact O-CA 3.13Å; K376-G381 PolarHBondContact O-N 2.99Å; K376-E383 VanDerWaalsContact CE-OE1 3.28Å; K376-E383 WeakPolarHBondContact CE-OE1 3.5Å; K376-E383 IonicContact NZ-OE1 3.16Å; K376-E383 PolarHBondContact NZ-OE1 3.02Å; K376-E383 IonicContact NZ-OE2 3.87Å
377	D	97.8	Very high	96.2	Very high	93 Å²	93	58.1 Å²	58.1	50%	0.497	32%	0.319	S	S	.	.	H	α-helix	trans	-62.9	-40.1	178.7	-70.2	-12.4	0	0	0	110.6	Q373 V375 F379 G380	Q373-D377 WeakPolarHBondContact CG-OD2 3.37Å; Q373-D377 VanDerWaalsContact O-CB 3.3Å; Q373-D377 WeakPolarHBondContact O-CB 3.4Å; Q373-D377 PolarHBondContact O-N 2.92Å; V375-D377 PolarHBondContact O-N 3.28Å; D377-F379 VanDerWaalsContact C-N 3.3Å; D377-F379 PolarHBondContact O-N 3.46Å; D377-G380 PolarHBondContact O-N 3.02Å; D377-G380 VanDerWaalsContact O-N 3.14Å
378	F	97.9	Very high	95.8	Very high	30 Å²	30	54.5 Å²	54.5	13%	0.132	31%	0.307	C	S	.	.	H	α-helix	trans	-59.8	-40.7	176.5	-174.7	-89	0	0	0	111.7	L339 V342 Q343 L346 K353 L374 V375 K376 G380	L339-F378 HydrophobicContact CB-CD2 4.33Å; L339-F378 HydrophobicContact CD1-CD2 4.21Å; L339-F378 HydrophobicContact CD2-CB 3.96Å; L339-F378 HydrophobicContact CD2-CD2 4.1Å; L339-F378 HydrophobicContact CD2-CG 4.12Å; L339-F378 HydrophobicContact CG-CD2 4.46Å; V342-F378 HydrophobicContact CB-CE1 4.44Å; V342-F378 HydrophobicContact CG1-CD1 3.84Å; V342-F378 HydrophobicContact CG1-CE1 3.44Å; V342-F378 VanDerWaalsContact CG1-CE1 3.44Å; V342-F378 HydrophobicContact CG1-CZ 3.98Å; Q343-F378 HydrophobicContact CB-CZ 4.24Å; L346-F378 HydrophobicContact CD1-CE1 3.83Å; L346-F378 HydrophobicContact CD1-CZ 4.32Å; K353-F378 HydrophobicContact CD-CD1 4.49Å; K353-F378 HydrophobicContact CD-CE1 4.29Å; K353-F378 WeakPolarHBondContact CD-O 3.16Å; K353-F378 VanDerWaalsContact CE-CE1 3.45Å; K353-F378 VanDerWaalsContact CE-O 3.23Å; K353-F378 WeakPolarHBondContact CE-O 3.16Å; K353-F378 HydrophobicContact CG-CE1 4.15Å; K353-F378 PolarHBondContact NZ-O 3.05Å; L374-F378 VanDerWaalsContact O-CB 3.26Å; L374-F378 WeakPolarHBondContact O-CB 3.43Å; L374-F378 PolarHBondContact O-N 3.06Å; V375-F378 WeakPolarHBondContact O-CB 3.38Å; V375-F378 PolarHBondContact O-N 2.92Å; K376-F378 VanDerWaalsContact C-N 3.31Å; K376-F378 PolarHBondContact O-N 3.13Å; F378-G380 VanDerWaalsContact C-N 3.31Å; F378-G380 PolarHBondContact O-N 2.83Å
379	F	98.1	Very high	95.6	Very high	16 Å²	16	57 Å²	57	7%	0.07	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	22.1	177.2	-71.8	-80.1	0	0	0	114.2	L221 V342 L346 K353 V356 I359 V375 K376 D377 G381 K382	L221-F379 HydrophobicContact CD1-CE2 4.49Å; L221-F379 HydrophobicContact CD1-CZ 3.76Å; L221-F379 HydrophobicContact CD2-CE2 4.25Å; L221-F379 HydrophobicContact CD2-CZ 4.31Å; V342-F379 HydrophobicContact CG1-CE2 3.87Å; V342-F379 HydrophobicContact CG1-CZ 3.77Å; L346-F379 HydrophobicContact CD1-CE1 4.26Å; L346-F379 HydrophobicContact CD1-CZ 4.4Å; K353-F379 HydrophobicContact CB-CD1 4.05Å; K353-F379 HydrophobicContact CB-CE1 4.36Å; K353-F379 HydrophobicContact CG-CD1 4.38Å; K353-F379 HydrophobicContact CG-CE1 4.43Å; V356-F379 HydrophobicContact CB-CD1 4.42Å; V356-F379 HydrophobicContact CB-CE1 4.03Å; V356-F379 HydrophobicContact CG1-CE1 4.29Å; V356-F379 HydrophobicContact CG2-CE1 3.8Å; I359-F379 HydrophobicContact CD1-CB 3.72Å; I359-F379 HydrophobicContact CD1-CD1 4.21Å; I359-F379 HydrophobicContact CD1-CD2 3.37Å; I359-F379 HydrophobicContact CD1-CE2 4.04Å; I359-F379 HydrophobicContact CD1-CG 3.5Å; I359-F379 VanDerWaalsContact CD1-CG 3.5Å; I359-F379 HydrophobicContact CG1-CD2 4.22Å; I359-F379 HydrophobicContact CG1-CE2 4.43Å; I359-F379 HydrophobicContact CG1-CG 4.44Å; V375-F379 HydrophobicContact CG1-CD2 4.17Å; V375-F379 HydrophobicContact CG1-CE2 4.39Å; V375-F379 WeakPolarHBondContact O-CD2 3.26Å; V375-F379 PolarHBondContact O-N 3.22Å; V375-F379 VanDerWaalsContact O-N 3.09Å; K376-F379 CarbonylContact O-C 3.38Å; K376-F379 PolarHBondContact O-N 2.87Å; D377-F379 VanDerWaalsContact C-N 3.3Å; D377-F379 PolarHBondContact O-N 3.46Å; F379-G381 PolarHBondContact O-N 2.89Å; F379-K382 HydrophobicContact CB-CB 3.96Å; F379-K382 PolarHBondContact O-N 3.24Å
380	G	96.6	Very high	95.5	Very high	74 Å²	74	56.1 Å²	56.1	76%	0.763	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	31.6	171.2	0	0	0	0	0	114.2	K376 D377 F378	K376-G380 PolarHBondContact O-N 3.19Å; D377-G380 PolarHBondContact O-N 3.02Å; D377-G380 VanDerWaalsContact O-N 3.14Å; F378-G380 VanDerWaalsContact C-N 3.31Å; F378-G380 PolarHBondContact O-N 2.83Å
381	G	96.8	Very high	95.3	Very high	38 Å²	38	56.5 Å²	56.5	39%	0.392	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.6	0.6	178.6	0	0	0	0	0	114.7	K376 F379 E383	K376-G381 WeakPolarHBondContact CE-O 3.36Å; K376-G381 WeakPolarHBondContact O-CA 3.13Å; K376-G381 PolarHBondContact O-N 2.99Å; F379-G381 PolarHBondContact O-N 2.89Å; G381-E383 PolarHBondContact O-N 3.38Å
382	K	97.3	Very high	95.2	Very high	70 Å²	70	58 Å²	58	30%	0.304	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-61.5	124.4	174.9	-167.9	-176.3	-176.6	101.1	0	110.3	V356 H357 I359 F379	V356-K382 VanDerWaalsContact O-CE 3.31Å; V356-K382 WeakPolarHBondContact O-CE 3.48Å; V356-K382 PolarHBondContact O-NZ 3.31Å; H357-K382 WeakPolarHBondContact O-CE 3.41Å; H357-K382 PolarHBondContact O-NZ 3.03Å; I359-K382 HydrophobicContact CD1-CB 4.29Å; I359-K382 HydrophobicContact CD1-CD 3.9Å; I359-K382 HydrophobicContact CD1-CG 4.25Å; I359-K382 HydrophobicContact CG1-CD 4.32Å; F379-K382 HydrophobicContact CB-CB 3.96Å; F379-K382 PolarHBondContact O-N 3.24Å
383	E	96.5	Very high	95.2	Very high	99 Å²	99	54.2 Å²	54.2	46%	0.463	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-74.8	139	177.2	-66	-68.9	174.9	0	0	110.6	K376 G381	K376-E383 VanDerWaalsContact CE-OE1 3.28Å; K376-E383 WeakPolarHBondContact CE-OE1 3.5Å; K376-E383 IonicContact NZ-OE1 3.16Å; K376-E383 PolarHBondContact NZ-OE1 3.02Å; K376-E383 IonicContact NZ-OE2 3.87Å; G381-E383 PolarHBondContact O-N 3.38Å
384	P	95.2	Very high	95.2	Very high	18 Å²	18	50.3 Å²	50.3	12%	0.117	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-61.3	149.1	167.8	-18.3	30	0	0	0	112.5	I359 L361	I359-P384 HydrophobicContact CB-CB 4.47Å; I359-P384 HydrophobicContact CG2-CB 4.4Å; I359-P384 CarbonylContact O-C 3.58Å; I359-P384 VanDerWaalsContact O-CA 3.32Å; I359-P384 WeakPolarHBondContact O-CA 3.33Å; I359-P384 WeakPolarHBondContact O-CB 3.23Å; L361-P384 HydrophobicContact CD1-CB 3.83Å; L361-P384 HydrophobicContact CD1-CG 3.76Å; L361-P384 HydrophobicContact CD2-CB 4.47Å; L361-P384 HydrophobicContact CG-CB 3.75Å; L361-P384 HydrophobicContact CG-CG 4.11Å
385	S	92.8	Very high	95.2	Very high	24 Å²	24	49.3 Å²	49.3	17%	0.168	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-61.2	141.6	178.2	-48.2	0	0	0	0	110.1	E358 I359	E358-S385 PolarHBondContact OE2-OG 2.85Å; I359-S385 PolarHBondContact N-OG 2.73Å; I359-S385 PolarHBondContact O-N 2.79Å; I359-S385 PolarHBondContact O-OG 2.94Å
386	R	88.1	Confident	95.1	Very high	221 Å²	221	52 Å²	52	83%	0.834	30%	0.296	S	S	*	.			trans	-106.4	163.7	178.6	-61.5	-178.1	-179.1	-179.3	0.4	110.1
387	G	84.1	Confident	95.1	Very high	87 Å²	87	48.9 Å²	48.9	90%	0.897	28%	0.282	S	S	*	.	S	Bend	trans	93.4	1.8	174.7	0	0	0	0	0	114.8
388	I	88.1	Confident	95.1	Very high	36 Å²	36	44.4 Å²	44.4	19%	0.185	26%	0.259	C	S	.	.			trans	-102.8	130.5	171	-55.7	166.4	0	0	0	107.7	Y209 V360 P390 A393	Y209-I388 HydrophobicContact CD2-CD1 3.53Å; Y209-I388 HydrophobicContact CD2-CG1 4.16Å; Y209-I388 HydrophobicContact CG-CD1 3.97Å; V360-I388 HydrophobicContact CB-CD1 4.05Å; V360-I388 HydrophobicContact CG1-CD1 3.36Å; V360-I388 HydrophobicContact CG2-CD1 3.64Å; I388-P390 WeakPolarHBondContact O-CD 3.21Å; I388-A393 HydrophobicContact CG2-CB 3.42Å; I388-A393 VanDerWaalsContact CG2-CB 3.42Å
389	N	94.1	Very high	95	Very high	59 Å²	59	43 Å²	43	32%	0.316	25%	0.252	S	S	.	.			trans	-80.4	113.6	171.7	-174.7	-10.8	0	0	0	109.2	D391 E392 A393	N389-D391 PolarHBondContact O-N 2.95Å; N389-D391 VanDerWaalsContact O-N 3.12Å; N389-D391 PolarHBondContact OD1-N 3.37Å; N389-E392 HydrophobicContact CB-CB 4.14Å; N389-E392 HydrophobicContact CB-CG 4.49Å; N389-E392 WeakPolarHBondContact ND2-CG 3.46Å; N389-E392 PolarHBondContact ND2-OE1 2.91Å; N389-E392 PolarHBondContact ND2-OE2 3.28Å; N389-E392 PolarHBondContact O-N 3.49Å; N389-E392 VanDerWaalsContact O-N 3.15Å; N389-A393 WeakPolarHBondContact O-CB 3.28Å; N389-A393 PolarHBondContact O-N 2.95Å
390	P	95.1	Very high	94.8	Very high	19 Å²	19	42.2 Å²	42.2	12%	0.123	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-19.5	-174.5	27.5	-36.7	0	0	0	113.6	G363 I388	G363-P390 PolarHBondContact N-O 2.99Å; I388-P390 WeakPolarHBondContact O-CD 3.21Å
391	D	94.7	Very high	94.7	Very high	43 Å²	43	39.2 Å²	39.2	23%	0.23	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-13.7	-179.5	-55.6	-50.4	0	0	0	112.9	I62 G364 R367 N389	I62-D391 HydrophobicContact CG2-CB 4.47Å; G364-D391 WeakPolarHBondContact CA-OD1 3.17Å; R367-D391 IonicContact CZ-OD2 2.61Å; R367-D391 IonicContact NE-OD2 3.95Å; R367-D391 PolarHBondContact NE-OD2 3.03Å; R367-D391 IonicContact NH2-OD2 3.95Å; R367-D391 PolarHBondContact NH2-OD2 3.19Å; N389-D391 PolarHBondContact O-N 2.95Å; N389-D391 VanDerWaalsContact O-N 3.12Å; N389-D391 PolarHBondContact OD1-N 3.37Å
392	E	96.9	Very high	94.6	Very high	30 Å²	30	37.4 Å²	37.4	14%	0.14	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.1	-18.5	-174.1	-63.3	172.4	177.3	0	0	113	I53 R61 N389 V394 A395 Y396	I53-E392 HydrophobicContact CG1-CB 4.31Å; I53-E392 HydrophobicContact CG2-CG 4.25Å; R61-E392 WeakPolarHBondContact CD-OE1 3.24Å; R61-E392 IonicContact NH1-OE1 2.66Å; R61-E392 IonicContact NH1-OE2 2.74Å; N389-E392 HydrophobicContact CB-CB 4.14Å; N389-E392 HydrophobicContact CB-CG 4.49Å; N389-E392 WeakPolarHBondContact ND2-CG 3.46Å; N389-E392 PolarHBondContact ND2-OE1 2.91Å; N389-E392 PolarHBondContact ND2-OE2 3.28Å; N389-E392 PolarHBondContact O-N 3.49Å; N389-E392 VanDerWaalsContact O-N 3.15Å; E392-V394 VanDerWaalsContact C-N 3.28Å; E392-V394 PolarHBondContact O-N 2.84Å; E392-A395 PolarHBondContact O-N 2.93Å; E392-Y396 WeakPolarHBondContact O-CB 3.41Å; E392-Y396 PolarHBondContact O-N 3.24Å
393	A	96.6	Very high	94.4	Very high	4 Å²	4	34.1 Å²	34.1	3%	0.033	18%	0.182	C	C	.	.	H	α-helix	trans	-57.6	-37.5	-173.1	0	0	0	0	0	114	A205 A208 I388 N389 Y396 G397	A205-A393 HydrophobicContact CB-CB 4.22Å; A208-A393 HydrophobicContact CB-CB 4.28Å; A208-A393 VanDerWaalsContact CB-O 3.25Å; A208-A393 WeakPolarHBondContact CB-O 3.3Å; I388-A393 HydrophobicContact CG2-CB 3.42Å; I388-A393 VanDerWaalsContact CG2-CB 3.42Å; N389-A393 WeakPolarHBondContact O-CB 3.28Å; N389-A393 PolarHBondContact O-N 2.95Å; A393-Y396 WeakPolarHBondContact O-CB 3.46Å; A393-Y396 PolarHBondContact O-N 2.85Å; A393-G397 PolarHBondContact O-N 2.85Å
394	V	98	Very high	94.1	Very high	5 Å²	5	31.3 Å²	31.3	3%	0.03	17%	0.172	C	C	.	.	H	α-helix	trans	-67.4	-51.2	179.1	176.5	0	0	0	0	110.5	D35 T171 E201 A204 A205 V362 E392 Y396 G397 A398	D35-V394 HydrophobicContact CB-CB 4.24Å; D35-V394 HydrophobicContact CB-CG1 3.86Å; D35-V394 VanDerWaalsContact CG-CG1 3.48Å; T171-V394 HydrophobicContact CG2-CG1 3.43Å; T171-V394 VanDerWaalsContact CG2-CG1 3.43Å; E201-V394 HydrophobicContact CB-CG1 4.13Å; E201-V394 HydrophobicContact CB-CG2 4.31Å; E201-V394 HydrophobicContact CG-CG1 3.86Å; A204-V394 HydrophobicContact CB-CG1 4.31Å; A204-V394 WeakPolarHBondContact CB-O 3.46Å; A205-V394 HydrophobicContact CB-CG2 4.35Å; V362-V394 HydrophobicContact CG1-CG2 3.53Å; E392-V394 VanDerWaalsContact C-N 3.28Å; E392-V394 PolarHBondContact O-N 2.84Å; V394-Y396 PolarHBondContact O-N 2.84Å; V394-G397 PolarHBondContact O-N 2.71Å; V394-A398 WeakPolarHBondContact O-CB 2.98Å; V394-A398 PolarHBondContact O-N 3.01Å
395	A	98.2	Very high	93.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.8	-35.1	175.6	0	0	0	0	0	111.8	D35 C42 I53 E392 A398 A399	D35-A395 HydrophobicContact CB-CB 3.82Å; C42-A395 HydrophobicContact CB-CB 3.69Å; C42-A395 WeakPolarHBondContact SG-CB 3.25Å; I53-A395 HydrophobicContact CD1-CB 4.18Å; E392-A395 PolarHBondContact O-N 2.93Å; A395-A398 PolarHBondContact O-N 3.18Å; A395-A399 WeakPolarHBondContact O-CB 3.46Å; A395-A399 PolarHBondContact O-N 3.38Å
396	Y	97.1	Very high	93.6	Very high	60 Å²	60	33 Å²	33	24%	0.235	18%	0.18	C	C	.	.	H	α-helix	trans	-60.2	-52.6	175.8	-170	-69.7	0	0	0	111.2	V51 A208 L211 E392 A393 V394 A398 A399 V400	V51-Y396 HydrophobicContact CB-CD1 4.26Å; V51-Y396 HydrophobicContact CB-CD2 3.74Å; V51-Y396 HydrophobicContact CB-CE1 4.01Å; V51-Y396 HydrophobicContact CB-CE2 3.5Å; V51-Y396 VanDerWaalsContact CB-CE2 3.5Å; V51-Y396 HydrophobicContact CB-CG 4.11Å; V51-Y396 HydrophobicContact CG1-CD1 4.42Å; V51-Y396 HydrophobicContact CG1-CD2 3.65Å; V51-Y396 HydrophobicContact CG1-CE2 3.96Å; V51-Y396 HydrophobicContact CG1-CG 3.91Å; V51-Y396 HydrophobicContact CG2-CD1 3.84Å; V51-Y396 HydrophobicContact CG2-CD2 4.26Å; V51-Y396 HydrophobicContact CG2-CE1 3.55Å; V51-Y396 HydrophobicContact CG2-CE2 4.03Å; V51-Y396 HydrophobicContact CG2-CG 4.17Å; A208-Y396 HydrophobicContact CB-CD1 3.57Å; A208-Y396 HydrophobicContact CB-CE1 4.41Å; A208-Y396 HydrophobicContact CB-CG 4Å; L211-Y396 HydrophobicContact CD2-CE1 4.05Å; E392-Y396 WeakPolarHBondContact O-CB 3.41Å; E392-Y396 PolarHBondContact O-N 3.24Å; A393-Y396 WeakPolarHBondContact O-CB 3.46Å; A393-Y396 PolarHBondContact O-N 2.85Å; V394-Y396 PolarHBondContact O-N 2.84Å; Y396-A398 VanDerWaalsContact C-N 3.34Å; Y396-A398 PolarHBondContact O-N 2.82Å; Y396-A399 WeakPolarHBondContact O-CB 3.43Å; Y396-A399 PolarHBondContact O-N 2.97Å; Y396-A399 VanDerWaalsContact O-N 3.17Å; Y396-V400 HydrophobicContact CD1-CG2 4.02Å; Y396-V400 HydrophobicContact CE1-CG2 3.87Å; Y396-V400 WeakPolarHBondContact O-CG2 3.31Å; Y396-V400 PolarHBondContact O-N 2.81Å
397	G	96.2	Very high	93.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64	-37.7	177.7	0	0	0	0	0	113.6	A204 A393 V394 A399 V400 Q401	A204-G397 VanDerWaalsContact O-CA 3.24Å; A204-G397 WeakPolarHBondContact O-CA 3.37Å; A393-G397 PolarHBondContact O-N 2.85Å; V394-G397 PolarHBondContact O-N 2.71Å; G397-A399 VanDerWaalsContact C-N 3.29Å; G397-A399 PolarHBondContact O-N 2.78Å; G397-V400 PolarHBondContact O-N 2.92Å; G397-Q401 PolarHBondContact O-N 3.17Å
398	A	97.6	Very high	93	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.2	-38	173.8	0	0	0	0	0	111.6	V169 T171 I199 V394 A395 Y396 Q401 A402	V169-A398 HydrophobicContact CG1-CB 4.29Å; T171-A398 HydrophobicContact CG2-CB 3.81Å; I199-A398 HydrophobicContact CG2-CB 4.19Å; V394-A398 WeakPolarHBondContact O-CB 2.98Å; V394-A398 PolarHBondContact O-N 3.01Å; A395-A398 PolarHBondContact O-N 3.18Å; Y396-A398 VanDerWaalsContact C-N 3.34Å; Y396-A398 PolarHBondContact O-N 2.82Å; A398-Q401 PolarHBondContact O-N 2.9Å; A398-A402 WeakPolarHBondContact O-CB 3.33Å; A398-A402 PolarHBondContact O-N 2.84Å
399	A	97	Very high	91.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-68.7	-39.1	176.2	0	0	0	0	0	112.1	Y46 V51 A395 Y396 G397 A402 G403	Y46-A399 WeakPolarHBondContact CB-O 3.3Å; V51-A399 HydrophobicContact CG1-CB 3.83Å; V51-A399 HydrophobicContact CG2-CB 4.32Å; A395-A399 WeakPolarHBondContact O-CB 3.46Å; A395-A399 PolarHBondContact O-N 3.38Å; Y396-A399 WeakPolarHBondContact O-CB 3.43Å; Y396-A399 PolarHBondContact O-N 2.97Å; Y396-A399 VanDerWaalsContact O-N 3.17Å; G397-A399 VanDerWaalsContact C-N 3.29Å; G397-A399 PolarHBondContact O-N 2.78Å; A399-A402 WeakPolarHBondContact O-CB 3.29Å; A399-A402 PolarHBondContact O-N 3.03Å; A399-G403 PolarHBondContact O-N 2.93Å
400	V	94.5	Very high	90.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.9	-48.5	171.3	176.6	0	0	0	0	110.5	Y46 V51 I207 L211 Y396 G397 A402 G403 V404 I414	Y46-V400 HydrophobicContact CD2-CG2 4.28Å; V51-V400 HydrophobicContact CG2-CG2 3.51Å; I207-V400 HydrophobicContact CG2-CB 3.72Å; I207-V400 HydrophobicContact CG2-CG1 3.6Å; I207-V400 HydrophobicContact CG2-CG2 4.14Å; L211-V400 HydrophobicContact CD1-CG1 4.22Å; L211-V400 HydrophobicContact CD2-CG2 4.02Å; Y396-V400 HydrophobicContact CD1-CG2 4.02Å; Y396-V400 HydrophobicContact CE1-CG2 3.87Å; Y396-V400 WeakPolarHBondContact O-CG2 3.31Å; Y396-V400 PolarHBondContact O-N 2.81Å; G397-V400 PolarHBondContact O-N 2.92Å; V400-A402 VanDerWaalsContact C-N 3.26Å; V400-A402 PolarHBondContact O-N 2.85Å; V400-G403 WeakPolarHBondContact O-CA 3.48Å; V400-G403 PolarHBondContact O-N 2.7Å; V400-G403 VanDerWaalsContact O-N 3.07Å; V400-V404 WeakPolarHBondContact O-CG2 3.41Å; V400-V404 PolarHBondContact O-N 2.99Å; V400-I414 HydrophobicContact CG1-CD1 3.34Å
401	Q	94.1	Very high	89.7	Confident	11 Å²	11	32.4 Å²	32.4	5%	0.051	18%	0.178	C	C	.	.	H	α-helix	trans	-61.7	-35.4	177.4	-175.1	61.7	42.5	0	0	112.1	V169 I199 G397 A398 V404 L405	V169-Q401 HydrophobicContact CG1-CB 4.43Å; V169-Q401 HydrophobicContact CG1-CG 4.33Å; V169-Q401 HydrophobicContact CG2-CG 4.39Å; I199-Q401 HydrophobicContact CD1-CB 3.99Å; I199-Q401 HydrophobicContact CD1-CG 4.11Å; G397-Q401 PolarHBondContact O-N 3.17Å; A398-Q401 PolarHBondContact O-N 2.9Å; Q401-V404 PolarHBondContact O-N 3.04Å; Q401-L405 HydrophobicContact CG-CD1 4.29Å; Q401-L405 VanDerWaalsContact O-CG 3.3Å; Q401-L405 WeakPolarHBondContact O-CG 3.35Å; Q401-L405 PolarHBondContact O-N 2.97Å; Q401-L405 VanDerWaalsContact O-N 3.12Å
402	A	95.1	Very high	88.4	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-63.2	-43.8	173	0	0	0	0	0	111.5	V31 V169 A398 A399 V400 L405 S406	V31-A402 HydrophobicContact CB-CB 3.94Å; V31-A402 HydrophobicContact CG1-CB 3.65Å; V31-A402 WeakPolarHBondContact O-CB 3.36Å; V169-A402 HydrophobicContact CB-CB 4.33Å; V169-A402 HydrophobicContact CG2-CB 3.84Å; A398-A402 WeakPolarHBondContact O-CB 3.33Å; A398-A402 PolarHBondContact O-N 2.84Å; A399-A402 WeakPolarHBondContact O-CB 3.29Å; A399-A402 PolarHBondContact O-N 3.03Å; V400-A402 VanDerWaalsContact C-N 3.26Å; V400-A402 PolarHBondContact O-N 2.85Å; A402-L405 PolarHBondContact O-N 3.07Å; A402-L405 VanDerWaalsContact O-N 3.16Å; A402-S406 PolarHBondContact O-N 3.26Å; A402-S406 PolarHBondContact O-OG 2.92Å
403	G	92.7	Very high	87.5	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-59.1	-43.8	173.9	0	0	0	0	0	113.4	A399 V400 L405 S406 G407 E408	A399-G403 PolarHBondContact O-N 2.93Å; V400-G403 WeakPolarHBondContact O-CA 3.48Å; V400-G403 PolarHBondContact O-N 2.7Å; V400-G403 VanDerWaalsContact O-N 3.07Å; G403-L405 VanDerWaalsContact C-N 3.29Å; G403-L405 PolarHBondContact O-N 3.38Å; G403-S406 WeakPolarHBondContact CA-OG 3.36Å; G403-S406 PolarHBondContact O-N 3.28Å; G403-S406 PolarHBondContact O-OG 3.24Å; G403-G407 PolarHBondContact O-N 3.45Å; G403-G407 VanDerWaalsContact O-N 3.11Å; G403-E408 PolarHBondContact O-N 3.35Å
404	V	90.5	Very high	87	Confident	39 Å²	39	40.2 Å²	40.2	24%	0.236	23%	0.23	C	C	.	.	H	α-helix	trans	-57.7	-42.8	173.5	176.1	0	0	0	0	110.9	V400 Q401 G407 T411 I414	V400-V404 WeakPolarHBondContact O-CG2 3.41Å; V400-V404 PolarHBondContact O-N 2.99Å; Q401-V404 PolarHBondContact O-N 3.04Å; V404-G407 PolarHBondContact O-N 3.49Å; V404-T411 WeakPolarHBondContact CA-OG1 3.49Å; V404-T411 HydrophobicContact CG2-CG2 4.48Å; V404-I414 HydrophobicContact CG2-CB 4.03Å; V404-I414 HydrophobicContact CG2-CD1 4.15Å; V404-I414 HydrophobicContact CG2-CG2 4.43Å
405	L	89.1	Confident	86.5	Confident	47 Å²	47	43.4 Å²	43.4	25%	0.246	25%	0.249	C	C	.	.	H	α-helix	trans	-76.5	-25.9	-177.6	-68.4	169.1	0	0	0	113.6	V169 M196 R197 Q401 A402 G403	V169-L405 HydrophobicContact CG2-CD1 3.73Å; M196-L405 HydrophobicContact CB-CD1 4.07Å; R197-L405 HydrophobicContact CB-CD1 3.7Å; Q401-L405 HydrophobicContact CG-CD1 4.29Å; Q401-L405 VanDerWaalsContact O-CG 3.3Å; Q401-L405 WeakPolarHBondContact O-CG 3.35Å; Q401-L405 PolarHBondContact O-N 2.97Å; Q401-L405 VanDerWaalsContact O-N 3.12Å; A402-L405 PolarHBondContact O-N 3.07Å; A402-L405 VanDerWaalsContact O-N 3.16Å; G403-L405 VanDerWaalsContact C-N 3.29Å; G403-L405 PolarHBondContact O-N 3.38Å
406	S	86.9	Confident	86.2	Confident	31 Å²	31	45.4 Å²	45.4	22%	0.217	26%	0.26	C	S	.	.	H	α-helix	trans	-86.3	-6.2	173.3	56.2	0	0	0	0	113.8	A402 G403 E408	A402-S406 PolarHBondContact O-N 3.26Å; A402-S406 PolarHBondContact O-OG 2.92Å; G403-S406 WeakPolarHBondContact CA-OG 3.36Å; G403-S406 PolarHBondContact O-N 3.28Å; G403-S406 PolarHBondContact O-OG 3.24Å; S406-E408 WeakPolarHBondContact OG-CG 3.19Å
407	G	82.8	Confident	86	Confident	55 Å²	55	45.4 Å²	45.4	57%	0.567	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	31.4	-177.9	0	0	0	0	0	113.5	G403 V404	G403-G407 PolarHBondContact O-N 3.45Å; G403-G407 VanDerWaalsContact O-N 3.11Å; V404-G407 PolarHBondContact O-N 3.49Å
408	E	76.8	Confident	85.9	Confident	62 Å²	62	46.1 Å²	46.1	29%	0.29	27%	0.268	S	S	.	.			trans	-65.1	145.3	174.5	-72.7	-74.8	164.1	0	0	110.5	Y46 G403 S406 T411	Y46-E408 HydrophobicContact CD1-CB 3.85Å; Y46-E408 HydrophobicContact CD1-CG 4.35Å; Y46-E408 HydrophobicContact CE1-CB 4.22Å; G403-E408 PolarHBondContact O-N 3.35Å; S406-E408 WeakPolarHBondContact OG-CG 3.19Å; E408-T411 HydrophobicContact CB-CG2 4.5Å; E408-T411 PolarHBondContact O-N 2.91Å; E408-T411 PolarHBondContact O-OG1 2.8Å
409	Q	66.3	Low	85.7	Confident	158 Å²	158	46.2 Å²	46.2	74%	0.738	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	148.5	-177.8	-67.3	-179	-1.5	0	0	111.6	T411	Q409-T411 VanDerWaalsContact C-N 3.26Å; Q409-T411 PolarHBondContact O-N 2.87Å
410	D	69.3	Low	85.3	Confident	134 Å²	134	46.5 Å²	46.5	72%	0.717	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	7.9	178.1	-54.7	-40.4	0	0	0	116.7
411	T	73.6	Confident	84.8	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.006	27%	0.274	C	S	.	.			trans	-98.8	-9.8	178.8	65.4	0	0	0	0	114.7	Y46 V404 E408 Q409 A413 I414	Y46-T411 HydrophobicContact CD1-CG2 3.97Å; Y46-T411 HydrophobicContact CE1-CG2 3.52Å; Y46-T411 HydrophobicContact CE2-CG2 4.2Å; Y46-T411 HydrophobicContact CG-CG2 4.47Å; V404-T411 WeakPolarHBondContact CA-OG1 3.49Å; V404-T411 HydrophobicContact CG2-CG2 4.48Å; E408-T411 HydrophobicContact CB-CG2 4.5Å; E408-T411 PolarHBondContact O-N 2.91Å; E408-T411 PolarHBondContact O-OG1 2.8Å; Q409-T411 VanDerWaalsContact C-N 3.26Å; Q409-T411 PolarHBondContact O-N 2.87Å; T411-A413 PolarHBondContact O-N 2.95Å; T411-I414 PolarHBondContact O-N 2.85Å; T411-I414 VanDerWaalsContact O-N 3.13Å
412	D	66.7	Low	84.5	Confident	147 Å²	147	47.7 Å²	47.7	79%	0.786	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-20.1	-173	-65.7	-27.1	0	0	0	115.2
413	A	78.4	Confident	84.3	Confident	72 Å²	72	47.7 Å²	47.7	60%	0.595	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-7.3	-177.6	0	0	0	0	0	113.8	T411	T411-A413 PolarHBondContact O-N 2.95Å
414	I	85.5	Confident	84.2	Confident	22 Å²	22	48.1 Å²	48.1	11%	0.113	28%	0.279	C	S	.	.			trans	-86.8	116.5	-174.7	-57.3	176.6	0	0	0	109.8	L211 G240 F242 V400 V404 T411	L211-I414 HydrophobicContact CD1-CD1 3.6Å; G240-I414 WeakPolarHBondContact O-CA 3.46Å; F242-I414 HydrophobicContact CD2-CG2 4.17Å; F242-I414 HydrophobicContact CE2-CG2 4.04Å; V400-I414 HydrophobicContact CG1-CD1 3.34Å; V404-I414 HydrophobicContact CG2-CB 4.03Å; V404-I414 HydrophobicContact CG2-CD1 4.15Å; V404-I414 HydrophobicContact CG2-CG2 4.43Å; T411-I414 PolarHBondContact O-N 2.85Å; T411-I414 VanDerWaalsContact O-N 3.13Å
415	V	89.2	Confident	84.3	Confident	71 Å²	71	46.2 Å²	46.2	43%	0.43	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	125.3	176.1	-179.2	0	0	0	0	108.9	G240 V241 F242	G240-V415 PolarHBondContact O-N 2.82Å; V241-V415 WeakPolarHBondContact CA-O 3.33Å; V241-V415 HydrophobicContact CG2-CB 4.33Å; F242-V415 PolarHBondContact N-O 2.93Å
416	L	91.2	Very high	84.5	Confident	42 Å²	42	44.4 Å²	44.4	22%	0.22	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	125	178.8	178.2	63.9	0	0	0	111.4	I199 T203 F242	I199-L416 HydrophobicContact CD1-CD2 4.31Å; T203-L416 HydrophobicContact CG2-CD1 3.17Å; T203-L416 HydrophobicContact CG2-CD2 3.71Å; T203-L416 HydrophobicContact CG2-CG 4.03Å; F242-L416 HydrophobicContact CB-CD1 3.98Å
417	L	92.9	Very high	84.6	Confident	61 Å²	61	45.9 Å²	45.9	32%	0.319	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	99.3	172.9	-62.5	168.9	0	0	0	108	V241 F242 E243 V244 V442	V241-L417 HydrophobicContact CG1-CD1 4.45Å; F242-L417 PolarHBondContact O-N 3.33Å; E243-L417 CarbonylContact C-O 3.51Å; E243-L417 WeakPolarHBondContact CA-O 3.35Å; E243-L417 HydrophobicContact CB-CB 4.26Å; E243-L417 HydrophobicContact CB-CD1 4.41Å; E243-L417 HydrophobicContact CG-CB 4.17Å; E243-L417 HydrophobicContact CG-CD1 4.4Å; V244-L417 PolarHBondContact N-O 3.28Å; L417-V442 HydrophobicContact CB-CG1 4.26Å; L417-V442 HydrophobicContact CD2-CG1 4.19Å
418	D	93.5	Very high	84.8	Confident	15 Å²	15	45.1 Å²	45.1	8%	0.08	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	176.6	178.3	-146.7	-41.8	0	0	0	110.6	N200 T203 V244 V442 I443	N200-D418 PolarHBondContact ND2-OD1 3.48Å; N200-D418 PolarHBondContact ND2-OD2 2.89Å; T203-D418 WeakPolarHBondContact CB-OD2 3.48Å; T203-D418 PolarHBondContact OG1-OD2 2.88Å; V244-D418 HydrophobicContact CG2-CB 4.43Å; D418-V442 CarbonylContact O-C 3.45Å; D418-V442 VanDerWaalsContact O-CA 3.3Å; D418-V442 WeakPolarHBondContact O-CA 3.3Å; D418-I443 HydrophobicContact CB-CD1 4.39Å; D418-I443 HydrophobicContact CB-CG1 4.2Å; D418-I443 WeakPolarHBondContact O-CG1 3.45Å; D418-I443 PolarHBondContact O-N 3.28Å
419	V	92.7	Very high	84.8	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	160.8	-177.8	-61.2	0	0	0	0	113.1	V244 T247 N440 T441 V442	V244-V419 HydrophobicContact CB-CG1 4.38Å; V244-V419 HydrophobicContact CB-CG2 4.21Å; V244-V419 HydrophobicContact CG1-CG2 3.69Å; V244-V419 WeakPolarHBondContact O-CG1 3.32Å; T247-V419 HydrophobicContact CG2-CG2 4.06Å; V419-N440 HydrophobicContact CG2-CB 4.46Å; V419-T441 VanDerWaalsContact CA-O 3.24Å; V419-T441 WeakPolarHBondContact CA-O 3.49Å; V419-T441 WeakPolarHBondContact CB-O 3.04Å; V419-V442 HydrophobicContact CG1-CG2 4.29Å
420	N	90	Very high	85.3	Confident	6 Å²	6	43.7 Å²	43.7	3%	0.032	26%	0.264	C	S	.	.			trans	-78.2	131.6	168.5	66.6	-57.7	0	0	0	111.2	L422 P438 N440 T441 I443 I503	N420-L422 PolarHBondContact ND2-O 2.99Å; N420-L422 PolarHBondContact O-N 2.83Å; N420-P438 PolarHBondContact ND2-O 3.05Å; N420-P438 PolarHBondContact OD1-O 3.04Å; N420-N440 PolarHBondContact O-N 2.58Å; N420-T441 PolarHBondContact N-O 2.77Å; N420-T441 VanDerWaalsContact N-O 3.09Å; N420-T441 VanDerWaalsContact OD1-CA 3.31Å; N420-T441 WeakPolarHBondContact OD1-CA 3.13Å; N420-T441 WeakPolarHBondContact OD1-CB 3.37Å; N420-T441 PolarHBondContact OD1-N 3.25Å; N420-T441 PolarHBondContact OD1-O 2.97Å; N420-I443 HydrophobicContact CB-CG2 4.21Å; N420-I503 HydrophobicContact CB-CD1 3.89Å
421	P	84.2	Confident	86.1	Confident	13 Å²	13	38 Å²	38	8%	0.084	24%	0.237	C	C	.	.	S	Bend	trans	-75.8	-23.6	-175.3	29.8	-37	0	0	0	114.1	A174 Y175 T247	A174-P421 WeakPolarHBondContact O-CB 3.2Å; A174-P421 WeakPolarHBondContact O-CG 3.28Å; Y175-P421 HydrophobicContact CD2-CB 3.85Å; Y175-P421 HydrophobicContact CE2-CB 4.31Å; T247-P421 HydrophobicContact CG2-CB 3.93Å
422	L	86.5	Confident	86.6	Confident	23 Å²	23	41 Å²	41	12%	0.12	26%	0.255	C	S	.	.	S	Bend	trans	-127.3	142.3	-172.5	-63.8	172.8	0	0	0	110.8	Y175 N177 N420 M424 E467	Y175-L422 HydrophobicContact CE1-CD2 4.08Å; Y175-L422 HydrophobicContact CE2-CD2 3.94Å; Y175-L422 WeakPolarHBondContact OH-CD2 2.95Å; N177-L422 HydrophobicContact CB-CD1 4.32Å; N420-L422 PolarHBondContact ND2-O 2.99Å; N420-L422 PolarHBondContact O-N 2.83Å; L422-M424 PolarHBondContact O-N 3.17Å; L422-E467 HydrophobicContact CB-CB 4.23Å; L422-E467 HydrophobicContact CD1-CB 4.31Å; L422-E467 HydrophobicContact CD1-CG 4.14Å
423	T	90.8	Very high	87.7	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.006	22%	0.221	C	C	.	.			trans	-63.7	130	172.3	-66.5	0	0	0	0	110.8	K435 I437 R439 E467 G468 E469	T423-K435 HydrophobicContact CG2-CB 3.77Å; T423-K435 HydrophobicContact CG2-CD 3.71Å; T423-K435 HydrophobicContact CG2-CG 3.59Å; T423-I437 CarbonylContact C-O 2.93Å; T423-I437 WeakPolarHBondContact CA-O 3.36Å; T423-R439 PolarHBondContact OG1-N 2.77Å; T423-E467 CarbonylContact O-C 3.6Å; T423-E467 VanDerWaalsContact O-CA 3.29Å; T423-E467 WeakPolarHBondContact O-CA 3.45Å; T423-G468 PolarHBondContact O-N 2.99Å; T423-E469 WeakPolarHBondContact CB-OE1 3.4Å; T423-E469 PolarHBondContact N-OE1 2.82Å; T423-E469 PolarHBondContact OG1-OE1 2.93Å; T423-E469 PolarHBondContact OG1-OE2 2.89Å
424	M	91.8	Very high	88.4	Confident	9 Å²	9	32.9 Å²	32.9	4%	0.044	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	141	172.8	-60.9	-62.3	-142.9	0	0	111.2	L422 L436 I437 E467 L479 F501 I503 L509	L422-M424 PolarHBondContact O-N 3.17Å; M424-L436 PolarHBondContact O-N 2.82Å; M424-I437 HydrophobicContact CB-CB 4.22Å; M424-I437 PolarHBondContact N-O 3.41Å; M424-I437 PolarHBondContact O-N 3.01Å; M424-I437 VanDerWaalsContact O-N 3.17Å; M424-E467 HydrophobicContact SD-CB 3.72Å; M424-L479 HydrophobicContact CE-CD1 3.56Å; M424-L479 HydrophobicContact SD-CD1 3.57Å; M424-L479 VanDerWaalsContact SD-CD1 3.57Å; M424-F501 HydrophobicContact CB-CD1 3.92Å; M424-F501 HydrophobicContact CB-CE1 4.01Å; M424-I503 HydrophobicContact CG-CD1 4.1Å; M424-L509 HydrophobicContact CE-CB 3.71Å; M424-L509 HydrophobicContact CE-CD1 4.42Å; M424-L509 HydrophobicContact CE-CD2 3.56Å; M424-L509 HydrophobicContact CE-CG 4.07Å; M424-L509 HydrophobicContact SD-CD2 4.07Å
425	G	92.4	Very high	88.7	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	-172.8	179.7	0	0	0	0	0	113.7	M433 T434 V465 Y466	G425-M433 VanDerWaalsContact CA-CE 3.4Å; G425-M433 VanDerWaalsContact N-CE 3.29Å; G425-T434 CarbonylContact C-O 3.58Å; G425-T434 WeakPolarHBondContact CA-O 3.49Å; G425-V465 WeakPolarHBondContact O-CA 3.39Å; G425-Y466 PolarHBondContact N-O 2.75Å; G425-Y466 PolarHBondContact O-N 2.84Å
426	I	93.3	Very high	88.9	Confident	8 Å²	8	34 Å²	34	4%	0.041	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	157.8	179.8	65.7	171.9	0	0	0	112.4	T428 T434 L436 F451 I463 Q464 V465 F501	I426-T428 HydrophobicContact CD1-CG2 4.49Å; I426-T428 HydrophobicContact CG1-CG2 4.29Å; I426-T434 PolarHBondContact N-O 3.41Å; I426-T434 PolarHBondContact O-N 2.78Å; I426-L436 HydrophobicContact CG1-CD1 4.27Å; I426-F451 HydrophobicContact CD1-CD1 3.99Å; I426-F451 HydrophobicContact CD1-CD2 3.93Å; I426-F451 HydrophobicContact CD1-CE1 3.6Å; I426-F451 HydrophobicContact CD1-CE2 3.51Å; I426-F451 HydrophobicContact CD1-CG 4.16Å; I426-F451 HydrophobicContact CD1-CZ 3.34Å; I426-F451 HydrophobicContact CG1-CE1 4.28Å; I426-F451 HydrophobicContact CG1-CE2 4.48Å; I426-F451 HydrophobicContact CG1-CZ 3.98Å; I426-I463 HydrophobicContact CG2-CG2 3.95Å; I426-Q464 CarbonylContact C-O 3.59Å; I426-Q464 WeakPolarHBondContact CA-O 3.35Å; I426-Q464 WeakPolarHBondContact CB-O 3.38Å; I426-V465 HydrophobicContact CG2-CG2 4.37Å; I426-F501 HydrophobicContact CG2-CE2 3.71Å; I426-F501 HydrophobicContact CG2-CZ 3.45Å; I426-F501 VanDerWaalsContact CG2-CZ 3.45Å
427	E	89.8	Confident	89.1	Confident	63 Å²	63	32 Å²	32	29%	0.294	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	131.2	165.6	-173	166.5	95.4	0	0	111.1	Q464 Y466 T473	E427-Q464 HydrophobicContact CB-CB 4.17Å; E427-Q464 PolarHBondContact N-O 2.95Å; E427-Q464 PolarHBondContact OE1-NE2 3.2Å; E427-Y466 HydrophobicContact CB-CD2 4.45Å; E427-Y466 HydrophobicContact CB-CE2 3.7Å; E427-T473 HydrophobicContact CB-CG2 3.68Å; E427-T473 HydrophobicContact CG-CG2 3.89Å; E427-T473 WeakPolarHBondContact OE2-CB 3.28Å; E427-T473 PolarHBondContact OE2-OG1 3.45Å
428	T	85.1	Confident	89.1	Confident	39 Å²	39	32.3 Å²	32.3	24%	0.239	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	174.1	169.7	51.9	0	0	0	0	110.5	I426 G430 G431 V432 T434 F451	I426-T428 HydrophobicContact CD1-CG2 4.49Å; I426-T428 HydrophobicContact CG1-CG2 4.29Å; T428-G430 PolarHBondContact O-N 3.45Å; T428-G431 PolarHBondContact O-N 3.3Å; T428-V432 PolarHBondContact N-O 2.66Å; T428-V432 PolarHBondContact O-N 3Å; T428-V432 PolarHBondContact OG1-O 3.35Å; T428-T434 HydrophobicContact CG2-CG2 4.49Å; T428-T434 WeakPolarHBondContact CG2-OG1 3.48Å; T428-T434 PolarHBondContact OG1-OG1 2.68Å; T428-F451 HydrophobicContact CG2-CD1 4.46Å; T428-F451 HydrophobicContact CG2-CE1 4.05Å
429	V	78	Confident	89	Confident	126 Å²	126	34.8 Å²	34.8	76%	0.764	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-46.8	126.8	-176.6	178.8	0	0	0	0	111.1	A454	V429-A454 HydrophobicContact CG2-CB 4.13Å
430	G	77.5	Confident	89	Confident	63 Å²	63	36 Å²	36	65%	0.649	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.2	5.4	-178.7	0	0	0	0	0	115.3	T428 V432 M472	T428-G430 PolarHBondContact O-N 3.45Å; G430-V432 VanDerWaalsContact C-N 3.35Å; G430-M472 WeakPolarHBondContact O-CE 3.32Å
431	G	84.3	Confident	89.3	Confident	15 Å²	15	37.2 Å²	37.2	16%	0.155	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	23.7	-179	0	0	0	0	0	113	T428 M472 T473	T428-G431 PolarHBondContact O-N 3.3Å; G431-M472 WeakPolarHBondContact O-CA 3.42Å; G431-M472 WeakPolarHBondContact O-CE 3.3Å; G431-T473 PolarHBondContact O-N 2.76Å; G431-T473 PolarHBondContact O-OG1 2.87Å; G431-T473 VanDerWaalsContact O-OG1 3.05Å
432	V	85.8	Confident	89.8	Confident	63 Å²	63	39.2 Å²	39.2	38%	0.382	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	135	-176.8	-179.6	0	0	0	0	109.7	T428 G430 T434 M472	T428-V432 PolarHBondContact N-O 2.66Å; T428-V432 PolarHBondContact O-N 3Å; T428-V432 PolarHBondContact OG1-O 3.35Å; G430-V432 VanDerWaalsContact C-N 3.35Å; V432-T434 PolarHBondContact O-N 2.86Å; V432-M472 HydrophobicContact CG2-SD 4.25Å
433	M	89.7	Confident	90.1	Very high	13 Å²	13	38.7 Å²	38.7	6%	0.064	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	108.8	175.1	-179.1	60.9	167.5	0	0	110.3	G425 Y466 P471 T473	G425-M433 VanDerWaalsContact CA-CE 3.4Å; G425-M433 VanDerWaalsContact N-CE 3.29Å; M433-Y466 WeakPolarHBondContact CE-O 3.26Å; M433-Y466 HydrophobicContact SD-CG 4.46Å; M433-P471 WeakPolarHBondContact CB-O 3.16Å; M433-P471 PolarHBondContact N-O 2.99Å; M433-T473 HydrophobicContact CB-CG2 4.17Å; M433-T473 HydrophobicContact SD-CG2 4.35Å
434	T	91.7	Very high	90.2	Very high	36 Å²	36	43.1 Å²	43.1	22%	0.221	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	113.7	169.4	-68.5	0	0	0	0	109.2	G425 I426 T428 V432 L436 F451	G425-T434 CarbonylContact C-O 3.58Å; G425-T434 WeakPolarHBondContact CA-O 3.49Å; I426-T434 PolarHBondContact N-O 3.41Å; I426-T434 PolarHBondContact O-N 2.78Å; T428-T434 HydrophobicContact CG2-CG2 4.49Å; T428-T434 WeakPolarHBondContact CG2-OG1 3.48Å; T428-T434 PolarHBondContact OG1-OG1 2.68Å; V432-T434 PolarHBondContact O-N 2.86Å; T434-L436 HydrophobicContact CG2-CD1 4.22Å; T434-L436 WeakPolarHBondContact O-CD1 3.33Å; T434-F451 HydrophobicContact CG2-CE1 4.2Å; T434-F451 HydrophobicContact CG2-CZ 4.23Å
435	K	92	Very high	90.4	Very high	101 Å²	101	44 Å²	44	44%	0.439	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	130	-177.2	-55.7	-174.6	166.8	-152	0	110.7	T423 E469	T423-K435 HydrophobicContact CG2-CB 3.77Å; T423-K435 HydrophobicContact CG2-CD 3.71Å; T423-K435 HydrophobicContact CG2-CG 3.59Å; K435-E469 IonicContact NZ-OE2 2.79Å; K435-E469 PolarHBondContact NZ-OE2 2.85Å; K435-E469 VanDerWaalsContact NZ-OE2 3.1Å
436	L	93.7	Very high	90.6	Very high	16 Å²	16	49.8 Å²	49.8	8%	0.084	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-45.7	175.8	-87.2	73.8	0	0	0	112.3	M424 I426 T434 Q449 F451 F501	M424-L436 PolarHBondContact O-N 2.82Å; I426-L436 HydrophobicContact CG1-CD1 4.27Å; T434-L436 HydrophobicContact CG2-CD1 4.22Å; T434-L436 WeakPolarHBondContact O-CD1 3.33Å; L436-Q449 HydrophobicContact CD2-CB 4.32Å; L436-Q449 HydrophobicContact CG-CB 4.45Å; L436-F451 HydrophobicContact CD1-CZ 4.07Å; L436-F451 HydrophobicContact CD2-CE2 4.48Å; L436-F501 HydrophobicContact CB-CD2 4.48Å; L436-F501 HydrophobicContact CB-CG 4.47Å; L436-F501 HydrophobicContact CD2-CD2 3.33Å; L436-F501 HydrophobicContact CD2-CE2 3.49Å; L436-F501 VanDerWaalsContact CD2-CE2 3.49Å; L436-F501 HydrophobicContact CD2-CG 4.09Å; L436-F501 HydrophobicContact CD2-CZ 4.32Å; L436-F501 HydrophobicContact CG-CD2 4.49Å
437	I	95.1	Very high	90.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	104.8	175.1	-58.9	171.9	0	0	0	107.1	T423 M424 T441 T445 K447 F501 I503	T423-I437 CarbonylContact C-O 2.93Å; T423-I437 WeakPolarHBondContact CA-O 3.36Å; M424-I437 HydrophobicContact CB-CB 4.22Å; M424-I437 PolarHBondContact N-O 3.41Å; M424-I437 PolarHBondContact O-N 3.01Å; M424-I437 VanDerWaalsContact O-N 3.17Å; I437-T441 HydrophobicContact CG2-CG2 4.1Å; I437-T445 HydrophobicContact CD1-CG2 4.05Å; I437-T445 HydrophobicContact CG2-CG2 4.13Å; I437-K447 HydrophobicContact CD1-CB 4.45Å; I437-K447 HydrophobicContact CG1-CB 3.89Å; I437-K447 HydrophobicContact CG1-CG 3.78Å; I437-F501 HydrophobicContact CD1-CB 3.61Å; I437-F501 HydrophobicContact CG1-CB 4.28Å; I437-I503 HydrophobicContact CD1-CD1 3.81Å; I437-I503 HydrophobicContact CD1-CG1 3.92Å; I437-I503 HydrophobicContact CG2-CD1 4.03Å
438	P	94.4	Very high	90.8	Very high	68 Å²	68	54.4 Å²	54.4	44%	0.442	32%	0.315	S	S	.	.			trans	-59.3	155.6	174.8	-22.6	34.3	0	0	0	112.1	N420 T441	N420-P438 PolarHBondContact ND2-O 3.05Å; N420-P438 PolarHBondContact OD1-O 3.04Å; P438-T441 PolarHBondContact O-OG1 2.92Å
439	R	91.4	Very high	91.2	Very high	66 Å²	66	56.4 Å²	56.4	25%	0.249	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	155.9	166.2	66.8	175.8	-175.4	-167	3.7	111.4	D348 T423 T441	D348-R439 VanDerWaalsContact CG-NH2 3.28Å; D348-R439 IonicContact OD1-CZ 3.48Å; D348-R439 IonicContact OD1-NE 3Å; D348-R439 PolarHBondContact OD1-NE 3.1Å; D348-R439 IonicContact OD1-NH2 2.79Å; D348-R439 PolarHBondContact OD1-NH2 2.9Å; D348-R439 IonicContact OD2-CZ 3.32Å; D348-R439 IonicContact OD2-NE 2.81Å; D348-R439 PolarHBondContact OD2-NE 3.14Å; D348-R439 VanDerWaalsContact OD2-NE 3.16Å; D348-R439 IonicContact OD2-NH1 2.71Å; D348-R439 IonicContact OD2-NH2 2.87Å; D348-R439 PolarHBondContact OD2-NH2 3.09Å; D348-R439 VanDerWaalsContact OD2-NH2 3.09Å; T423-R439 PolarHBondContact OG1-N 2.77Å; R439-T441 PolarHBondContact O-N 2.85Å
440	N	92.5	Very high	91.8	Very high	26 Å²	26	53.6 Å²	53.6	14%	0.139	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	22.8	-177.6	-52.5	-45.2	0	0	0	113.9	A246 T247 D348 V419 N420	A246-N440 WeakPolarHBondContact CA-OD1 3.15Å; T247-N440 PolarHBondContact N-OD1 3.18Å; D348-N440 WeakPolarHBondContact CB-ND2 3.4Å; D348-N440 PolarHBondContact OD2-ND2 3.45Å; V419-N440 HydrophobicContact CG2-CB 4.46Å; N420-N440 PolarHBondContact O-N 2.58Å
441	T	94.9	Very high	92.3	Very high	33 Å²	33	52.5 Å²	52.5	20%	0.202	28%	0.282	C	S	.	.			trans	-80	130.9	169.6	-56.1	0	0	0	0	108.9	V419 N420 I437 P438 R439 I443 T445	V419-T441 VanDerWaalsContact CA-O 3.24Å; V419-T441 WeakPolarHBondContact CA-O 3.49Å; V419-T441 WeakPolarHBondContact CB-O 3.04Å; N420-T441 PolarHBondContact N-O 2.77Å; N420-T441 VanDerWaalsContact N-O 3.09Å; N420-T441 VanDerWaalsContact OD1-CA 3.31Å; N420-T441 WeakPolarHBondContact OD1-CA 3.13Å; N420-T441 WeakPolarHBondContact OD1-CB 3.37Å; N420-T441 PolarHBondContact OD1-N 3.25Å; N420-T441 PolarHBondContact OD1-O 2.97Å; I437-T441 HydrophobicContact CG2-CG2 4.1Å; P438-T441 PolarHBondContact O-OG1 2.92Å; R439-T441 PolarHBondContact O-N 2.85Å; T441-I443 PolarHBondContact O-N 3.3Å; T441-T445 HydrophobicContact CG2-CG2 4.07Å
442	V	95	Very high	92.4	Very high	55 Å²	55	53.9 Å²	53.9	33%	0.333	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	134.9	177.4	178.3	0	0	0	0	111	L417 D418 V419 T445	L417-V442 HydrophobicContact CB-CG1 4.26Å; L417-V442 HydrophobicContact CD2-CG1 4.19Å; D418-V442 CarbonylContact O-C 3.45Å; D418-V442 VanDerWaalsContact O-CA 3.3Å; D418-V442 WeakPolarHBondContact O-CA 3.3Å; V419-V442 HydrophobicContact CG1-CG2 4.29Å; V442-T445 VanDerWaalsContact O-CB 3.28Å; V442-T445 WeakPolarHBondContact O-CB 3.27Å
443	I	92.3	Very high	92.5	Very high	12 Å²	12	51.3 Å²	51.3	6%	0.062	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	147.8	177.8	59.2	168.5	0	0	0	111.3	D418 N420 T441 T445 I503	D418-I443 HydrophobicContact CB-CD1 4.39Å; D418-I443 HydrophobicContact CB-CG1 4.2Å; D418-I443 WeakPolarHBondContact O-CG1 3.45Å; D418-I443 PolarHBondContact O-N 3.28Å; N420-I443 HydrophobicContact CB-CG2 4.21Å; T441-I443 PolarHBondContact O-N 3.3Å; I443-T445 HydrophobicContact CG2-CG2 4.32Å; I443-I503 HydrophobicContact CB-CG2 4.38Å; I443-I503 HydrophobicContact CG2-CB 4.07Å; I443-I503 HydrophobicContact CG2-CG2 3.65Å
444	P	93.7	Very high	92.2	Very high	93 Å²	93	53.3 Å²	53.3	60%	0.604	29%	0.292	S	S	*	.	S	Bend	cis	-71.1	148.3	0.7	30.6	-35.7	0	0	0	112.9	I503	P444-I503 CarbonylContact C-O 3.47Å; P444-I503 WeakPolarHBondContact CA-O 3.36Å; P444-I503 WeakPolarHBondContact CB-O 3.27Å
445	T	95.7	Very high	91.9	Very high	27 Å²	27	55.1 Å²	55.1	17%	0.166	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	156.3	-178.9	-166.9	0	0	0	0	112.6	I437 T441 V442 I443 E502 I503	I437-T445 HydrophobicContact CD1-CG2 4.05Å; I437-T445 HydrophobicContact CG2-CG2 4.13Å; T441-T445 HydrophobicContact CG2-CG2 4.07Å; V442-T445 VanDerWaalsContact O-CB 3.28Å; V442-T445 WeakPolarHBondContact O-CB 3.27Å; I443-T445 HydrophobicContact CG2-CG2 4.32Å; T445-E502 CarbonylContact O-C 3.59Å; T445-E502 WeakPolarHBondContact O-CA 3.42Å; T445-I503 HydrophobicContact CG2-CB 4.25Å; T445-I503 HydrophobicContact CG2-CD1 4.41Å; T445-I503 HydrophobicContact CG2-CG1 4.49Å; T445-I503 PolarHBondContact N-O 2.95Å; T445-I503 PolarHBondContact O-N 3.26Å
446	K	96	Very high	91.8	Very high	122 Å²	122	54.9 Å²	54.9	53%	0.53	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	131.7	176.4	-176.4	172.9	-179.8	165.8	0	111.1	F501 E502	K446-F501 CarbonylContact C-O 3.55Å; K446-F501 VanDerWaalsContact CA-O 3.27Å; K446-F501 WeakPolarHBondContact CA-O 3.37Å; K446-E502 HydrophobicContact CG-CB 4.49Å
447	K	95.3	Very high	91.5	Very high	111 Å²	111	58.5 Å²	58.5	48%	0.483	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	137.1	172.7	-69.1	-64.2	-176.4	-175.2	0	110.3	I437 S500 F501	I437-K447 HydrophobicContact CD1-CB 4.45Å; I437-K447 HydrophobicContact CG1-CB 3.89Å; I437-K447 HydrophobicContact CG1-CG 3.78Å; K447-S500 CarbonylContact O-C 3.6Å; K447-S500 WeakPolarHBondContact O-CA 3.42Å; K447-F501 PolarHBondContact N-O 3.39Å; K447-F501 PolarHBondContact O-N 3.4Å
448	S	93.7	Very high	91.1	Very high	58 Å²	58	60.8 Å²	60.8	41%	0.406	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	138.4	177.4	-56.6	0	0	0	0	109.4	V499 S500	S448-V499 CarbonylContact C-O 3.5Å; S448-V499 VanDerWaalsContact CA-O 3.31Å; S448-V499 WeakPolarHBondContact CA-O 3.49Å; S448-S500 WeakPolarHBondContact CB-OG 3.47Å; S448-S500 WeakPolarHBondContact OG-CB 3.37Å; S448-S500 PolarHBondContact OG-OG 2.93Å
449	Q	91.8	Very high	90.8	Very high	80 Å²	80	62.4 Å²	62.4	37%	0.374	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	138.3	177.2	-177.4	169.9	-12.9	0	0	110.1	L436 F451 V499	L436-Q449 HydrophobicContact CD2-CB 4.32Å; L436-Q449 HydrophobicContact CG-CB 4.45Å; Q449-F451 HydrophobicContact CB-CE2 3.81Å; Q449-F451 HydrophobicContact CB-CZ 4.21Å; Q449-F451 HydrophobicContact CG-CD2 4.5Å; Q449-F451 HydrophobicContact CG-CE2 3.81Å; Q449-F451 HydrophobicContact CG-CZ 3.84Å; Q449-F451 WeakPolarHBondContact O-CD2 3.23Å; Q449-V499 PolarHBondContact N-O 3.3Å; Q449-V499 PolarHBondContact O-N 3.24Å
450	V	91.4	Very high	90.6	Very high	67 Å²	67	61.8 Å²	61.8	41%	0.406	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	127.5	178.7	-176.1	0	0	0	0	110	Q496 I497 E498	V450-Q496 HydrophobicContact CG1-CB 4.07Å; V450-I497 WeakPolarHBondContact CA-O 3.42Å; V450-E498 HydrophobicContact CG2-CB 4.28Å; V450-E498 HydrophobicContact CG2-CG 4.46Å
451	F	88.4	Confident	90.3	Very high	40 Å²	40	61.4 Å²	61.4	18%	0.175	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	178.1	172	-63.3	-86.5	0	0	0	109.5	I426 T428 T434 L436 Q449 I497 V499	I426-F451 HydrophobicContact CD1-CD1 3.99Å; I426-F451 HydrophobicContact CD1-CD2 3.93Å; I426-F451 HydrophobicContact CD1-CE1 3.6Å; I426-F451 HydrophobicContact CD1-CE2 3.51Å; I426-F451 HydrophobicContact CD1-CG 4.16Å; I426-F451 HydrophobicContact CD1-CZ 3.34Å; I426-F451 HydrophobicContact CG1-CE1 4.28Å; I426-F451 HydrophobicContact CG1-CE2 4.48Å; I426-F451 HydrophobicContact CG1-CZ 3.98Å; T428-F451 HydrophobicContact CG2-CD1 4.46Å; T428-F451 HydrophobicContact CG2-CE1 4.05Å; T434-F451 HydrophobicContact CG2-CE1 4.2Å; T434-F451 HydrophobicContact CG2-CZ 4.23Å; L436-F451 HydrophobicContact CD1-CZ 4.07Å; L436-F451 HydrophobicContact CD2-CE2 4.48Å; Q449-F451 HydrophobicContact CB-CE2 3.81Å; Q449-F451 HydrophobicContact CB-CZ 4.21Å; Q449-F451 HydrophobicContact CG-CD2 4.5Å; Q449-F451 HydrophobicContact CG-CE2 3.81Å; Q449-F451 HydrophobicContact CG-CZ 3.84Å; Q449-F451 WeakPolarHBondContact O-CD2 3.23Å; F451-I497 PolarHBondContact N-O 3.01Å; F451-I497 PolarHBondContact O-N 2.8Å; F451-V499 HydrophobicContact CD2-CB 4.05Å; F451-V499 HydrophobicContact CD2-CG2 3.72Å; F451-V499 HydrophobicContact CE2-CB 4.12Å; F451-V499 HydrophobicContact CE2-CG2 4.24Å
452	S	86.5	Confident	90	Very high	44 Å²	44	63.3 Å²	63.3	31%	0.308	36%	0.355	S	S	.	.			trans	-146.6	167.7	177.2	177.3	0	0	0	0	110.9	G493 I494 P495	S452-G493 WeakPolarHBondContact OG-CA 3.31Å; S452-G493 PolarHBondContact OG-N 3.44Å; S452-G493 PolarHBondContact OG-O 2.81Å; S452-I494 PolarHBondContact OG-N 3.36Å; S452-P495 VanDerWaalsContact CA-O 3.28Å; S452-P495 WeakPolarHBondContact CA-O 3.35Å; S452-P495 WeakPolarHBondContact CB-O 3.26Å; S452-P495 PolarHBondContact OG-O 3.31Å
453	T	86.4	Confident	89.7	Confident	9 Å²	9	61 Å²	61	6%	0.055	34%	0.341	C	S	.	.			trans	-58.9	144.3	172.3	55.2	0	0	0	0	112.8	Q458 V461 I487 G493 P495	T453-Q458 VanDerWaalsContact CB-OE1 3.31Å; T453-Q458 HydrophobicContact CG2-CB 3.8Å; T453-Q458 HydrophobicContact CG2-CG 4.03Å; T453-V461 HydrophobicContact CG2-CG2 3.87Å; T453-I487 HydrophobicContact CG2-CD1 4.43Å; T453-I487 HydrophobicContact CG2-CG2 4.28Å; T453-G493 PolarHBondContact O-N 2.89Å; T453-P495 HydrophobicContact CG2-CB 4.02Å; T453-P495 HydrophobicContact CG2-CG 3.74Å; T453-P495 WeakPolarHBondContact OG1-CD 3.37Å
454	A	84	Confident	89.6	Confident	56 Å²	56	62.6 Å²	62.6	46%	0.463	35%	0.348	S	S	.	.	S	Bend	trans	-92.1	-13	178.8	0	0	0	0	0	112.9	V429	V429-A454 HydrophobicContact CG2-CB 4.13Å
455	S	85.8	Confident	89.5	Confident	73 Å²	73	58.2 Å²	58.2	51%	0.51	32%	0.32	S	S	.	.	S	Bend	trans	-137.3	152.6	-178.5	-66.4	0	0	0	0	112	Q458	S455-Q458 WeakPolarHBondContact O-CB 3.47Å; S455-Q458 PolarHBondContact O-N 2.87Å
456	D	89.1	Confident	89.2	Confident	97 Å²	97	57.6 Å²	57.6	52%	0.519	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	137.6	177.1	-64.4	-21.1	0	0	0	110.1	Q458 R492	D456-Q458 PolarHBondContact O-N 2.88Å; D456-R492 WeakPolarHBondContact OD1-CB 3.47Å; D456-R492 WeakPolarHBondContact OD1-CG 3.28Å; D456-R492 PolarHBondContact OD1-N 3.29Å
457	N	88.6	Confident	88.8	Confident	91 Å²	91	52.2 Å²	52.2	49%	0.487	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	28.2	-179.5	-50.3	-50.9	0	0	0	114.2	H459 P489 A490	N457-H459 PolarHBondContact O-CD2 3.46Å; N457-H459 PolarHBondContact O-N 2.93Å; N457-P489 HydrophobicContact CB-CB 4.28Å; N457-P489 WeakPolarHBondContact OD1-CB 3.29Å; N457-A490 PolarHBondContact N-O 3.34Å
458	Q	86.3	Confident	88.2	Confident	49 Å²	49	47.4 Å²	47.4	23%	0.229	27%	0.273	C	S	.	.			trans	-68	113.9	175	177.5	176.6	1.2	0	0	110.7	T453 S455 D456 T460	T453-Q458 VanDerWaalsContact CB-OE1 3.31Å; T453-Q458 HydrophobicContact CG2-CB 3.8Å; T453-Q458 HydrophobicContact CG2-CG 4.03Å; S455-Q458 WeakPolarHBondContact O-CB 3.47Å; S455-Q458 PolarHBondContact O-N 2.87Å; D456-Q458 PolarHBondContact O-N 2.88Å; Q458-T460 WeakPolarHBondContact CG-O 3.24Å; Q458-T460 PolarHBondContact NE2-O 3.06Å
459	H	88.4	Confident	87.9	Confident	101 Å²	101	47.3 Å²	47.3	47%	0.468	27%	0.266	S	S	.	.			trans	-85.5	-19	-178.3	-71.6	-67.6	0	0	0	115.1	N457 G486 I487	N457-H459 PolarHBondContact O-CD2 3.46Å; N457-H459 PolarHBondContact O-N 2.93Å; H459-G486 PolarHBondContact O-N 2.7Å; H459-I487 PolarHBondContact ND1-O 3.01Å; H459-I487 PolarHBondContact O-N 3.28Å
460	T	87.1	Confident	87.6	Confident	54 Å²	54	49.5 Å²	49.5	33%	0.331	27%	0.271	S	S	.	.			trans	-132.8	130.4	-176.6	-57.4	0	0	0	0	109.9	Q458 D483 L484 T485	Q458-T460 WeakPolarHBondContact CG-O 3.24Å; Q458-T460 PolarHBondContact NE2-O 3.06Å; T460-D483 HydrophobicContact CG2-CB 3.71Å; T460-L484 CarbonylContact C-O 3.41Å; T460-L484 VanDerWaalsContact CA-O 3.31Å; T460-L484 WeakPolarHBondContact CA-O 3.37Å; T460-T485 HydrophobicContact CG2-CG2 3.92Å
461	V	86.1	Confident	87.4	Confident	18 Å²	18	50.9 Å²	50.9	11%	0.109	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	114.8	171.1	168.6	0	0	0	0	108.8	T453 I463 L484 I487 I497	T453-V461 HydrophobicContact CG2-CG2 3.87Å; V461-I463 HydrophobicContact CG1-CG1 4.21Å; V461-L484 PolarHBondContact N-O 2.73Å; V461-L484 PolarHBondContact O-N 2.75Å; V461-I487 HydrophobicContact CB-CD1 3.78Å; V461-I487 HydrophobicContact CG2-CD1 3.32Å; V461-I497 HydrophobicContact CG2-CG1 4.39Å
462	T	87.8	Confident	87.4	Confident	72 Å²	72	51.9 Å²	51.9	44%	0.442	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	121.8	173.5	-54	0	0	0	0	109.7	Q464 F482 D483	T462-Q464 HydrophobicContact CG2-CG 4.16Å; T462-F482 CarbonylContact C-O 3.54Å; T462-F482 WeakPolarHBondContact CA-O 3.37Å; T462-D483 WeakPolarHBondContact CA-OD1 3.46Å; T462-D483 VanDerWaalsContact CB-OD1 3.22Å; T462-D483 WeakPolarHBondContact CB-OD1 3.37Å; T462-D483 VanDerWaalsContact CG2-OD1 3.3Å; T462-D483 WeakPolarHBondContact CG2-OD1 3.12Å; T462-D483 PolarHBondContact OG1-OD1 2.91Å
463	I	89	Confident	87.5	Confident	6 Å²	6	50 Å²	50	3%	0.031	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	116.6	175.2	-64.3	164.7	0	0	0	107.5	I426 V461 V465 K481 F482 V499 A513	I426-I463 HydrophobicContact CG2-CG2 3.95Å; V461-I463 HydrophobicContact CG1-CG1 4.21Å; I463-V465 HydrophobicContact CG2-CG2 4Å; I463-K481 CarbonylContact O-C 3.57Å; I463-K481 WeakPolarHBondContact O-CA 3.39Å; I463-F482 HydrophobicContact CB-CD1 4.22Å; I463-F482 HydrophobicContact CB-CD2 4.4Å; I463-F482 HydrophobicContact CB-CE1 3.85Å; I463-F482 HydrophobicContact CB-CE2 4.06Å; I463-F482 HydrophobicContact CB-CG 4.47Å; I463-F482 HydrophobicContact CB-CZ 3.75Å; I463-F482 HydrophobicContact CD1-CD2 4.4Å; I463-F482 HydrophobicContact CD1-CE2 3.55Å; I463-F482 HydrophobicContact CD1-CZ 3.64Å; I463-F482 HydrophobicContact CG1-CE2 4.34Å; I463-F482 HydrophobicContact CG1-CZ 4.3Å; I463-F482 HydrophobicContact CG2-CD1 4.39Å; I463-F482 HydrophobicContact CG2-CE1 3.65Å; I463-F482 HydrophobicContact CG2-CZ 3.72Å; I463-F482 PolarHBondContact N-O 3.15Å; I463-F482 PolarHBondContact O-N 3.31Å; I463-V499 HydrophobicContact CD1-CG1 4.42Å; I463-V499 HydrophobicContact CD1-CG2 3.57Å; I463-V499 HydrophobicContact CG1-CG2 4.3Å; I463-V499 HydrophobicContact CG2-CG1 4.37Å; I463-A513 HydrophobicContact CD1-CB 3.26Å
464	Q	90	Very high	87.4	Confident	47 Å²	47	57.6 Å²	57.6	22%	0.22	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	123.2	174.1	-63.8	177.9	95.7	0	0	108.6	I426 E427 T462 Y466 L478 K481	I426-Q464 CarbonylContact C-O 3.59Å; I426-Q464 WeakPolarHBondContact CA-O 3.35Å; I426-Q464 WeakPolarHBondContact CB-O 3.38Å; E427-Q464 HydrophobicContact CB-CB 4.17Å; E427-Q464 PolarHBondContact N-O 2.95Å; E427-Q464 PolarHBondContact OE1-NE2 3.2Å; T462-Q464 HydrophobicContact CG2-CG 4.16Å; Q464-Y466 HydrophobicContact CB-CD2 4.46Å; Q464-Y466 HydrophobicContact CB-CE2 3.51Å; Q464-Y466 WeakPolarHBondContact O-CD2 3.4Å; Q464-Y466 PolarHBondContact OE1-OH 3.42Å; Q464-L478 HydrophobicContact CB-CD1 4.2Å; Q464-K481 HydrophobicContact CB-CB 4.48Å; Q464-K481 HydrophobicContact CG-CB 3.85Å
465	V	91.3	Very high	87.3	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	133.1	-172.3	-179.7	0	0	0	0	109.4	G425 I426 I463 L479 G480 F482 F501 L509 V511 I526	G425-V465 WeakPolarHBondContact O-CA 3.39Å; I426-V465 HydrophobicContact CG2-CG2 4.37Å; I463-V465 HydrophobicContact CG2-CG2 4Å; V465-L479 HydrophobicContact CB-CB 4.48Å; V465-L479 HydrophobicContact CG1-CB 4.22Å; V465-L479 HydrophobicContact CG1-CD1 4.13Å; V465-L479 WeakPolarHBondContact O-CB 3.32Å; V465-L479 PolarHBondContact O-N 2.89Å; V465-G480 PolarHBondContact N-O 3.22Å; V465-G480 PolarHBondContact O-N 3.23Å; V465-F482 HydrophobicContact CG2-CE1 4.11Å; V465-F501 HydrophobicContact CB-CZ 4.48Å; V465-F501 HydrophobicContact CG1-CE1 3.65Å; V465-F501 HydrophobicContact CG1-CZ 3.78Å; V465-F501 HydrophobicContact CG2-CZ 4.06Å; V465-L509 HydrophobicContact CG1-CD2 3.71Å; V465-V511 HydrophobicContact CG1-CG2 4.18Å; V465-V511 HydrophobicContact CG2-CB 4.48Å; V465-V511 HydrophobicContact CG2-CG1 4.19Å; V465-V511 HydrophobicContact CG2-CG2 4.14Å; V465-I526 HydrophobicContact CB-CD1 3.83Å; V465-I526 HydrophobicContact CG1-CD1 4.02Å; V465-I526 HydrophobicContact CG2-CD1 3.79Å
466	Y	89.4	Confident	87.2	Confident	15 Å²	15	55 Å²	55	6%	0.059	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	155.7	-176.2	-63.4	-99.9	0	0	0	111.5	G425 E427 M433 Q464 T473 N476 H477 L478	G425-Y466 PolarHBondContact N-O 2.75Å; G425-Y466 PolarHBondContact O-N 2.84Å; E427-Y466 HydrophobicContact CB-CD2 4.45Å; E427-Y466 HydrophobicContact CB-CE2 3.7Å; M433-Y466 WeakPolarHBondContact CE-O 3.26Å; M433-Y466 HydrophobicContact SD-CG 4.46Å; Q464-Y466 HydrophobicContact CB-CD2 4.46Å; Q464-Y466 HydrophobicContact CB-CE2 3.51Å; Q464-Y466 WeakPolarHBondContact O-CD2 3.4Å; Q464-Y466 PolarHBondContact OE1-OH 3.42Å; Y466-T473 HydrophobicContact CD2-CG2 3.87Å; Y466-T473 HydrophobicContact CE1-CG2 4.45Å; Y466-T473 WeakPolarHBondContact CE1-O 3.28Å; Y466-T473 HydrophobicContact CE2-CG2 3.81Å; Y466-T473 HydrophobicContact CG-CG2 4.26Å; Y466-N476 HydrophobicContact CD1-CB 4.3Å; Y466-H477 CarbonylContact C-O 3.52Å; Y466-H477 WeakPolarHBondContact CA-O 3.06Å; Y466-H477 WeakPolarHBondContact CB-O 3.22Å; Y466-L478 HydrophobicContact CD1-CB 4.1Å; Y466-L478 HydrophobicContact CD1-CD1 4.26Å; Y466-L478 HydrophobicContact CD2-CD1 4.45Å; Y466-L478 HydrophobicContact CE1-CB 3.8Å; Y466-L478 HydrophobicContact CE1-CD1 3.73Å; Y466-L478 HydrophobicContact CE1-CG 4.36Å; Y466-L478 HydrophobicContact CE2-CD1 3.92Å
467	E	88.2	Confident	86.9	Confident	9 Å²	9	53.3 Å²	53.3	4%	0.042	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	137.8	164.6	63.7	-180	-175.1	0	0	110.6	N177 L422 T423 M424 N476 H477 L479	N177-E467 WeakPolarHBondContact CB-OE1 3.3Å; N177-E467 WeakPolarHBondContact CB-OE2 3.32Å; N177-E467 PolarHBondContact ND2-OE1 2.97Å; L422-E467 HydrophobicContact CB-CB 4.23Å; L422-E467 HydrophobicContact CD1-CB 4.31Å; L422-E467 HydrophobicContact CD1-CG 4.14Å; T423-E467 CarbonylContact O-C 3.6Å; T423-E467 VanDerWaalsContact O-CA 3.29Å; T423-E467 WeakPolarHBondContact O-CA 3.45Å; M424-E467 HydrophobicContact SD-CB 3.72Å; E467-N476 WeakPolarHBondContact O-CB 3.09Å; E467-H477 HydrophobicContact CG-CB 3.76Å; E467-H477 PolarHBondContact N-O 3.09Å; E467-H477 PolarHBondContact O-N 2.9Å; E467-H477 IonicContact OE1-CD2 2.56Å; E467-H477 PolarHBondContact OE1-CD2 2.9Å; E467-H477 IonicContact OE1-CG 2.83Å; E467-H477 IonicContact OE1-NE2 2.74Å; E467-L479 HydrophobicContact CB-CD1 3.93Å; E467-L479 HydrophobicContact CB-CG 4.2Å; E467-L479 HydrophobicContact CG-CD1 4.22Å; E467-L479 HydrophobicContact CG-CD2 3.95Å; E467-L479 HydrophobicContact CG-CG 3.96Å
468	G	83.7	Confident	86.8	Confident	9 Å²	9	52.2 Å²	52.2	9%	0.093	26%	0.261	C	S	.	.	S	Bend	trans	141.3	170	174.6	0	0	0	0	0	114.6	T423 N476	T423-G468 PolarHBondContact O-N 2.99Å; G468-N476 WeakPolarHBondContact CA-OD1 3.39Å
469	E	87.2	Confident	86.7	Confident	57 Å²	57	50 Å²	50	27%	0.266	25%	0.251	S	S	.	.	S	Bend	trans	-100.1	-5.5	-171.2	-59.9	-51.5	141	0	0	114.5	T423 K435 N476	T423-E469 WeakPolarHBondContact CB-OE1 3.4Å; T423-E469 PolarHBondContact N-OE1 2.82Å; T423-E469 PolarHBondContact OG1-OE1 2.93Å; T423-E469 PolarHBondContact OG1-OE2 2.89Å; K435-E469 IonicContact NZ-OE2 2.79Å; K435-E469 PolarHBondContact NZ-OE2 2.85Å; K435-E469 VanDerWaalsContact NZ-OE2 3.1Å; E469-N476 PolarHBondContact N-OD1 3.45Å
470	R	84.8	Confident	86.5	Confident	126 Å²	126	45.6 Å²	45.6	48%	0.475	23%	0.233	S	C	.	.			trans	-79.4	146.8	-175.8	-59.3	-171.6	63	-149.2	-8	110.3	M472 D475 N476	R470-M472 VanDerWaalsContact C-N 3.3Å; R470-M472 PolarHBondContact O-N 2.72Å; R470-D475 HydrophobicContact CB-CB 3.85Å; R470-D475 WeakPolarHBondContact CD-O 3.3Å; R470-D475 HydrophobicContact CG-CB 4.43Å; R470-D475 IonicContact CZ-OD1 3.11Å; R470-D475 IonicContact CZ-OD2 3.55Å; R470-D475 IonicContact NH1-OD1 3.14Å; R470-D475 PolarHBondContact NH1-OD1 3.41Å; R470-D475 IonicContact NH1-OD2 3.1Å; R470-D475 IonicContact NH2-OD1 2.9Å; R470-D475 PolarHBondContact NH2-OD1 3.28Å; R470-D475 IonicContact NH2-OD2 3Å; R470-D475 PolarHBondContact NH2-OD2 3.07Å; R470-N476 WeakPolarHBondContact CA-OD1 3.32Å; R470-N476 VanDerWaalsContact CB-OD1 3.31Å; R470-N476 WeakPolarHBondContact CB-OD1 3.36Å; R470-N476 PolarHBondContact N-OD1 3.45Å; R470-N476 PolarHBondContact O-ND2 2.99Å
471	P	86.7	Confident	86.5	Confident	95 Å²	95	49.4 Å²	49.4	62%	0.617	25%	0.245	S	C	*	.	S	Bend	trans	-72	-20.5	-174.4	26.6	-35.1	0	0	0	114.3	M433	M433-P471 WeakPolarHBondContact CB-O 3.16Å; M433-P471 PolarHBondContact N-O 2.99Å
472	M	88.6	Confident	86.4	Confident	62 Å²	62	49 Å²	49	31%	0.305	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-106.8	142.8	178	-59.9	-60.6	-67.3	0	0	109.9	G430 G431 V432 R470 K474 D475 N476	G430-M472 WeakPolarHBondContact O-CE 3.32Å; G431-M472 WeakPolarHBondContact O-CA 3.42Å; G431-M472 WeakPolarHBondContact O-CE 3.3Å; V432-M472 HydrophobicContact CG2-SD 4.25Å; R470-M472 VanDerWaalsContact C-N 3.3Å; R470-M472 PolarHBondContact O-N 2.72Å; M472-K474 HydrophobicContact CB-CG 4.14Å; M472-D475 WeakPolarHBondContact O-CB 3.38Å; M472-D475 PolarHBondContact O-N 3.3Å; M472-N476 PolarHBondContact O-ND2 2.82Å
473	T	88.2	Confident	86.4	Confident	3 Å²	3	49.6 Å²	49.6	2%	0.018	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-68.4	-36.8	-177.4	52.1	0	0	0	0	113.7	E427 G431 M433 Y466 D475 N476	E427-T473 HydrophobicContact CB-CG2 3.68Å; E427-T473 HydrophobicContact CG-CG2 3.89Å; E427-T473 WeakPolarHBondContact OE2-CB 3.28Å; E427-T473 PolarHBondContact OE2-OG1 3.45Å; G431-T473 PolarHBondContact O-N 2.76Å; G431-T473 PolarHBondContact O-OG1 2.87Å; G431-T473 VanDerWaalsContact O-OG1 3.05Å; M433-T473 HydrophobicContact CB-CG2 4.17Å; M433-T473 HydrophobicContact SD-CG2 4.35Å; Y466-T473 HydrophobicContact CD2-CG2 3.87Å; Y466-T473 HydrophobicContact CE1-CG2 4.45Å; Y466-T473 WeakPolarHBondContact CE1-O 3.28Å; Y466-T473 HydrophobicContact CE2-CG2 3.81Å; Y466-T473 HydrophobicContact CG-CG2 4.26Å; T473-D475 PolarHBondContact O-N 3.16Å; T473-N476 PolarHBondContact O-N 3.42Å
474	K	85.4	Confident	86.3	Confident	169 Å²	169	49.3 Å²	49.3	74%	0.735	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-55	-17.2	175.6	70.9	177.3	-176.3	175.4	0	115	M472	M472-K474 HydrophobicContact CB-CG 4.14Å
475	D	81.9	Confident	86.1	Confident	53 Å²	53	50.2 Å²	50.2	28%	0.283	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-107.8	-5.8	-172	-79.3	-42.6	0	0	0	111.7	R470 M472 T473	R470-D475 HydrophobicContact CB-CB 3.85Å; R470-D475 WeakPolarHBondContact CD-O 3.3Å; R470-D475 HydrophobicContact CG-CB 4.43Å; R470-D475 IonicContact CZ-OD1 3.11Å; R470-D475 IonicContact CZ-OD2 3.55Å; R470-D475 IonicContact NH1-OD1 3.14Å; R470-D475 PolarHBondContact NH1-OD1 3.41Å; R470-D475 IonicContact NH1-OD2 3.1Å; R470-D475 IonicContact NH2-OD1 2.9Å; R470-D475 PolarHBondContact NH2-OD1 3.28Å; R470-D475 IonicContact NH2-OD2 3Å; R470-D475 PolarHBondContact NH2-OD2 3.07Å; M472-D475 WeakPolarHBondContact O-CB 3.38Å; M472-D475 PolarHBondContact O-N 3.3Å; T473-D475 PolarHBondContact O-N 3.16Å
476	N	84	Confident	85.9	Confident	23 Å²	23	52.8 Å²	52.8	12%	0.123	28%	0.276	C	S	.	.	S	Bend	trans	-108.7	170.7	176.1	-70	-37.2	0	0	0	109.9	Y466 E467 G468 E469 R470 M472 T473	Y466-N476 HydrophobicContact CD1-CB 4.3Å; E467-N476 WeakPolarHBondContact O-CB 3.09Å; G468-N476 WeakPolarHBondContact CA-OD1 3.39Å; E469-N476 PolarHBondContact N-OD1 3.45Å; R470-N476 WeakPolarHBondContact CA-OD1 3.32Å; R470-N476 VanDerWaalsContact CB-OD1 3.31Å; R470-N476 WeakPolarHBondContact CB-OD1 3.36Å; R470-N476 PolarHBondContact N-OD1 3.45Å; R470-N476 PolarHBondContact O-ND2 2.99Å; M472-N476 PolarHBondContact O-ND2 2.82Å; T473-N476 PolarHBondContact O-N 3.42Å
477	H	81.9	Confident	85.7	Confident	60 Å²	60	52.1 Å²	52.1	28%	0.278	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	126.8	178.4	-174.3	69.3	0	0	0	110.2	Y466 E467 L479	Y466-H477 CarbonylContact C-O 3.52Å; Y466-H477 WeakPolarHBondContact CA-O 3.06Å; Y466-H477 WeakPolarHBondContact CB-O 3.22Å; E467-H477 HydrophobicContact CG-CB 3.76Å; E467-H477 PolarHBondContact N-O 3.09Å; E467-H477 PolarHBondContact O-N 2.9Å; E467-H477 IonicContact OE1-CD2 2.56Å; E467-H477 PolarHBondContact OE1-CD2 2.9Å; E467-H477 IonicContact OE1-CG 2.83Å; E467-H477 IonicContact OE1-NE2 2.74Å; H477-L479 PolarHBondContact O-N 3.45Å
478	L	86.7	Confident	85.7	Confident	69 Å²	69	54.5 Å²	54.5	36%	0.361	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	117.6	174.9	175.4	70.1	0	0	0	108.8	Q464 Y466	Q464-L478 HydrophobicContact CB-CD1 4.2Å; Y466-L478 HydrophobicContact CD1-CB 4.1Å; Y466-L478 HydrophobicContact CD1-CD1 4.26Å; Y466-L478 HydrophobicContact CD2-CD1 4.45Å; Y466-L478 HydrophobicContact CE1-CB 3.8Å; Y466-L478 HydrophobicContact CE1-CD1 3.73Å; Y466-L478 HydrophobicContact CE1-CG 4.36Å; Y466-L478 HydrophobicContact CE2-CD1 3.92Å
479	L	84.5	Confident	86	Confident	2 Å²	2	58.2 Å²	58.2	1%	0.01	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-32.5	177.8	-72.3	177.8	0	0	0	112.8	D178 M424 V465 E467 H477 L509 I526 N528	D178-L479 HydrophobicContact CB-CD2 3.9Å; M424-L479 HydrophobicContact CE-CD1 3.56Å; M424-L479 HydrophobicContact SD-CD1 3.57Å; M424-L479 VanDerWaalsContact SD-CD1 3.57Å; V465-L479 HydrophobicContact CB-CB 4.48Å; V465-L479 HydrophobicContact CG1-CB 4.22Å; V465-L479 HydrophobicContact CG1-CD1 4.13Å; V465-L479 WeakPolarHBondContact O-CB 3.32Å; V465-L479 PolarHBondContact O-N 2.89Å; E467-L479 HydrophobicContact CB-CD1 3.93Å; E467-L479 HydrophobicContact CB-CG 4.2Å; E467-L479 HydrophobicContact CG-CD1 4.22Å; E467-L479 HydrophobicContact CG-CD2 3.95Å; E467-L479 HydrophobicContact CG-CG 3.96Å; H477-L479 PolarHBondContact O-N 3.45Å; L479-L509 HydrophobicContact CD1-CD2 3.92Å; L479-I526 HydrophobicContact CB-CG2 3.97Å; L479-I526 WeakPolarHBondContact O-CG2 3.37Å; L479-N528 VanDerWaalsContact O-CB 3.3Å; L479-N528 WeakPolarHBondContact O-CB 3.37Å; L479-N528 PolarHBondContact O-ND2 3.04Å; L479-N528 VanDerWaalsContact O-ND2 3.08Å
480	G	83.2	Confident	86.1	Confident	9 Å²	9	56.3 Å²	56.3	9%	0.093	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.6	170.6	-179.6	0	0	0	0	0	112.3	V465	V465-G480 PolarHBondContact N-O 3.22Å; V465-G480 PolarHBondContact O-N 3.23Å
481	K	87.2	Confident	86.3	Confident	134 Å²	134	53.8 Å²	53.8	58%	0.583	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.2	150	175.2	70.5	-178.9	-179.4	-177.8	0	111.1	I463 Q464	I463-K481 CarbonylContact O-C 3.57Å; I463-K481 WeakPolarHBondContact O-CA 3.39Å; Q464-K481 HydrophobicContact CB-CB 4.48Å; Q464-K481 HydrophobicContact CG-CB 3.85Å
482	F	84.8	Confident	86.4	Confident	10 Å²	10	57.6 Å²	57.6	4%	0.044	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	154.1	176.4	64.1	-89.5	0	0	0	112.7	T462 I463 V465 V511 A513 I524	T462-F482 CarbonylContact C-O 3.54Å; T462-F482 WeakPolarHBondContact CA-O 3.37Å; I463-F482 HydrophobicContact CB-CD1 4.22Å; I463-F482 HydrophobicContact CB-CD2 4.4Å; I463-F482 HydrophobicContact CB-CE1 3.85Å; I463-F482 HydrophobicContact CB-CE2 4.06Å; I463-F482 HydrophobicContact CB-CG 4.47Å; I463-F482 HydrophobicContact CB-CZ 3.75Å; I463-F482 HydrophobicContact CD1-CD2 4.4Å; I463-F482 HydrophobicContact CD1-CE2 3.55Å; I463-F482 HydrophobicContact CD1-CZ 3.64Å; I463-F482 HydrophobicContact CG1-CE2 4.34Å; I463-F482 HydrophobicContact CG1-CZ 4.3Å; I463-F482 HydrophobicContact CG2-CD1 4.39Å; I463-F482 HydrophobicContact CG2-CE1 3.65Å; I463-F482 HydrophobicContact CG2-CZ 3.72Å; I463-F482 PolarHBondContact N-O 3.15Å; I463-F482 PolarHBondContact O-N 3.31Å; V465-F482 HydrophobicContact CG2-CE1 4.11Å; F482-V511 HydrophobicContact CE1-CB 4.12Å; F482-V511 HydrophobicContact CE1-CG1 3.72Å; F482-V511 HydrophobicContact CZ-CB 4.41Å; F482-V511 HydrophobicContact CZ-CG1 3.73Å; F482-A513 HydrophobicContact CE2-CB 3.69Å; F482-A513 HydrophobicContact CZ-CB 4.19Å; F482-I524 HydrophobicContact CB-CB 4.27Å; F482-I524 HydrophobicContact CB-CD1 3.21Å; F482-I524 HydrophobicContact CB-CG1 3.37Å; F482-I524 HydrophobicContact CD1-CB 3.79Å; F482-I524 HydrophobicContact CD1-CD1 4.37Å; F482-I524 HydrophobicContact CD1-CG1 3.81Å; F482-I524 HydrophobicContact CD1-CG2 4.1Å; F482-I524 HydrophobicContact CD2-CB 4.48Å; F482-I524 HydrophobicContact CD2-CG1 3.83Å; F482-I524 HydrophobicContact CE1-CB 4.18Å; F482-I524 HydrophobicContact CE2-CG1 4.5Å; F482-I524 HydrophobicContact CG-CB 3.98Å; F482-I524 HydrophobicContact CG-CD1 3.89Å; F482-I524 HydrophobicContact CG-CG1 3.44Å; F482-I524 VanDerWaalsContact CG-CG1 3.44Å
483	D	87.1	Confident	86.2	Confident	83 Å²	83	56.8 Å²	56.8	44%	0.444	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	116.4	-174.5	-70.9	-26.5	0	0	0	110.1	T460 T462 T485	T460-D483 HydrophobicContact CG2-CB 3.71Å; T462-D483 WeakPolarHBondContact CA-OD1 3.46Å; T462-D483 VanDerWaalsContact CB-OD1 3.22Å; T462-D483 WeakPolarHBondContact CB-OD1 3.37Å; T462-D483 VanDerWaalsContact CG2-OD1 3.3Å; T462-D483 WeakPolarHBondContact CG2-OD1 3.12Å; T462-D483 PolarHBondContact OG1-OD1 2.91Å; D483-T485 HydrophobicContact CB-CG2 4.18Å; D483-T485 PolarHBondContact O-N 3.01Å
484	L	86.9	Confident	86.3	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	105.1	163.6	179.8	63.8	0	0	0	108.3	T460 V461 I497 A513 D515 E522	T460-L484 CarbonylContact C-O 3.41Å; T460-L484 VanDerWaalsContact CA-O 3.31Å; T460-L484 WeakPolarHBondContact CA-O 3.37Å; V461-L484 PolarHBondContact N-O 2.73Å; V461-L484 PolarHBondContact O-N 2.75Å; L484-I497 HydrophobicContact CD2-CD1 3.88Å; L484-I497 HydrophobicContact CD2-CG2 3.6Å; L484-A513 HydrophobicContact CD2-CB 4.15Å; L484-D515 HydrophobicContact CD2-CB 4.32Å; L484-E522 HydrophobicContact CD1-CB 3.95Å; L484-E522 HydrophobicContact CD1-CG 3.62Å
485	T	86.8	Confident	86.4	Confident	66 Å²	66	53.9 Å²	53.9	41%	0.405	31%	0.308	S	S	.	.			trans	-96.8	172.6	-179.7	67.4	0	0	0	0	111.6	T460 D483 N520	T460-T485 HydrophobicContact CG2-CG2 3.92Å; D483-T485 HydrophobicContact CB-CG2 4.18Å; D483-T485 PolarHBondContact O-N 3.01Å; T485-N520 PolarHBondContact O-ND2 3.46Å
486	G	85.7	Confident	86.8	Confident	54 Å²	54	55.7 Å²	55.7	56%	0.557	31%	0.314	S	S	*	.			trans	79.1	17.7	174.3	0	0	0	0	0	114.7	H459 P488	H459-G486 PolarHBondContact O-N 2.7Å; G486-P488 WeakPolarHBondContact O-CD 3.47Å
487	I	85.7	Confident	87.1	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.005	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-70.2	125.8	176.4	-58.9	169.2	0	0	0	108.7	T453 H459 V461 P495 I497	T453-I487 HydrophobicContact CG2-CD1 4.43Å; T453-I487 HydrophobicContact CG2-CG2 4.28Å; H459-I487 PolarHBondContact ND1-O 3.01Å; H459-I487 PolarHBondContact O-N 3.28Å; V461-I487 HydrophobicContact CB-CD1 3.78Å; V461-I487 HydrophobicContact CG2-CD1 3.32Å; I487-P495 HydrophobicContact CG2-CB 3.87Å; I487-P495 HydrophobicContact CG2-CG 3.85Å; I487-I497 HydrophobicContact CD1-CD1 3.93Å; I487-I497 HydrophobicContact CG1-CD1 4.32Å
488	P	88.6	Confident	87.6	Confident	59 Å²	59	54 Å²	54	38%	0.383	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-62.3	148	178.7	-23.4	33.9	0	0	0	112.3	G486 A490 T518	G486-P488 WeakPolarHBondContact O-CD 3.47Å; P488-A490 PolarHBondContact O-N 3.31Å; P488-A490 VanDerWaalsContact O-N 3.08Å; P488-T518 HydrophobicContact CG-CG2 3.37Å
489	P	90	Very high	87.9	Confident	87 Å²	87	50.7 Å²	50.7	57%	0.565	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-54.7	117	172.2	-21	28.3	0	0	0	111.7	N457	N457-P489 HydrophobicContact CB-CB 4.28Å; N457-P489 WeakPolarHBondContact OD1-CB 3.29Å
490	A	89.5	Confident	88.3	Confident	18 Å²	18	51 Å²	51	15%	0.149	29%	0.291	C	S	.	.			trans	-147.3	154.3	172.7	0	0	0	0	0	109.9	N457 P488 I494 P495	N457-A490 PolarHBondContact N-O 3.34Å; P488-A490 PolarHBondContact O-N 3.31Å; P488-A490 VanDerWaalsContact O-N 3.08Å; A490-I494 HydrophobicContact CB-CB 4.15Å; A490-I494 HydrophobicContact CB-CG2 4.19Å; A490-P495 HydrophobicContact CB-CG 4.09Å
491	P	89.5	Confident	88.8	Confident	73 Å²	73	50.6 Å²	50.6	47%	0.474	29%	0.287	S	S	.	.			trans	-48.8	146.3	165.4	-25.7	29	0	0	0	112.2	I494	P491-I494 HydrophobicContact CB-CD1 3.71Å; P491-I494 HydrophobicContact CB-CG1 4.22Å; P491-I494 HydrophobicContact CG-CD1 3.7Å; P491-I494 WeakPolarHBondContact O-CB 3.48Å; P491-I494 PolarHBondContact O-N 3.18Å
492	R	88	Confident	89.1	Confident	175 Å²	175	48.2 Å²	48.2	66%	0.66	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	144.8	174.7	71.2	-175.8	-177	167	-0.2	110.5	D456 I494	D456-R492 WeakPolarHBondContact OD1-CB 3.47Å; D456-R492 WeakPolarHBondContact OD1-CG 3.28Å; D456-R492 PolarHBondContact OD1-N 3.29Å; R492-I494 VanDerWaalsContact C-N 3.29Å; R492-I494 PolarHBondContact O-N 3.35Å
493	G	84.8	Confident	89.3	Confident	44 Å²	44	47.8 Å²	47.8	45%	0.454	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.8	-8.8	-179.4	0	0	0	0	0	115.4	S452 T453	S452-G493 WeakPolarHBondContact OG-CA 3.31Å; S452-G493 PolarHBondContact OG-N 3.44Å; S452-G493 PolarHBondContact OG-O 2.81Å; T453-G493 PolarHBondContact O-N 2.89Å
494	I	90.1	Very high	89.4	Confident	98 Å²	98	45.7 Å²	45.7	50%	0.503	27%	0.265	S	S	.	.			trans	-88.2	-51.1	-178.8	-62.2	-173.7	0	0	0	113.1	S452 A490 P491 R492 Q496	S452-I494 PolarHBondContact OG-N 3.36Å; A490-I494 HydrophobicContact CB-CB 4.15Å; A490-I494 HydrophobicContact CB-CG2 4.19Å; P491-I494 HydrophobicContact CB-CD1 3.71Å; P491-I494 HydrophobicContact CB-CG1 4.22Å; P491-I494 HydrophobicContact CG-CD1 3.7Å; P491-I494 WeakPolarHBondContact O-CB 3.48Å; P491-I494 PolarHBondContact O-N 3.18Å; R492-I494 VanDerWaalsContact C-N 3.29Å; R492-I494 PolarHBondContact O-N 3.35Å; I494-Q496 PolarHBondContact O-N 3.09Å; I494-Q496 PolarHBondContact O-NE2 3.13Å
495	P	87.7	Confident	89.5	Confident	14 Å²	14	47.2 Å²	47.2	9%	0.091	28%	0.278	C	S	.	.	S	Bend	trans	-57	132.5	179.1	-26.4	37.2	0	0	0	112	S452 T453 I487 A490 I497	S452-P495 VanDerWaalsContact CA-O 3.28Å; S452-P495 WeakPolarHBondContact CA-O 3.35Å; S452-P495 WeakPolarHBondContact CB-O 3.26Å; S452-P495 PolarHBondContact OG-O 3.31Å; T453-P495 HydrophobicContact CG2-CB 4.02Å; T453-P495 HydrophobicContact CG2-CG 3.74Å; T453-P495 WeakPolarHBondContact OG1-CD 3.37Å; I487-P495 HydrophobicContact CG2-CB 3.87Å; I487-P495 HydrophobicContact CG2-CG 3.85Å; A490-P495 HydrophobicContact CB-CG 4.09Å; P495-I497 HydrophobicContact CB-CD1 4.18Å
496	Q	90.7	Very high	89.3	Confident	90 Å²	90	45 Å²	45	42%	0.421	26%	0.263	S	S	.	.			trans	-103	93.3	-176.6	-62.8	-62.8	-64.5	0	0	109.2	V450 I494 K516	V450-Q496 HydrophobicContact CG1-CB 4.07Å; I494-Q496 PolarHBondContact O-N 3.09Å; I494-Q496 PolarHBondContact O-NE2 3.13Å; Q496-K516 HydrophobicContact CB-CB 4.05Å; Q496-K516 PolarHBondContact O-N 3.1Å
497	I	89.3	Confident	89.2	Confident	1 Å²	1	43 Å²	43	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	100.2	-177	-49.4	-51.9	0	0	0	109.3	V450 F451 V461 L484 I487 P495 V499 A513 E514 D515	V450-I497 WeakPolarHBondContact CA-O 3.42Å; F451-I497 PolarHBondContact N-O 3.01Å; F451-I497 PolarHBondContact O-N 2.8Å; V461-I497 HydrophobicContact CG2-CG1 4.39Å; L484-I497 HydrophobicContact CD2-CD1 3.88Å; L484-I497 HydrophobicContact CD2-CG2 3.6Å; I487-I497 HydrophobicContact CD1-CD1 3.93Å; I487-I497 HydrophobicContact CG1-CD1 4.32Å; P495-I497 HydrophobicContact CB-CD1 4.18Å; I497-V499 HydrophobicContact CG2-CG2 4.31Å; I497-V499 PolarHBondContact O-N 2.81Å; I497-A513 HydrophobicContact CG2-CB 4.45Å; I497-E514 CarbonylContact C-O 3.16Å; I497-E514 WeakPolarHBondContact CA-O 3.32Å; I497-D515 HydrophobicContact CD1-CB 3.85Å
498	E	92.9	Very high	89	Confident	46 Å²	46	43.3 Å²	43.3	22%	0.215	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	115.7	175.4	-176.5	179	-93.1	0	0	110.3	V450 A513 E514 K516	V450-E498 HydrophobicContact CG2-CB 4.28Å; V450-E498 HydrophobicContact CG2-CG 4.46Å; E498-A513 CarbonylContact O-C 3.55Å; E498-A513 VanDerWaalsContact O-CA 3.28Å; E498-A513 WeakPolarHBondContact O-CA 3.44Å; E498-E514 PolarHBondContact N-O 2.85Å; E498-E514 PolarHBondContact O-N 3.02Å; E498-K516 HydrophobicContact CB-CD 4.5Å; E498-K516 HydrophobicContact CB-CG 4.26Å; E498-K516 WeakPolarHBondContact OE1-CE 3.34Å; E498-K516 IonicContact OE1-NZ 3.17Å; E498-K516 PolarHBondContact OE1-NZ 3.36Å; E498-K516 WeakPolarHBondContact OE2-CE 3.2Å; E498-K516 IonicContact OE2-NZ 2.69Å; E498-K516 PolarHBondContact OE2-NZ 2.91Å
499	V	91.8	Very high	88.9	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	124.2	173.4	-173	0	0	0	0	108.9	S448 Q449 F451 I463 I497 F501 V511 S512 A513	S448-V499 CarbonylContact C-O 3.5Å; S448-V499 VanDerWaalsContact CA-O 3.31Å; S448-V499 WeakPolarHBondContact CA-O 3.49Å; Q449-V499 PolarHBondContact N-O 3.3Å; Q449-V499 PolarHBondContact O-N 3.24Å; F451-V499 HydrophobicContact CD2-CB 4.05Å; F451-V499 HydrophobicContact CD2-CG2 3.72Å; F451-V499 HydrophobicContact CE2-CB 4.12Å; F451-V499 HydrophobicContact CE2-CG2 4.24Å; I463-V499 HydrophobicContact CD1-CG1 4.42Å; I463-V499 HydrophobicContact CD1-CG2 3.57Å; I463-V499 HydrophobicContact CG1-CG2 4.3Å; I463-V499 HydrophobicContact CG2-CG1 4.37Å; I497-V499 HydrophobicContact CG2-CG2 4.31Å; I497-V499 PolarHBondContact O-N 2.81Å; V499-F501 HydrophobicContact CG1-CD2 4.02Å; V499-F501 HydrophobicContact CG1-CE2 3.61Å; V499-V511 HydrophobicContact CG1-CG1 3.88Å; V499-S512 CarbonylContact C-O 3.58Å; V499-S512 VanDerWaalsContact CA-O 3.32Å; V499-S512 WeakPolarHBondContact CA-O 3.31Å; V499-A513 HydrophobicContact CG2-CB 4.39Å
500	S	93.4	Very high	88.8	Confident	9 Å²	9	38.8 Å²	38.8	6%	0.063	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126.9	-179.2	-61.1	0	0	0	0	111	K447 S448 V511 S512	K447-S500 CarbonylContact O-C 3.6Å; K447-S500 WeakPolarHBondContact O-CA 3.42Å; S448-S500 WeakPolarHBondContact CB-OG 3.47Å; S448-S500 WeakPolarHBondContact OG-CB 3.37Å; S448-S500 PolarHBondContact OG-OG 2.93Å; S500-V511 CarbonylContact O-C 3.42Å; S500-V511 WeakPolarHBondContact O-CA 3.48Å; S500-S512 PolarHBondContact N-O 2.82Å; S500-S512 PolarHBondContact O-N 3.37Å
501	F	93.9	Very high	88.8	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	128.5	174.3	-79.3	-124.4	0	0	0	108.4	M424 I426 L436 I437 K446 K447 V465 V499 L509 V511	M424-F501 HydrophobicContact CB-CD1 3.92Å; M424-F501 HydrophobicContact CB-CE1 4.01Å; I426-F501 HydrophobicContact CG2-CE2 3.71Å; I426-F501 HydrophobicContact CG2-CZ 3.45Å; I426-F501 VanDerWaalsContact CG2-CZ 3.45Å; L436-F501 HydrophobicContact CB-CD2 4.48Å; L436-F501 HydrophobicContact CB-CG 4.47Å; L436-F501 HydrophobicContact CD2-CD2 3.33Å; L436-F501 HydrophobicContact CD2-CE2 3.49Å; L436-F501 VanDerWaalsContact CD2-CE2 3.49Å; L436-F501 HydrophobicContact CD2-CG 4.09Å; L436-F501 HydrophobicContact CD2-CZ 4.32Å; L436-F501 HydrophobicContact CG-CD2 4.49Å; I437-F501 HydrophobicContact CD1-CB 3.61Å; I437-F501 HydrophobicContact CG1-CB 4.28Å; K446-F501 CarbonylContact C-O 3.55Å; K446-F501 VanDerWaalsContact CA-O 3.27Å; K446-F501 WeakPolarHBondContact CA-O 3.37Å; K447-F501 PolarHBondContact N-O 3.39Å; K447-F501 PolarHBondContact O-N 3.4Å; V465-F501 HydrophobicContact CB-CZ 4.48Å; V465-F501 HydrophobicContact CG1-CE1 3.65Å; V465-F501 HydrophobicContact CG1-CZ 3.78Å; V465-F501 HydrophobicContact CG2-CZ 4.06Å; V499-F501 HydrophobicContact CG1-CD2 4.02Å; V499-F501 HydrophobicContact CG1-CE2 3.61Å; F501-L509 HydrophobicContact CB-CD1 4.1Å; F501-L509 HydrophobicContact CD1-CD1 3.63Å; F501-L509 HydrophobicContact CD1-CD2 3.98Å; F501-L509 HydrophobicContact CD1-CG 4.43Å; F501-L509 HydrophobicContact CE1-CD1 4.44Å; F501-L509 HydrophobicContact CE1-CD2 3.97Å; F501-L509 HydrophobicContact CG-CD1 4.21Å; F501-V511 HydrophobicContact CD1-CG2 4.08Å; F501-V511 HydrophobicContact CD2-CG1 3.98Å; F501-V511 HydrophobicContact CD2-CG2 4.29Å; F501-V511 HydrophobicContact CE1-CG2 4.02Å; F501-V511 HydrophobicContact CE2-CG1 3.71Å; F501-V511 HydrophobicContact CE2-CG2 4.22Å; F501-V511 HydrophobicContact CG-CG2 4.2Å; F501-V511 HydrophobicContact CZ-CG1 4.2Å; F501-V511 HydrophobicContact CZ-CG2 4.07Å
502	E	93.4	Very high	88.9	Confident	83 Å²	83	36.3 Å²	36.3	39%	0.388	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	120.7	176.8	-175.7	173.4	159.3	0	0	108.7	T445 K446 Q510	T445-E502 CarbonylContact O-C 3.59Å; T445-E502 WeakPolarHBondContact O-CA 3.42Å; K446-E502 HydrophobicContact CG-CB 4.49Å; E502-Q510 HydrophobicContact CB-CB 4.44Å; E502-Q510 PolarHBondContact N-O 2.9Å; E502-Q510 PolarHBondContact O-N 2.82Å
503	I	89.7	Confident	89	Confident	1 Å²	1	28 Å²	28	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	122.5	174.8	-56	177	0	0	0	107.2	N420 M424 I437 I443 P444 T445 I508 L509	N420-I503 HydrophobicContact CB-CD1 3.89Å; M424-I503 HydrophobicContact CG-CD1 4.1Å; I437-I503 HydrophobicContact CD1-CD1 3.81Å; I437-I503 HydrophobicContact CD1-CG1 3.92Å; I437-I503 HydrophobicContact CG2-CD1 4.03Å; I443-I503 HydrophobicContact CB-CG2 4.38Å; I443-I503 HydrophobicContact CG2-CB 4.07Å; I443-I503 HydrophobicContact CG2-CG2 3.65Å; P444-I503 CarbonylContact C-O 3.47Å; P444-I503 WeakPolarHBondContact CA-O 3.36Å; P444-I503 WeakPolarHBondContact CB-O 3.27Å; T445-I503 HydrophobicContact CG2-CB 4.25Å; T445-I503 HydrophobicContact CG2-CD1 4.41Å; T445-I503 HydrophobicContact CG2-CG1 4.49Å; T445-I503 PolarHBondContact N-O 2.95Å; T445-I503 PolarHBondContact O-N 3.26Å; I503-I508 WeakPolarHBondContact CA-O 3.35Å; I503-L509 HydrophobicContact CG1-CD1 3.85Å
504	D	89.5	Confident	89.3	Confident	39 Å²	39	27.6 Å²	27.6	21%	0.209	15%	0.149	C	C	.	.			trans	-77.8	-179.7	-179.8	83.9	-7	0	0	0	112.2	N506 G507 I508	D504-N506 PolarHBondContact O-N 2.87Å; D504-N506 WeakPolarHBondContact OD1-CA 3.26Å; D504-N506 VanDerWaalsContact OD1-CB 3.29Å; D504-N506 WeakPolarHBondContact OD1-CB 3.36Å; D504-N506 PolarHBondContact OD1-N 3.49Å; D504-N506 PolarHBondContact OD2-ND2 3.18Å; D504-G507 PolarHBondContact O-N 3.33Å; D504-G507 PolarHBondContact OD1-N 2.74Å; D504-G507 VanDerWaalsContact OD1-N 3.13Å; D504-I508 PolarHBondContact N-O 3.42Å; D504-I508 PolarHBondContact OD1-N 2.66Å
505	A	88.7	Confident	89.4	Confident	33 Å²	33	23.2 Å²	23.2	27%	0.273	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	1.2	-178.1	0	0	0	0	0	114.3	R197	R197-A505 WeakPolarHBondContact CD-O 3.31Å; R197-A505 PolarHBondContact NH1-O 2.79Å; R197-A505 VanDerWaalsContact NH1-O 3.1Å
506	N	82.5	Confident	89.5	Confident	20 Å²	20	26.9 Å²	26.9	11%	0.107	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-3.6	168	-57.7	-66.7	0	0	0	111.8	R197 I198 D504 I508	R197-N506 WeakPolarHBondContact CA-OD1 3.4Å; R197-N506 WeakPolarHBondContact CD-OD1 2.94Å; I198-N506 HydrophobicContact CB-CB 4.26Å; I198-N506 PolarHBondContact N-OD1 3.39Å; D504-N506 PolarHBondContact O-N 2.87Å; D504-N506 WeakPolarHBondContact OD1-CA 3.26Å; D504-N506 VanDerWaalsContact OD1-CB 3.29Å; D504-N506 WeakPolarHBondContact OD1-CB 3.36Å; D504-N506 PolarHBondContact OD1-N 3.49Å; D504-N506 PolarHBondContact OD2-ND2 3.18Å; N506-I508 HydrophobicContact CB-CD1 3.99Å; N506-I508 HydrophobicContact CB-CG1 4.06Å
507	G	83.8	Confident	89.3	Confident	11 Å²	11	25.9 Å²	25.9	11%	0.113	16%	0.155	C	C	.	.	S	Bend	trans	80.2	17.1	-173.6	0	0	0	0	0	114.2	D504	D504-G507 PolarHBondContact O-N 3.33Å; D504-G507 PolarHBondContact OD1-N 2.74Å; D504-G507 VanDerWaalsContact OD1-N 3.13Å
508	I	81.6	Confident	89.2	Confident	8 Å²	8	29.1 Å²	29.1	4%	0.041	17%	0.174	C	C	.	.			trans	-91.3	133.3	-177.9	-60.8	171.4	0	0	0	110.1	D178 K185 I503 D504 N506	D178-I508 WeakPolarHBondContact OD1-CA 3.28Å; K185-I508 HydrophobicContact CD-CD1 4.09Å; I503-I508 WeakPolarHBondContact CA-O 3.35Å; D504-I508 PolarHBondContact N-O 3.42Å; D504-I508 PolarHBondContact OD1-N 2.66Å; N506-I508 HydrophobicContact CB-CD1 3.99Å; N506-I508 HydrophobicContact CB-CG1 4.06Å
509	L	85.5	Confident	88.9	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	132.3	-176.5	-179.4	66.6	0	0	0	113.3	D178 M424 V465 L479 F501 I503 V511 I526	D178-L509 PolarHBondContact OD1-N 2.84Å; M424-L509 HydrophobicContact CE-CB 3.71Å; M424-L509 HydrophobicContact CE-CD1 4.42Å; M424-L509 HydrophobicContact CE-CD2 3.56Å; M424-L509 HydrophobicContact CE-CG 4.07Å; M424-L509 HydrophobicContact SD-CD2 4.07Å; V465-L509 HydrophobicContact CG1-CD2 3.71Å; L479-L509 HydrophobicContact CD1-CD2 3.92Å; F501-L509 HydrophobicContact CB-CD1 4.1Å; F501-L509 HydrophobicContact CD1-CD1 3.63Å; F501-L509 HydrophobicContact CD1-CD2 3.98Å; F501-L509 HydrophobicContact CD1-CG 4.43Å; F501-L509 HydrophobicContact CE1-CD1 4.44Å; F501-L509 HydrophobicContact CE1-CD2 3.97Å; F501-L509 HydrophobicContact CG-CD1 4.21Å; I503-L509 HydrophobicContact CG1-CD1 3.85Å; L509-V511 HydrophobicContact CD1-CG2 4.04Å; L509-V511 HydrophobicContact CD2-CG2 3.64Å; L509-V511 HydrophobicContact CG-CG2 3.72Å; L509-I526 HydrophobicContact CD2-CG1 4.06Å; L509-I526 HydrophobicContact CG-CG1 4.22Å; L509-I526 PolarHBondContact O-N 3.41Å
510	Q	87.9	Confident	88.5	Confident	51 Å²	51	31.4 Å²	31.4	24%	0.238	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.1	164.5	-55.4	-172.1	17.4	0	0	109.7	E502 V525	E502-Q510 HydrophobicContact CB-CB 4.44Å; E502-Q510 PolarHBondContact N-O 2.9Å; E502-Q510 PolarHBondContact O-N 2.82Å; Q510-V525 HydrophobicContact CG-CG1 4.33Å; Q510-V525 HydrophobicContact CG-CG2 4.35Å
511	V	90	Very high	88.1	Confident	0 Å²	0	37 Å²	37	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	139.7	178.2	-172.1	0	0	0	0	110.1	V465 F482 V499 S500 F501 L509 I524 I526	V465-V511 HydrophobicContact CG1-CG2 4.18Å; V465-V511 HydrophobicContact CG2-CB 4.48Å; V465-V511 HydrophobicContact CG2-CG1 4.19Å; V465-V511 HydrophobicContact CG2-CG2 4.14Å; F482-V511 HydrophobicContact CE1-CB 4.12Å; F482-V511 HydrophobicContact CE1-CG1 3.72Å; F482-V511 HydrophobicContact CZ-CB 4.41Å; F482-V511 HydrophobicContact CZ-CG1 3.73Å; V499-V511 HydrophobicContact CG1-CG1 3.88Å; S500-V511 CarbonylContact O-C 3.42Å; S500-V511 WeakPolarHBondContact O-CA 3.48Å; F501-V511 HydrophobicContact CD1-CG2 4.08Å; F501-V511 HydrophobicContact CD2-CG1 3.98Å; F501-V511 HydrophobicContact CD2-CG2 4.29Å; F501-V511 HydrophobicContact CE1-CG2 4.02Å; F501-V511 HydrophobicContact CE2-CG1 3.71Å; F501-V511 HydrophobicContact CE2-CG2 4.22Å; F501-V511 HydrophobicContact CG-CG2 4.2Å; F501-V511 HydrophobicContact CZ-CG1 4.2Å; F501-V511 HydrophobicContact CZ-CG2 4.07Å; L509-V511 HydrophobicContact CD1-CG2 4.04Å; L509-V511 HydrophobicContact CD2-CG2 3.64Å; L509-V511 HydrophobicContact CG-CG2 3.72Å; V511-I524 CarbonylContact C-O 3.5Å; V511-I524 WeakPolarHBondContact CA-O 3.39Å; V511-I524 PolarHBondContact N-O 3.12Å; V511-I524 CarbonylContact O-C 3.56Å; V511-I524 PolarHBondContact O-N 3.02Å; V511-I526 HydrophobicContact CB-CD1 4.19Å; V511-I526 HydrophobicContact CB-CG1 4.14Å; V511-I526 HydrophobicContact CG2-CD1 3.86Å; V511-I526 HydrophobicContact CG2-CG1 3.6Å
512	S	91	Very high	87.3	Confident	39 Å²	39	40.4 Å²	40.4	27%	0.273	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	150.5	173.1	49.9	0	0	0	0	110.3	V499 S500 E522	V499-S512 CarbonylContact C-O 3.58Å; V499-S512 VanDerWaalsContact CA-O 3.32Å; V499-S512 WeakPolarHBondContact CA-O 3.31Å; S500-S512 PolarHBondContact N-O 2.82Å; S500-S512 PolarHBondContact O-N 3.37Å; S512-E522 WeakPolarHBondContact CA-O 3.42Å
513	A	90.3	Very high	86.3	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.008	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	133.2	173.3	0	0	0	0	0	110.1	I463 F482 L484 I497 E498 V499 K521 E522	I463-A513 HydrophobicContact CD1-CB 3.26Å; F482-A513 HydrophobicContact CE2-CB 3.69Å; F482-A513 HydrophobicContact CZ-CB 4.19Å; L484-A513 HydrophobicContact CD2-CB 4.15Å; I497-A513 HydrophobicContact CG2-CB 4.45Å; E498-A513 CarbonylContact O-C 3.55Å; E498-A513 VanDerWaalsContact O-CA 3.28Å; E498-A513 WeakPolarHBondContact O-CA 3.44Å; V499-A513 HydrophobicContact CG2-CB 4.39Å; A513-K521 WeakPolarHBondContact O-CA 3.28Å; A513-E522 PolarHBondContact N-O 3.31Å; A513-E522 PolarHBondContact O-N 3.1Å; A513-E522 VanDerWaalsContact O-O 3.09Å
514	E	91.5	Very high	85.1	Confident	35 Å²	35	44.3 Å²	44.3	16%	0.164	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	125.7	176.5	176.2	177	-165.7	0	0	109.3	I497 E498 K516 N520 K521	I497-E514 CarbonylContact C-O 3.16Å; I497-E514 WeakPolarHBondContact CA-O 3.32Å; E498-E514 PolarHBondContact N-O 2.85Å; E498-E514 PolarHBondContact O-N 3.02Å; E514-K516 HydrophobicContact CG-CD 4.24Å; E514-K516 PolarHBondContact O-N 2.96Å; E514-K516 IonicContact OE1-NZ 3.41Å; E514-K516 IonicContact OE2-NZ 2.74Å; E514-K516 PolarHBondContact OE2-NZ 2.85Å; E514-N520 CarbonylContact C-O 3.6Å; E514-N520 WeakPolarHBondContact CA-O 3.5Å; E514-K521 HydrophobicContact CB-CG 3.94Å; E514-K521 VanDerWaalsContact CD-NZ 3.3Å; E514-K521 HydrophobicContact CG-CD 4.41Å; E514-K521 HydrophobicContact CG-CG 3.82Å; E514-K521 WeakPolarHBondContact OE1-CE 3.15Å; E514-K521 IonicContact OE1-NZ 3.38Å; E514-K521 PolarHBondContact OE1-NZ 3.13Å; E514-K521 VanDerWaalsContact OE1-NZ 3.14Å; E514-K521 VanDerWaalsContact OE2-CE 3.28Å; E514-K521 WeakPolarHBondContact OE2-CE 3.47Å; E514-K521 IonicContact OE2-NZ 3.83Å; E514-K521 PolarHBondContact OE2-NZ 2.8Å; E514-K521 VanDerWaalsContact OE2-NZ 3.1Å
515	D	91.1	Very high	83.7	Confident	5 Å²	5	44.9 Å²	44.9	3%	0.027	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	107.4	160.7	172.6	14.7	0	0	0	108.6	L484 I497 G517 T518 G519 N520	L484-D515 HydrophobicContact CD2-CB 4.32Å; I497-D515 HydrophobicContact CD1-CB 3.85Å; D515-G517 PolarHBondContact O-N 2.84Å; D515-G517 VanDerWaalsContact O-N 3.16Å; D515-G517 PolarHBondContact OD1-N 2.76Å; D515-T518 WeakPolarHBondContact CB-OG1 3.28Å; D515-T518 VanDerWaalsContact CG-OG1 3.25Å; D515-T518 PolarHBondContact O-N 2.88Å; D515-T518 WeakPolarHBondContact OD2-CB 3.15Å; D515-T518 VanDerWaalsContact OD2-CG2 3.26Å; D515-T518 WeakPolarHBondContact OD2-CG2 3.15Å; D515-T518 PolarHBondContact OD2-OG1 3Å; D515-G519 WeakPolarHBondContact O-CA 3.32Å; D515-G519 PolarHBondContact O-N 3.17Å; D515-N520 PolarHBondContact N-O 3.25Å
516	K	91.3	Very high	82.2	Confident	92 Å²	92	43.4 Å²	43.4	40%	0.4	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-19.9	-179.1	-67.7	-66.7	-175.7	-164.5	0	113.3	Q496 E498 E514	Q496-K516 HydrophobicContact CB-CB 4.05Å; Q496-K516 PolarHBondContact O-N 3.1Å; E498-K516 HydrophobicContact CB-CD 4.5Å; E498-K516 HydrophobicContact CB-CG 4.26Å; E498-K516 WeakPolarHBondContact OE1-CE 3.34Å; E498-K516 IonicContact OE1-NZ 3.17Å; E498-K516 PolarHBondContact OE1-NZ 3.36Å; E498-K516 WeakPolarHBondContact OE2-CE 3.2Å; E498-K516 IonicContact OE2-NZ 2.69Å; E498-K516 PolarHBondContact OE2-NZ 2.91Å; E514-K516 HydrophobicContact CG-CD 4.24Å; E514-K516 PolarHBondContact O-N 2.96Å; E514-K516 IonicContact OE1-NZ 3.41Å; E514-K516 IonicContact OE2-NZ 2.74Å; E514-K516 PolarHBondContact OE2-NZ 2.85Å
517	G	85.7	Confident	80.7	Confident	69 Å²	69	45 Å²	45	71%	0.711	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-43.3	178.8	0	0	0	0	0	113	D515	D515-G517 PolarHBondContact O-N 2.84Å; D515-G517 VanDerWaalsContact O-N 3.16Å; D515-G517 PolarHBondContact OD1-N 2.76Å
518	T	87.4	Confident	79.1	Confident	68 Å²	68	45.4 Å²	45.4	42%	0.417	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-18.9	-178.4	56.1	0	0	0	0	113.4	P488 D515 N520	P488-T518 HydrophobicContact CG-CG2 3.37Å; D515-T518 WeakPolarHBondContact CB-OG1 3.28Å; D515-T518 VanDerWaalsContact CG-OG1 3.25Å; D515-T518 PolarHBondContact O-N 2.88Å; D515-T518 WeakPolarHBondContact OD2-CB 3.15Å; D515-T518 VanDerWaalsContact OD2-CG2 3.26Å; D515-T518 WeakPolarHBondContact OD2-CG2 3.15Å; D515-T518 PolarHBondContact OD2-OG1 3Å; T518-N520 PolarHBondContact O-N 2.94Å; T518-N520 VanDerWaalsContact OG1-CB 3.31Å; T518-N520 WeakPolarHBondContact OG1-CB 3.5Å; T518-N520 PolarHBondContact OG1-N 3.37Å; T518-N520 VanDerWaalsContact OG1-N 3.16Å
519	G	85.8	Confident	77.6	Confident	39 Å²	39	51 Å²	51	40%	0.402	29%	0.286	S	S	.	.			trans	71.8	7.4	-166.6	0	0	0	0	0	113	D515 K521	D515-G519 WeakPolarHBondContact O-CA 3.32Å; D515-G519 PolarHBondContact O-N 3.17Å; G519-K521 PolarHBondContact O-N 3.02Å
520	N	84	Confident	76.1	Confident	56 Å²	56	58.3 Å²	58.3	30%	0.299	32%	0.32	S	S	.	.			trans	-65.7	132.4	176.9	-167.3	25.6	0	0	0	109.7	T485 E514 D515 T518	T485-N520 PolarHBondContact O-ND2 3.46Å; E514-N520 CarbonylContact C-O 3.6Å; E514-N520 WeakPolarHBondContact CA-O 3.5Å; D515-N520 PolarHBondContact N-O 3.25Å; T518-N520 PolarHBondContact O-N 2.94Å; T518-N520 VanDerWaalsContact OG1-CB 3.31Å; T518-N520 WeakPolarHBondContact OG1-CB 3.5Å; T518-N520 PolarHBondContact OG1-N 3.37Å; T518-N520 VanDerWaalsContact OG1-N 3.16Å
521	K	84.5	Confident	74.8	Confident	126 Å²	126	56.7 Å²	56.7	55%	0.548	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	128.7	-175.2	-70.4	-178.8	-175	-157.4	0	109.5	A513 E514 G519	A513-K521 WeakPolarHBondContact O-CA 3.28Å; E514-K521 HydrophobicContact CB-CG 3.94Å; E514-K521 VanDerWaalsContact CD-NZ 3.3Å; E514-K521 HydrophobicContact CG-CD 4.41Å; E514-K521 HydrophobicContact CG-CG 3.82Å; E514-K521 WeakPolarHBondContact OE1-CE 3.15Å; E514-K521 IonicContact OE1-NZ 3.38Å; E514-K521 PolarHBondContact OE1-NZ 3.13Å; E514-K521 VanDerWaalsContact OE1-NZ 3.14Å; E514-K521 VanDerWaalsContact OE2-CE 3.28Å; E514-K521 WeakPolarHBondContact OE2-CE 3.47Å; E514-K521 IonicContact OE2-NZ 3.83Å; E514-K521 PolarHBondContact OE2-NZ 2.8Å; E514-K521 VanDerWaalsContact OE2-NZ 3.1Å; G519-K521 PolarHBondContact O-N 3.02Å
522	E	78.4	Confident	73.7	Confident	72 Å²	72	59 Å²	59	34%	0.336	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	125.8	162.9	-69.9	-62.7	161.9	0	0	107.5	L484 S512 A513	L484-E522 HydrophobicContact CD1-CB 3.95Å; L484-E522 HydrophobicContact CD1-CG 3.62Å; S512-E522 WeakPolarHBondContact CA-O 3.42Å; A513-E522 PolarHBondContact N-O 3.31Å; A513-E522 PolarHBondContact O-N 3.1Å; A513-E522 VanDerWaalsContact O-O 3.09Å
523	K	72.1	Confident	72.8	Confident	121 Å²	121	58 Å²	58	53%	0.526	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	127.2	173.4	177.1	177.6	178.3	179.6	0	107.4
524	I	64.1	Low	72.4	Confident	46 Å²	46	60.5 Å²	60.5	24%	0.236	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	100.9	168.4	-66.7	-115.4	0	0	0	105.1	F482 V511 I526	F482-I524 HydrophobicContact CB-CB 4.27Å; F482-I524 HydrophobicContact CB-CD1 3.21Å; F482-I524 HydrophobicContact CB-CG1 3.37Å; F482-I524 HydrophobicContact CD1-CB 3.79Å; F482-I524 HydrophobicContact CD1-CD1 4.37Å; F482-I524 HydrophobicContact CD1-CG1 3.81Å; F482-I524 HydrophobicContact CD1-CG2 4.1Å; F482-I524 HydrophobicContact CD2-CB 4.48Å; F482-I524 HydrophobicContact CD2-CG1 3.83Å; F482-I524 HydrophobicContact CE1-CB 4.18Å; F482-I524 HydrophobicContact CE2-CG1 4.5Å; F482-I524 HydrophobicContact CG-CB 3.98Å; F482-I524 HydrophobicContact CG-CD1 3.89Å; F482-I524 HydrophobicContact CG-CG1 3.44Å; F482-I524 VanDerWaalsContact CG-CG1 3.44Å; V511-I524 CarbonylContact C-O 3.5Å; V511-I524 WeakPolarHBondContact CA-O 3.39Å; V511-I524 PolarHBondContact N-O 3.12Å; V511-I524 CarbonylContact O-C 3.56Å; V511-I524 PolarHBondContact O-N 3.02Å; I524-I526 HydrophobicContact CG2-CD1 4.11Å; I524-I526 PolarHBondContact O-N 2.81Å; I524-I526 VanDerWaalsContact O-N 3.09Å
525	V	60.8	Low	71.9	Confident	51 Å²	51	63 Å²	63	31%	0.309	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	124	147.9	179.1	0	0	0	0	103.3	Q510 T527	Q510-V525 HydrophobicContact CG-CG1 4.33Å; Q510-V525 HydrophobicContact CG-CG2 4.35Å; V525-T527 HydrophobicContact CB-CG2 4.14Å; V525-T527 HydrophobicContact CG1-CG2 3.88Å; V525-T527 PolarHBondContact O-N 2.89Å; V525-T527 PolarHBondContact O-OG1 2.91Å
526	I	57	Low	71.6	Confident	1 Å²	1	69 Å²	69	1%	0.005	38%	0.376	C	S	.	.			trans	-67.8	75	179.8	-62.8	-82.7	0	0	0	106.1	V465 L479 L509 V511 I524 N528 R532	V465-I526 HydrophobicContact CB-CD1 3.83Å; V465-I526 HydrophobicContact CG1-CD1 4.02Å; V465-I526 HydrophobicContact CG2-CD1 3.79Å; L479-I526 HydrophobicContact CB-CG2 3.97Å; L479-I526 WeakPolarHBondContact O-CG2 3.37Å; L509-I526 HydrophobicContact CD2-CG1 4.06Å; L509-I526 HydrophobicContact CG-CG1 4.22Å; L509-I526 PolarHBondContact O-N 3.41Å; V511-I526 HydrophobicContact CB-CD1 4.19Å; V511-I526 HydrophobicContact CB-CG1 4.14Å; V511-I526 HydrophobicContact CG2-CD1 3.86Å; V511-I526 HydrophobicContact CG2-CG1 3.6Å; I524-I526 HydrophobicContact CG2-CD1 4.11Å; I524-I526 PolarHBondContact O-N 2.81Å; I524-I526 VanDerWaalsContact O-N 3.09Å; I526-N528 VanDerWaalsContact C-N 3.33Å; I526-N528 PolarHBondContact O-N 2.69Å; I526-R532 PolarHBondContact O-NH1 3.38Å; I526-R532 VanDerWaalsContact O-NH1 3.16Å
527	T	50.8	Low	71.2	Confident	53 Å²	53	66.2 Å²	66.2	33%	0.325	37%	0.365	S	S	.	.			trans	-84.1	94.3	159.5	56.8	0	0	0	0	100.1	V525 D529	V525-T527 HydrophobicContact CB-CG2 4.14Å; V525-T527 HydrophobicContact CG1-CG2 3.88Å; V525-T527 PolarHBondContact O-N 2.89Å; V525-T527 PolarHBondContact O-OG1 2.91Å; T527-D529 VanDerWaalsContact CB-OD1 3.31Å; T527-D529 WeakPolarHBondContact CB-OD1 3.31Å; T527-D529 PolarHBondContact O-N 3.41Å; T527-D529 PolarHBondContact OG1-OD1 2.92Å
528	N	50.1	Low	71	Confident	21 Å²	21	64 Å²	64	11%	0.112	34%	0.337	C	S	.	.			trans	-61.8	85.8	169.7	-162.3	-7.9	0	0	0	105.8	L479 I526 Q530 N531 R532	L479-N528 VanDerWaalsContact O-CB 3.3Å; L479-N528 WeakPolarHBondContact O-CB 3.37Å; L479-N528 PolarHBondContact O-ND2 3.04Å; L479-N528 VanDerWaalsContact O-ND2 3.08Å; I526-N528 VanDerWaalsContact C-N 3.33Å; I526-N528 PolarHBondContact O-N 2.69Å; N528-Q530 PolarHBondContact O-N 3.33Å; N528-N531 HydrophobicContact CB-CB 4.22Å; N528-N531 PolarHBondContact ND2-ND2 3.16Å; N528-N531 CarbonylContact O-C 3.54Å; N528-N531 PolarHBondContact O-N 2.61Å; N528-R532 PolarHBondContact O-N 2.7Å
529	D	51.1	Low	70.8	Confident	124 Å²	124	65.3 Å²	65.3	66%	0.663	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-21.4	-168.5	-74	-11.6	0	0	0	111.1	T527	T527-D529 VanDerWaalsContact CB-OD1 3.31Å; T527-D529 WeakPolarHBondContact CB-OD1 3.31Å; T527-D529 PolarHBondContact O-N 3.41Å; T527-D529 PolarHBondContact OG1-OD1 2.92Å
530	Q	53.9	Low	71	Confident	155 Å²	155	67.7 Å²	67.7	72%	0.724	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-24.6	175.7	-61.3	-171.4	-19.7	0	0	112.8	N528	N528-Q530 PolarHBondContact O-N 3.33Å
531	N	60.3	Low	71.2	Confident	17 Å²	17	65.2 Å²	65.2	9%	0.091	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.7	18.5	-173.5	-75.5	-15.2	0	0	0	114.2	E103 K126 N528	E103-N531 PolarHBondContact OE1-ND2 2.85Å; K126-N531 VanDerWaalsContact CE-CA 3.5Å; K126-N531 WeakPolarHBondContact CE-O 3.29Å; K126-N531 VanDerWaalsContact NZ-C 3.26Å; K126-N531 PolarHBondContact NZ-O 2.75Å; N528-N531 HydrophobicContact CB-CB 4.22Å; N528-N531 PolarHBondContact ND2-ND2 3.16Å; N528-N531 CarbonylContact O-C 3.54Å; N528-N531 PolarHBondContact O-N 2.61Å
532	R	67.1	Low	71.2	Confident	47 Å²	47	61 Å²	61	18%	0.177	31%	0.308	C	S	.	.	S	Bend	trans	-123	156.3	174.4	-74.5	174.8	63.8	154.2	0.7	110.8	Q182 I526 N528 T534	Q182-R532 VanDerWaalsContact NE2-NH2 3.13Å; I526-R532 PolarHBondContact O-NH1 3.38Å; I526-R532 VanDerWaalsContact O-NH1 3.16Å; N528-R532 PolarHBondContact O-N 2.7Å; R532-T534 PolarHBondContact O-N 3.35Å
533	L	72.3	Confident	71.6	Confident	18 Å²	18	65 Å²	65	9%	0.094	32%	0.32	C	S	.	.			trans	-68.3	128.6	167.6	-63	173.7	0	0	0	107.7	E143 D186 I190 D537 I538 M541	E143-L533 HydrophobicContact CB-CD1 3.83Å; E143-L533 HydrophobicContact CG-CD1 3.86Å; D186-L533 HydrophobicContact CB-CD1 4.49Å; I190-L533 HydrophobicContact CD1-CD1 4.04Å; L533-D537 HydrophobicContact CB-CB 4.2Å; L533-D537 HydrophobicContact CD2-CB 4.21Å; L533-I538 HydrophobicContact CB-CD1 4.24Å; L533-I538 HydrophobicContact CB-CG1 3.71Å; L533-I538 HydrophobicContact CD1-CG1 4.37Å; L533-M541 HydrophobicContact CD1-CE 4.11Å; L533-M541 HydrophobicContact CD1-SD 3.52Å; L533-M541 VanDerWaalsContact CD1-SD 3.52Å; L533-M541 HydrophobicContact CD2-CE 3.44Å; L533-M541 VanDerWaalsContact CD2-CE 3.44Å; L533-M541 HydrophobicContact CD2-SD 3.95Å; L533-M541 HydrophobicContact CG-CE 4.41Å; L533-M541 HydrophobicContact CG-SD 4.33Å
534	T	80.4	Confident	72.2	Confident	55 Å²	55	62.2 Å²	62.2	34%	0.337	31%	0.311	S	S	.	.			trans	-66.7	155.7	171.9	60.5	0	0	0	0	109.4	R532 E536 D537 I538	R532-T534 PolarHBondContact O-N 3.35Å; T534-E536 WeakPolarHBondContact CB-OE2 3.39Å; T534-E536 PolarHBondContact O-N 3.45Å; T534-E536 VanDerWaalsContact O-N 3.17Å; T534-D537 PolarHBondContact N-OD2 2.68Å; T534-D537 WeakPolarHBondContact O-CA 3.39Å; T534-D537 WeakPolarHBondContact O-CB 3.4Å; T534-D537 PolarHBondContact O-N 2.89Å; T534-D537 WeakPolarHBondContact OG1-CB 3.37Å; T534-D537 PolarHBondContact OG1-N 2.89Å; T534-D537 PolarHBondContact OG1-OD2 3.39Å; T534-I538 WeakPolarHBondContact O-CG1 3.48Å; T534-I538 PolarHBondContact O-N 2.86Å
535	P	81.7	Confident	73	Confident	88 Å²	88	61.1 Å²	61.1	57%	0.571	31%	0.309	S	S	*	.	H	α-helix	trans	-50.6	-37.5	171	-27.3	36.2	0	0	0	112.3	I538 D539	P535-I538 PolarHBondContact O-N 2.81Å; P535-D539 WeakPolarHBondContact O-CB 2.97Å; P535-D539 PolarHBondContact O-N 3.16Å
536	E	84.5	Confident	74.2	Confident	130 Å²	130	64.2 Å²	64.2	61%	0.607	32%	0.32	S	S	*	.	H	α-helix	trans	-67	-36.7	176.4	-62.7	75.1	-165	0	0	113.1	T534 R540	T534-E536 WeakPolarHBondContact CB-OE2 3.39Å; T534-E536 PolarHBondContact O-N 3.45Å; T534-E536 VanDerWaalsContact O-N 3.17Å; E536-R540 WeakPolarHBondContact O-CB 3.35Å; E536-R540 PolarHBondContact O-N 2.85Å; E536-R540 VanDerWaalsContact O-N 3.08Å
537	D	83.5	Confident	75.6	Confident	33 Å²	33	68.5 Å²	68.5	18%	0.176	34%	0.339	C	S	.	.	H	α-helix	trans	-65.9	-45.4	172.1	-70.5	-49	0	0	0	111.1	L533 T534 R540 M541	L533-D537 HydrophobicContact CB-CB 4.2Å; L533-D537 HydrophobicContact CD2-CB 4.21Å; T534-D537 PolarHBondContact N-OD2 2.68Å; T534-D537 WeakPolarHBondContact O-CA 3.39Å; T534-D537 WeakPolarHBondContact O-CB 3.4Å; T534-D537 PolarHBondContact O-N 2.89Å; T534-D537 WeakPolarHBondContact OG1-CB 3.37Å; T534-D537 PolarHBondContact OG1-N 2.89Å; T534-D537 PolarHBondContact OG1-OD2 3.39Å; D537-R540 WeakPolarHBondContact O-CB 3.42Å; D537-R540 PolarHBondContact O-N 3.45Å; D537-R540 IonicContact OD1-CZ 2.68Å; D537-R540 IonicContact OD1-NH1 2.86Å; D537-R540 PolarHBondContact OD1-NH1 2.94Å; D537-R540 IonicContact OD1-NH2 3.39Å; D537-R540 PolarHBondContact OD1-NH2 3.36Å; D537-M541 WeakPolarHBondContact O-CB 3.29Å; D537-M541 WeakPolarHBondContact O-CG 3.37Å; D537-M541 PolarHBondContact O-N 2.88Å
538	I	80.2	Confident	77.1	Confident	23 Å²	23	66.5 Å²	66.5	12%	0.118	33%	0.326	C	S	.	.	H	α-helix	trans	-60.5	-47.6	177.7	-65.8	174.7	0	0	0	110	D186 V189 I190 L533 T534 P535 R540 M541 I542	D186-I538 HydrophobicContact CB-CD1 4.35Å; V189-I538 HydrophobicContact CG1-CG2 3.88Å; I190-I538 HydrophobicContact CG1-CG2 4.39Å; L533-I538 HydrophobicContact CB-CD1 4.24Å; L533-I538 HydrophobicContact CB-CG1 3.71Å; L533-I538 HydrophobicContact CD1-CG1 4.37Å; T534-I538 WeakPolarHBondContact O-CG1 3.48Å; T534-I538 PolarHBondContact O-N 2.86Å; P535-I538 PolarHBondContact O-N 2.81Å; I538-R540 VanDerWaalsContact C-N 3.28Å; I538-R540 PolarHBondContact O-N 3.08Å; I538-M541 CarbonylContact O-C 3.44Å; I538-M541 PolarHBondContact O-N 2.77Å; I538-M541 VanDerWaalsContact O-N 3.09Å; I538-I542 HydrophobicContact CG2-CD1 3.77Å; I538-I542 HydrophobicContact CG2-CG1 4.23Å; I538-I542 VanDerWaalsContact O-CG1 3.3Å; I538-I542 WeakPolarHBondContact O-CG1 3.23Å; I538-I542 PolarHBondContact O-N 2.71Å
539	D	84.5	Confident	78.5	Confident	95 Å²	95	67.5 Å²	67.5	51%	0.508	34%	0.337	S	S	.	.	H	α-helix	trans	-63	-32.7	177.9	-76.3	-14.5	0	0	0	112.7	P535 R543	P535-D539 WeakPolarHBondContact O-CB 2.97Å; P535-D539 PolarHBondContact O-N 3.16Å; D539-R543 WeakPolarHBondContact O-CG 3.18Å; D539-R543 PolarHBondContact O-N 2.87Å; D539-R543 PolarHBondContact O-NE 3.14Å; D539-R543 VanDerWaalsContact O-NE 3.07Å
540	R	89.9	Confident	80	Confident	90 Å²	90	66.3 Å²	66.3	34%	0.34	33%	0.33	S	S	.	.	H	α-helix	trans	-68.1	-46.9	171	-176.3	-174.7	64.5	-116.4	-6	110.9	E536 D537 I538 I542 R543 D544	E536-R540 WeakPolarHBondContact O-CB 3.35Å; E536-R540 PolarHBondContact O-N 2.85Å; E536-R540 VanDerWaalsContact O-N 3.08Å; D537-R540 WeakPolarHBondContact O-CB 3.42Å; D537-R540 PolarHBondContact O-N 3.45Å; D537-R540 IonicContact OD1-CZ 2.68Å; D537-R540 IonicContact OD1-NH1 2.86Å; D537-R540 PolarHBondContact OD1-NH1 2.94Å; D537-R540 IonicContact OD1-NH2 3.39Å; D537-R540 PolarHBondContact OD1-NH2 3.36Å; I538-R540 VanDerWaalsContact C-N 3.28Å; I538-R540 PolarHBondContact O-N 3.08Å; R540-I542 PolarHBondContact O-N 2.81Å; R540-R543 WeakPolarHBondContact O-CB 3.17Å; R540-R543 PolarHBondContact O-N 3.48Å; R540-D544 PolarHBondContact O-N 3.48Å
541	M	88.1	Confident	81.3	Confident	4 Å²	4	61.6 Å²	61.6	2%	0.02	31%	0.308	C	S	.	.	H	α-helix	trans	-64.8	-36.7	-180	-69.6	174.3	176	0	0	112.4	A141 E144 I190 L533 D537 I538 D544 A545	A141-M541 HydrophobicContact CB-CE 3.85Å; E144-M541 HydrophobicContact CG-CB 4.17Å; E144-M541 HydrophobicContact CG-CE 3.99Å; E144-M541 HydrophobicContact CG-CG 3.73Å; E144-M541 HydrophobicContact CG-SD 3.56Å; E144-M541 VanDerWaalsContact CG-SD 3.56Å; E144-M541 WeakPolarHBondContact OE2-CE 3.36Å; I190-M541 HydrophobicContact CD1-CB 4.02Å; I190-M541 HydrophobicContact CD1-SD 3.74Å; I190-M541 HydrophobicContact CG1-CB 4Å; I190-M541 HydrophobicContact CG2-CB 4.13Å; L533-M541 HydrophobicContact CD1-CE 4.11Å; L533-M541 HydrophobicContact CD1-SD 3.52Å; L533-M541 VanDerWaalsContact CD1-SD 3.52Å; L533-M541 HydrophobicContact CD2-CE 3.44Å; L533-M541 VanDerWaalsContact CD2-CE 3.44Å; L533-M541 HydrophobicContact CD2-SD 3.95Å; L533-M541 HydrophobicContact CG-CE 4.41Å; L533-M541 HydrophobicContact CG-SD 4.33Å; D537-M541 WeakPolarHBondContact O-CB 3.29Å; D537-M541 WeakPolarHBondContact O-CG 3.37Å; D537-M541 PolarHBondContact O-N 2.88Å; I538-M541 CarbonylContact O-C 3.44Å; I538-M541 PolarHBondContact O-N 2.77Å; I538-M541 VanDerWaalsContact O-N 3.09Å; M541-D544 PolarHBondContact O-N 3.24Å; M541-A545 VanDerWaalsContact O-CB 3.3Å; M541-A545 WeakPolarHBondContact O-CB 3.43Å; M541-A545 PolarHBondContact O-N 3.37Å
542	I	84.9	Confident	82.2	Confident	37 Å²	37	62.2 Å²	62.2	19%	0.19	31%	0.312	C	S	.	.	H	α-helix	trans	-60.1	-48.9	171.6	-70	166.1	0	0	0	109.8	V189 I538 R540 D544 A545 E546	V189-I542 HydrophobicContact CG1-CD1 4.09Å; I538-I542 HydrophobicContact CG2-CD1 3.77Å; I538-I542 HydrophobicContact CG2-CG1 4.23Å; I538-I542 VanDerWaalsContact O-CG1 3.3Å; I538-I542 WeakPolarHBondContact O-CG1 3.23Å; I538-I542 PolarHBondContact O-N 2.71Å; R540-I542 PolarHBondContact O-N 2.81Å; I542-D544 VanDerWaalsContact C-N 3.31Å; I542-D544 PolarHBondContact O-N 2.99Å; I542-A545 WeakPolarHBondContact O-CB 3.49Å; I542-A545 PolarHBondContact O-N 3.16Å; I542-A545 VanDerWaalsContact O-N 3.16Å; I542-E546 HydrophobicContact CG2-CG 4.35Å; I542-E546 WeakPolarHBondContact O-CB 3.29Å; I542-E546 WeakPolarHBondContact O-CG 3.4Å; I542-E546 PolarHBondContact O-N 2.77Å
543	R	87.1	Confident	83	Confident	155 Å²	155	66.8 Å²	66.8	59%	0.585	33%	0.333	S	S	*	.	H	α-helix	trans	-61.5	-38.9	177.8	-74.7	179.4	-70.8	168.6	-2.6	112.5	D539 R540 K547	D539-R543 WeakPolarHBondContact O-CG 3.18Å; D539-R543 PolarHBondContact O-N 2.87Å; D539-R543 PolarHBondContact O-NE 3.14Å; D539-R543 VanDerWaalsContact O-NE 3.07Å; R540-R543 WeakPolarHBondContact O-CB 3.17Å; R540-R543 PolarHBondContact O-N 3.48Å; R543-K547 WeakPolarHBondContact O-CB 3.4Å; R543-K547 PolarHBondContact O-N 2.91Å
544	D	84.5	Confident	83.6	Confident	63 Å²	63	72.6 Å²	72.6	34%	0.337	36%	0.357	S	S	.	.	H	α-helix	trans	-66.5	-42.2	175.1	-71.4	-25	0	0	0	110.9	R540 M541 I542 K547 F548	R540-D544 PolarHBondContact O-N 3.48Å; M541-D544 PolarHBondContact O-N 3.24Å; I542-D544 VanDerWaalsContact C-N 3.31Å; I542-D544 PolarHBondContact O-N 2.99Å; D544-K547 WeakPolarHBondContact O-CB 3.22Å; D544-K547 PolarHBondContact O-N 2.78Å; D544-F548 WeakPolarHBondContact O-CD2 3.49Å; D544-F548 PolarHBondContact O-N 3.01Å
545	A	80.3	Confident	83.7	Confident	24 Å²	24	71.7 Å²	71.7	20%	0.198	35%	0.35	C	S	.	.	H	α-helix	trans	-62.7	-41.9	175.1	0	0	0	0	0	112.6	I190 M541 I542 F548 A549	I190-A545 HydrophobicContact CG2-CB 4.12Å; M541-A545 VanDerWaalsContact O-CB 3.3Å; M541-A545 WeakPolarHBondContact O-CB 3.43Å; M541-A545 PolarHBondContact O-N 3.37Å; I542-A545 WeakPolarHBondContact O-CB 3.49Å; I542-A545 PolarHBondContact O-N 3.16Å; I542-A545 VanDerWaalsContact O-N 3.16Å; A545-F548 PolarHBondContact O-N 2.98Å; A545-A549 WeakPolarHBondContact O-CB 3.31Å; A545-A549 PolarHBondContact O-N 3.33Å
546	E	86.1	Confident	83.7	Confident	116 Å²	116	73.7 Å²	73.7	54%	0.542	35%	0.35	S	S	.	.	H	α-helix	trans	-62.4	-42.9	173.6	-74	177.7	160.6	0	0	111.4	I542 F548 A549 D550	I542-E546 HydrophobicContact CG2-CG 4.35Å; I542-E546 WeakPolarHBondContact O-CB 3.29Å; I542-E546 WeakPolarHBondContact O-CG 3.4Å; I542-E546 PolarHBondContact O-N 2.77Å; E546-F548 PolarHBondContact O-N 3.31Å; E546-A549 PolarHBondContact O-N 2.69Å; E546-D550 PolarHBondContact O-N 2.78Å
547	K	85.9	Confident	83.9	Confident	90 Å²	90	71 Å²	71	39%	0.391	34%	0.337	S	S	.	.	H	α-helix	trans	-58.8	-46.3	174.9	-176.9	-170.8	174.5	-165.1	0	111.5	R543 D544 A549 D550 E551	R543-K547 WeakPolarHBondContact O-CB 3.4Å; R543-K547 PolarHBondContact O-N 2.91Å; D544-K547 WeakPolarHBondContact O-CB 3.22Å; D544-K547 PolarHBondContact O-N 2.78Å; K547-A549 VanDerWaalsContact C-N 3.35Å; K547-D550 PolarHBondContact O-N 2.8Å; K547-E551 WeakPolarHBondContact CE-OE1 3.4Å; K547-E551 IonicContact NZ-OE1 2.72Å; K547-E551 WeakPolarHBondContact O-CG 3.41Å; K547-E551 PolarHBondContact O-N 3.17Å
548	F	81.8	Confident	84	Confident	12 Å²	12	71.6 Å²	71.6	5%	0.053	34%	0.337	C	S	.	.	H	α-helix	trans	-65.7	-38.3	176.6	-68.1	-62.7	0	0	0	112.1	K138 F140 D544 A545 E546 D550 E551 D552	K138-F548 HydrophobicContact CD-CZ 4.11Å; F140-F548 AromaticContact CE1-CE2 3.88Å; F140-F548 HydrophobicContact CE1-CE2 3.88Å; F140-F548 HydrophobicContact CE1-CZ 4.05Å; F140-F548 HydrophobicContact CZ-CE2 4.08Å; F140-F548 AromaticContact CZ-CZ 3.78Å; F140-F548 HydrophobicContact CZ-CZ 3.78Å; D544-F548 WeakPolarHBondContact O-CD2 3.49Å; D544-F548 PolarHBondContact O-N 3.01Å; A545-F548 PolarHBondContact O-N 2.98Å; E546-F548 PolarHBondContact O-N 3.31Å; F548-D550 VanDerWaalsContact C-N 3.29Å; F548-D550 PolarHBondContact O-N 3.17Å; F548-E551 PolarHBondContact O-N 3.16Å; F548-D552 WeakPolarHBondContact O-CB 3.39Å; F548-D552 PolarHBondContact O-N 3.01Å
549	A	79.6	Confident	84.2	Confident	42 Å²	42	73.6 Å²	73.6	35%	0.347	35%	0.35	S	S	.	.	H	α-helix	trans	-62.5	-36.7	175.5	0	0	0	0	0	112.1	A545 E546 K547 K553	A545-A549 WeakPolarHBondContact O-CB 3.31Å; A545-A549 PolarHBondContact O-N 3.33Å; E546-A549 PolarHBondContact O-N 2.69Å; K547-A549 VanDerWaalsContact C-N 3.35Å; A549-K553 VanDerWaalsContact O-CB 3.29Å; A549-K553 WeakPolarHBondContact O-CB 3.49Å; A549-K553 PolarHBondContact O-N 2.8Å
550	D	83.8	Confident	84.4	Confident	99 Å²	99	73.5 Å²	73.5	53%	0.529	35%	0.347	S	S	.	.	H	α-helix	trans	-67.7	-38.7	172.9	-79.4	-17.8	0	0	0	112.5	E546 K547 F548 K554	E546-D550 PolarHBondContact O-N 2.78Å; K547-D550 PolarHBondContact O-N 2.8Å; F548-D550 VanDerWaalsContact C-N 3.29Å; F548-D550 PolarHBondContact O-N 3.17Å; D550-K554 WeakPolarHBondContact O-CG 3.22Å; D550-K554 PolarHBondContact O-N 2.92Å; D550-K554 VanDerWaalsContact O-N 3.08Å
551	E	81.5	Confident	84.3	Confident	55 Å²	55	69.6 Å²	69.6	26%	0.257	33%	0.333	S	S	.	.	H	α-helix	trans	-63	-47.2	173	-71.6	172.9	179	0	0	110.7	Q135 K547 F548 K553 K554 L555	Q135-E551 PolarHBondContact NE2-OE1 2.86Å; K547-E551 WeakPolarHBondContact CE-OE1 3.4Å; K547-E551 IonicContact NZ-OE1 2.72Å; K547-E551 WeakPolarHBondContact O-CG 3.41Å; K547-E551 PolarHBondContact O-N 3.17Å; F548-E551 PolarHBondContact O-N 3.16Å; E551-K553 VanDerWaalsContact C-N 3.34Å; E551-K553 PolarHBondContact O-N 2.89Å; E551-K554 PolarHBondContact O-N 2.8Å; E551-L555 PolarHBondContact O-N 3.49Å
552	D	79	Confident	84.4	Confident	31 Å²	31	73.7 Å²	73.7	17%	0.166	35%	0.348	C	S	.	.	H	α-helix	trans	-62.8	-39.1	177.3	-65.7	-18.9	0	0	0	111.4	R75 F548 L555 K556	R75-D552 IonicContact CZ-OD2 2.87Å; R75-D552 IonicContact NE-OD2 3.62Å; R75-D552 PolarHBondContact NE-OD2 2.71Å; R75-D552 IonicContact NH2-OD2 2.7Å; R75-D552 PolarHBondContact NH2-OD2 2.83Å; F548-D552 WeakPolarHBondContact O-CB 3.39Å; F548-D552 PolarHBondContact O-N 3.01Å; D552-L555 PolarHBondContact O-N 2.98Å; D552-K556 WeakPolarHBondContact O-CB 3.48Å; D552-K556 PolarHBondContact O-N 2.91Å
553	K	83.9	Confident	84.6	Confident	142 Å²	142	75.5 Å²	75.5	62%	0.617	36%	0.359	S	S	*	.	H	α-helix	trans	-63.6	-42.8	175.2	-176.8	-177.9	176.3	-174	0	112	A549 E551 L555 K556 E557	A549-K553 VanDerWaalsContact O-CB 3.29Å; A549-K553 WeakPolarHBondContact O-CB 3.49Å; A549-K553 PolarHBondContact O-N 2.8Å; E551-K553 VanDerWaalsContact C-N 3.34Å; E551-K553 PolarHBondContact O-N 2.89Å; K553-L555 VanDerWaalsContact C-N 3.34Å; K553-K556 PolarHBondContact O-N 3.43Å; K553-E557 PolarHBondContact O-N 3.33Å
554	K	85	Confident	84.7	Confident	140 Å²	140	72.9 Å²	72.9	61%	0.609	35%	0.353	S	S	*	.	H	α-helix	trans	-64.4	-40.7	175.6	-73.7	173.2	-177.1	177	0	111.5	D550 E551 E557 R558	D550-K554 WeakPolarHBondContact O-CG 3.22Å; D550-K554 PolarHBondContact O-N 2.92Å; D550-K554 VanDerWaalsContact O-N 3.08Å; E551-K554 PolarHBondContact O-N 2.8Å; K554-E557 PolarHBondContact O-N 2.79Å; K554-R558 WeakPolarHBondContact O-CB 3.48Å; K554-R558 PolarHBondContact O-N 3.46Å
555	L	81.4	Confident	85.1	Confident	37 Å²	37	69.9 Å²	69.9	19%	0.194	34%	0.337	C	S	.	.	H	α-helix	trans	-61.6	-45.7	174.6	175.5	59.5	0	0	0	111.2	E74 E551 D552 K553 E557 R558 V559	E74-L555 HydrophobicContact CB-CD2 4.07Å; E74-L555 HydrophobicContact CG-CD2 3.75Å; E74-L555 WeakPolarHBondContact OE1-CD1 3.32Å; E551-L555 PolarHBondContact O-N 3.49Å; D552-L555 PolarHBondContact O-N 2.98Å; K553-L555 VanDerWaalsContact C-N 3.34Å; L555-E557 PolarHBondContact O-N 3.2Å; L555-R558 WeakPolarHBondContact O-CB 3.48Å; L555-R558 PolarHBondContact O-N 2.77Å; L555-V559 HydrophobicContact CD1-CG2 4.26Å; L555-V559 WeakPolarHBondContact O-CG2 3.31Å; L555-V559 PolarHBondContact O-N 3.33Å
556	K	81.9	Confident	85.5	Confident	130 Å²	130	71.5 Å²	71.5	57%	0.565	34%	0.34	S	S	*	.	H	α-helix	trans	-57.8	-48.6	174.9	-179.6	175.1	173.8	175.5	0	111.6	D552 K553 R558 V559 E560	D552-K556 WeakPolarHBondContact O-CB 3.48Å; D552-K556 PolarHBondContact O-N 2.91Å; K553-K556 PolarHBondContact O-N 3.43Å; K556-R558 VanDerWaalsContact C-N 3.29Å; K556-R558 PolarHBondContact O-N 3.17Å; K556-V559 PolarHBondContact O-N 2.75Å; K556-E560 WeakPolarHBondContact CE-OE1 3.47Å; K556-E560 HydrophobicContact CG-CG 4.37Å; K556-E560 IonicContact NZ-OE1 3.41Å; K556-E560 WeakPolarHBondContact O-CB 3.16Å; K556-E560 WeakPolarHBondContact O-CG 3.49Å; K556-E560 PolarHBondContact O-N 2.88Å
557	E	88.3	Confident	85.7	Confident	72 Å²	72	69.7 Å²	69.7	34%	0.336	34%	0.341	S	S	.	.	H	α-helix	trans	-61	-37.2	177.8	-170.2	-179.6	176.9	0	0	112.2	K553 K554 L555 S561 P613 K617	K553-E557 PolarHBondContact O-N 3.33Å; K554-E557 PolarHBondContact O-N 2.79Å; L555-E557 PolarHBondContact O-N 3.2Å; E557-S561 VanDerWaalsContact O-CB 3.29Å; E557-S561 WeakPolarHBondContact O-CB 3.26Å; E557-S561 PolarHBondContact O-N 2.96Å; E557-S561 PolarHBondContact O-OG 2.92Å; E557-P613 HydrophobicContact CB-CG 4.43Å; E557-P613 HydrophobicContact CG-CB 4.04Å; E557-P613 HydrophobicContact CG-CG 4.31Å; E557-K617 IonicContact OE1-NZ 3.91Å; E557-K617 PolarHBondContact OE1-NZ 2.96Å
558	R	87.1	Confident	86	Confident	46 Å²	46	68 Å²	68	17%	0.174	33%	0.332	C	S	.	.	H	α-helix	trans	-61	-51	174.4	-176.2	177.7	68.9	149.5	2.5	110.9	E74 K554 L555 K556 S561 R562 D610 A611 P613 Y616	E74-R558 IonicContact OE1-NH2 2.72Å; E74-R558 PolarHBondContact OE1-NH2 2.96Å; E74-R558 VanDerWaalsContact OE1-NH2 3.11Å; K554-R558 WeakPolarHBondContact O-CB 3.48Å; K554-R558 PolarHBondContact O-N 3.46Å; L555-R558 WeakPolarHBondContact O-CB 3.48Å; L555-R558 PolarHBondContact O-N 2.77Å; K556-R558 VanDerWaalsContact C-N 3.29Å; K556-R558 PolarHBondContact O-N 3.17Å; R558-S561 PolarHBondContact O-N 3.43Å; R558-R562 WeakPolarHBondContact O-CB 3.18Å; R558-R562 PolarHBondContact O-N 2.88Å; R558-D610 IonicContact CZ-OD1 2.87Å; R558-D610 IonicContact NH1-OD1 3.95Å; R558-D610 PolarHBondContact NH1-OD1 3.43Å; R558-D610 IonicContact NH2-OD1 3.3Å; R558-A611 VanDerWaalsContact CD-O 3.29Å; R558-A611 WeakPolarHBondContact CD-O 3.46Å; R558-A611 WeakPolarHBondContact CG-O 3.37Å; R558-P613 HydrophobicContact CB-CG 3.98Å; R558-Y616 HydrophobicContact CG-CD2 4.33Å; R558-Y616 HydrophobicContact CG-CE2 3.76Å
559	V	84.2	Confident	86.4	Confident	66 Å²	66	67.5 Å²	67.5	40%	0.4	33%	0.33	S	S	.	.	H	α-helix	trans	-65.1	-43.2	-179.9	173.7	0	0	0	0	111.4	L555 K556 R562 N563	L555-V559 HydrophobicContact CD1-CG2 4.26Å; L555-V559 WeakPolarHBondContact O-CG2 3.31Å; L555-V559 PolarHBondContact O-N 3.33Å; K556-V559 PolarHBondContact O-N 2.75Å; V559-R562 PolarHBondContact O-N 2.97Å; V559-N563 WeakPolarHBondContact O-CB 3.42Å; V559-N563 PolarHBondContact O-N 2.92Å; V559-N563 PolarHBondContact O-ND2 3.09Å
560	E	87.4	Confident	87	Confident	93 Å²	93	70.2 Å²	70.2	44%	0.435	33%	0.332	S	S	.	.	H	α-helix	trans	-60.9	-48.6	175.9	-74.8	174.8	167.8	0	0	111.3	K556 R562 N563 E564	K556-E560 WeakPolarHBondContact CE-OE1 3.47Å; K556-E560 HydrophobicContact CG-CG 4.37Å; K556-E560 IonicContact NZ-OE1 3.41Å; K556-E560 WeakPolarHBondContact O-CB 3.16Å; K556-E560 WeakPolarHBondContact O-CG 3.49Å; K556-E560 PolarHBondContact O-N 2.88Å; E560-R562 VanDerWaalsContact C-N 3.32Å; E560-R562 PolarHBondContact O-N 3.4Å; E560-N563 PolarHBondContact O-N 3.36Å; E560-E564 WeakPolarHBondContact O-CB 3.37Å; E560-E564 WeakPolarHBondContact O-CG 3.35Å; E560-E564 PolarHBondContact O-N 3.2Å
561	S	89.2	Confident	87.2	Confident	7 Å²	7	68 Å²	68	5%	0.049	33%	0.325	C	S	.	.	H	α-helix	trans	-62.1	-39.4	178.9	-57.3	0	0	0	0	112.1	E557 R558 L565 K617	E557-S561 VanDerWaalsContact O-CB 3.29Å; E557-S561 WeakPolarHBondContact O-CB 3.26Å; E557-S561 PolarHBondContact O-N 2.96Å; E557-S561 PolarHBondContact O-OG 2.92Å; R558-S561 PolarHBondContact O-N 3.43Å; S561-L565 PolarHBondContact O-N 3.4Å; S561-L565 VanDerWaalsContact O-N 3.17Å; S561-K617 WeakPolarHBondContact OG-CE 3.16Å
562	R	90.5	Very high	87.6	Confident	90 Å²	90	65.7 Å²	65.7	34%	0.34	31%	0.314	S	S	.	.	H	α-helix	trans	-62.8	-50.5	173.4	-177.4	-169.3	151.4	-170.8	-7	111.2	R558 V559 E560 E564 L565 E566 L605 Y616	R558-R562 WeakPolarHBondContact O-CB 3.18Å; R558-R562 PolarHBondContact O-N 2.88Å; V559-R562 PolarHBondContact O-N 2.97Å; E560-R562 VanDerWaalsContact C-N 3.32Å; E560-R562 PolarHBondContact O-N 3.4Å; R562-E564 VanDerWaalsContact C-N 3.31Å; R562-E564 PolarHBondContact O-N 2.82Å; R562-L565 PolarHBondContact O-N 2.78Å; R562-E566 IonicContact CZ-OE2 2.88Å; R562-E566 IonicContact NE-OE2 2.74Å; R562-E566 IonicContact NH2-OE2 2.7Å; R562-E566 PolarHBondContact NH2-OE2 3.17Å; R562-E566 WeakPolarHBondContact O-CB 3.26Å; R562-E566 PolarHBondContact O-N 3.01Å; R562-L605 HydrophobicContact CG-CD2 3.76Å; R562-Y616 HydrophobicContact CB-CD1 4.04Å; R562-Y616 HydrophobicContact CB-CD2 4.03Å; R562-Y616 HydrophobicContact CB-CE1 3.91Å; R562-Y616 HydrophobicContact CB-CE2 3.82Å; R562-Y616 HydrophobicContact CB-CG 4.15Å; R562-Y616 HydrophobicContact CG-CD1 4.26Å; R562-Y616 HydrophobicContact CG-CE1 3.8Å; R562-Y616 HydrophobicContact CG-CE2 4.43Å
563	N	87.5	Confident	88.1	Confident	76 Å²	76	68.2 Å²	68.2	41%	0.406	32%	0.323	S	S	.	.	H	α-helix	trans	-63.1	-37.2	-178.3	-73.5	-13.8	0	0	0	111.9	V559 E560 S567	V559-N563 WeakPolarHBondContact O-CB 3.42Å; V559-N563 PolarHBondContact O-N 2.92Å; V559-N563 PolarHBondContact O-ND2 3.09Å; E560-N563 PolarHBondContact O-N 3.36Å; N563-S567 WeakPolarHBondContact O-CB 3.39Å; N563-S567 PolarHBondContact O-N 2.96Å; N563-S567 PolarHBondContact O-OG 3.38Å
564	E	89.8	Confident	88.4	Confident	100 Å²	100	67 Å²	67	47%	0.467	32%	0.323	S	S	.	.	H	α-helix	trans	-61.6	-47.7	173.4	-78.6	-173.2	-164.5	0	0	111.9	E560 R562 Y568 K620	E560-E564 WeakPolarHBondContact O-CB 3.37Å; E560-E564 WeakPolarHBondContact O-CG 3.35Å; E560-E564 PolarHBondContact O-N 3.2Å; R562-E564 VanDerWaalsContact C-N 3.31Å; R562-E564 PolarHBondContact O-N 2.82Å; E564-Y568 WeakPolarHBondContact O-CB 3.26Å; E564-Y568 PolarHBondContact O-N 3Å; E564-K620 IonicContact OE2-NZ 2.75Å; E564-K620 PolarHBondContact OE2-NZ 3.26Å
565	L	92.2	Very high	88.4	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-63.1	-46.4	177	173.9	57.3	0	0	0	111.3	S561 R562 Y568 A569 W604 L605 Y616 Q619 K620 L623	S561-L565 PolarHBondContact O-N 3.4Å; S561-L565 VanDerWaalsContact O-N 3.17Å; R562-L565 PolarHBondContact O-N 2.78Å; L565-Y568 PolarHBondContact O-N 3.25Å; L565-A569 WeakPolarHBondContact O-CB 3.42Å; L565-A569 PolarHBondContact O-N 2.98Å; L565-W604 HydrophobicContact CD2-CE3 4.4Å; L565-W604 HydrophobicContact CD2-CZ3 4.27Å; L565-L605 HydrophobicContact CB-CD2 4.39Å; L565-L605 HydrophobicContact CD2-CD1 4.37Å; L565-L605 HydrophobicContact CD2-CD2 3.72Å; L565-L605 HydrophobicContact CD2-CG 3.91Å; L565-L605 HydrophobicContact CG-CD1 4Å; L565-L605 HydrophobicContact CG-CD2 4.04Å; L565-L605 HydrophobicContact CG-CG 4.11Å; L565-Y616 HydrophobicContact CD2-CD1 4.21Å; L565-Q619 HydrophobicContact CD2-CB 3.61Å; L565-K620 HydrophobicContact CB-CB 4.45Å; L565-K620 HydrophobicContact CD1-CB 3.96Å; L565-L623 HydrophobicContact CD1-CD2 4.43Å
566	E	89.2	Confident	88.6	Confident	57 Å²	57	62.8 Å²	62.8	27%	0.266	31%	0.305	S	S	.	.	H	α-helix	trans	-60.5	-51.1	179.2	-172.2	169.1	176.4	0	0	110.9	R562 Y568 A569 Y570 L605	R562-E566 IonicContact CZ-OE2 2.88Å; R562-E566 IonicContact NE-OE2 2.74Å; R562-E566 IonicContact NH2-OE2 2.7Å; R562-E566 PolarHBondContact NH2-OE2 3.17Å; R562-E566 WeakPolarHBondContact O-CB 3.26Å; R562-E566 PolarHBondContact O-N 3.01Å; E566-Y568 VanDerWaalsContact C-N 3.32Å; E566-Y568 PolarHBondContact O-N 3.43Å; E566-A569 PolarHBondContact O-N 2.66Å; E566-Y570 HydrophobicContact CG-CD2 3.82Å; E566-Y570 HydrophobicContact CG-CE2 3.83Å; E566-Y570 VanDerWaalsContact O-CD2 3.29Å; E566-Y570 WeakPolarHBondContact O-CD2 3.17Å; E566-Y570 PolarHBondContact O-N 3.03Å; E566-L605 HydrophobicContact CB-CD1 3.78Å; E566-L605 HydrophobicContact CG-CD1 4.2Å
567	S	90.4	Very high	88.7	Confident	79 Å²	79	58.9 Å²	58.9	55%	0.552	30%	0.301	S	S	*	.	H	α-helix	trans	-60.6	-40.9	177.7	-60.8	0	0	0	0	112.1	N563 S571	N563-S567 WeakPolarHBondContact O-CB 3.39Å; N563-S567 PolarHBondContact O-N 2.96Å; N563-S567 PolarHBondContact O-OG 3.38Å; S567-S571 WeakPolarHBondContact O-CB 3.46Å; S567-S571 PolarHBondContact O-N 3.14Å
568	Y	92	Very high	88.4	Confident	55 Å²	55	57.5 Å²	57.5	22%	0.216	30%	0.296	C	S	.	.	H	α-helix	trans	-64.3	-48.5	177.1	-176.8	-118.5	0	0	0	111.7	E564 L565 E566 Y570 S571 L572 K620 L623 E624	E564-Y568 WeakPolarHBondContact O-CB 3.26Å; E564-Y568 PolarHBondContact O-N 3Å; L565-Y568 PolarHBondContact O-N 3.25Å; E566-Y568 VanDerWaalsContact C-N 3.32Å; E566-Y568 PolarHBondContact O-N 3.43Å; Y568-Y570 PolarHBondContact O-N 3.48Å; Y568-S571 PolarHBondContact O-N 3.42Å; Y568-L572 HydrophobicContact CD1-CD1 4Å; Y568-L572 HydrophobicContact CD2-CD1 4.45Å; Y568-L572 HydrophobicContact CD2-CG 4.46Å; Y568-L572 HydrophobicContact CE1-CD1 3.53Å; Y568-L572 HydrophobicContact CE1-CG 4.47Å; Y568-L572 HydrophobicContact CE2-CD1 4.04Å; Y568-L572 HydrophobicContact CE2-CD2 4.35Å; Y568-L572 HydrophobicContact CE2-CG 4.15Å; Y568-L572 HydrophobicContact CG-CD1 4.43Å; Y568-L572 WeakPolarHBondContact O-CG 3.26Å; Y568-L572 PolarHBondContact O-N 2.88Å; Y568-K620 HydrophobicContact CD1-CG 4.29Å; Y568-L623 HydrophobicContact CD1-CD2 3.83Å; Y568-L623 HydrophobicContact CD1-CG 4.31Å; Y568-L623 HydrophobicContact CE1-CB 4.46Å; Y568-L623 HydrophobicContact CE1-CD2 3.99Å; Y568-L623 HydrophobicContact CE1-CG 3.97Å; Y568-E624 HydrophobicContact CD1-CG 4.48Å; Y568-E624 HydrophobicContact CE1-CG 3.57Å
569	A	91.5	Very high	88	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-60.9	-46	179.1	0	0	0	0	0	112.1	L565 E566 L572 K573 I598 I602 L623	L565-A569 WeakPolarHBondContact O-CB 3.42Å; L565-A569 PolarHBondContact O-N 2.98Å; E566-A569 PolarHBondContact O-N 2.66Å; A569-L572 PolarHBondContact O-N 3.19Å; A569-K573 WeakPolarHBondContact O-CB 3.48Å; A569-K573 PolarHBondContact O-N 3.25Å; A569-I598 HydrophobicContact CB-CG2 4.49Å; A569-I598 WeakPolarHBondContact O-CG2 3.11Å; A569-I602 HydrophobicContact CB-CG1 3.99Å; A569-L623 HydrophobicContact CB-CD2 4.11Å
570	Y	90.5	Very high	87.8	Confident	99 Å²	99	67.4 Å²	67.4	39%	0.388	34%	0.342	S	S	.	.	H	α-helix	trans	-69.2	-36.7	177.3	-82.6	-75.9	0	0	0	113.1	E566 Y568 K573 N574 I602	E566-Y570 HydrophobicContact CG-CD2 3.82Å; E566-Y570 HydrophobicContact CG-CE2 3.83Å; E566-Y570 VanDerWaalsContact O-CD2 3.29Å; E566-Y570 WeakPolarHBondContact O-CD2 3.17Å; E566-Y570 PolarHBondContact O-N 3.03Å; Y568-Y570 PolarHBondContact O-N 3.48Å; Y570-K573 WeakPolarHBondContact O-CB 3.35Å; Y570-K573 PolarHBondContact O-N 3.32Å; Y570-N574 PolarHBondContact O-N 2.88Å; Y570-N574 PolarHBondContact O-ND2 3.33Å; Y570-I602 HydrophobicContact CE1-CD1 4.3Å
571	S	89.7	Confident	87.4	Confident	54 Å²	54	69.3 Å²	69.3	38%	0.378	35%	0.349	S	S	.	.	H	α-helix	trans	-59.9	-46.7	173.5	-179.2	0	0	0	0	111	S567 Y568 K573 N574 Q575	S567-S571 WeakPolarHBondContact O-CB 3.46Å; S567-S571 PolarHBondContact O-N 3.14Å; Y568-S571 PolarHBondContact O-N 3.42Å; S571-K573 PolarHBondContact O-N 3.38Å; S571-N574 PolarHBondContact O-N 3.41Å; S571-Q575 WeakPolarHBondContact O-CG 3.48Å; S571-Q575 PolarHBondContact O-N 3.04Å
572	L	89.6	Confident	86.8	Confident	5 Å²	5	70.4 Å²	70.4	3%	0.026	35%	0.354	C	S	.	.	H	α-helix	trans	-62.1	-43.3	175.1	-70.5	174.2	0	0	0	112.1	Y568 A569 N574 Q575 I576 I598 L623 V627	Y568-L572 HydrophobicContact CD1-CD1 4Å; Y568-L572 HydrophobicContact CD2-CD1 4.45Å; Y568-L572 HydrophobicContact CD2-CG 4.46Å; Y568-L572 HydrophobicContact CE1-CD1 3.53Å; Y568-L572 HydrophobicContact CE1-CG 4.47Å; Y568-L572 HydrophobicContact CE2-CD1 4.04Å; Y568-L572 HydrophobicContact CE2-CD2 4.35Å; Y568-L572 HydrophobicContact CE2-CG 4.15Å; Y568-L572 HydrophobicContact CG-CD1 4.43Å; Y568-L572 WeakPolarHBondContact O-CG 3.26Å; Y568-L572 PolarHBondContact O-N 2.88Å; A569-L572 PolarHBondContact O-N 3.19Å; L572-N574 VanDerWaalsContact C-N 3.27Å; L572-N574 PolarHBondContact O-N 3.4Å; L572-Q575 PolarHBondContact O-N 3.31Å; L572-Q575 VanDerWaalsContact O-N 3.17Å; L572-I576 WeakPolarHBondContact O-CD1 3.36Å; L572-I576 VanDerWaalsContact O-CG1 3.3Å; L572-I576 WeakPolarHBondContact O-CG1 3.38Å; L572-I576 PolarHBondContact O-N 3.46Å; L572-I598 HydrophobicContact CB-CD1 3.61Å; L572-I598 HydrophobicContact CB-CG1 4.18Å; L572-I598 HydrophobicContact CD1-CG1 4.48Å; L572-L623 HydrophobicContact CD1-CD1 4.5Å; L572-L623 HydrophobicContact CD1-CD2 4.08Å; L572-L623 HydrophobicContact CD1-CG 4.15Å; L572-V627 HydrophobicContact CD1-CB 4.44Å; L572-V627 HydrophobicContact CD1-CG1 4.22Å; L572-V627 HydrophobicContact CD1-CG2 3.58Å; L572-V627 HydrophobicContact CD2-CG1 3.74Å
573	K	89.7	Confident	86.3	Confident	85 Å²	85	66.8 Å²	66.8	37%	0.37	35%	0.345	S	S	.	.	H	α-helix	trans	-55.2	-44.5	176.4	-165.1	163.6	-176.7	150.5	0	111.5	A569 Y570 S571 G577 I598 D599 I602	A569-K573 WeakPolarHBondContact O-CB 3.48Å; A569-K573 PolarHBondContact O-N 3.25Å; Y570-K573 WeakPolarHBondContact O-CB 3.35Å; Y570-K573 PolarHBondContact O-N 3.32Å; S571-K573 PolarHBondContact O-N 3.38Å; K573-G577 PolarHBondContact O-N 3.21Å; K573-I598 HydrophobicContact CB-CG2 4.01Å; K573-I598 HydrophobicContact CD-CG2 4.31Å; K573-I598 HydrophobicContact CG-CG2 4.41Å; K573-D599 IonicContact NZ-OD1 2.84Å; K573-D599 PolarHBondContact NZ-OD1 3.17Å; K573-I602 HydrophobicContact CD-CD1 3.91Å
574	N	88.6	Confident	85.9	Confident	116 Å²	116	66.3 Å²	66.3	62%	0.62	35%	0.351	S	S	*	.	H	α-helix	trans	-68.2	-43	177.2	-71.3	-22.6	0	0	0	112.4	Y570 S571 L572 I576 G577 D578	Y570-N574 PolarHBondContact O-N 2.88Å; Y570-N574 PolarHBondContact O-ND2 3.33Å; S571-N574 PolarHBondContact O-N 3.41Å; L572-N574 VanDerWaalsContact C-N 3.27Å; L572-N574 PolarHBondContact O-N 3.4Å; N574-I576 VanDerWaalsContact C-N 3.34Å; N574-I576 PolarHBondContact O-N 2.85Å; N574-G577 PolarHBondContact O-N 3.46Å; N574-D578 PolarHBondContact O-N 3.44Å
575	Q	86.2	Confident	85.6	Confident	86 Å²	86	68.4 Å²	68.4	40%	0.402	36%	0.359	S	S	.	.	H	α-helix	trans	-62.3	-40.9	178.7	-71.6	177.4	16	0	0	112.2	S571 L572 D578 L582 G583	S571-Q575 WeakPolarHBondContact O-CG 3.48Å; S571-Q575 PolarHBondContact O-N 3.04Å; L572-Q575 PolarHBondContact O-N 3.31Å; L572-Q575 VanDerWaalsContact O-N 3.17Å; Q575-D578 PolarHBondContact O-N 2.93Å; Q575-L582 HydrophobicContact CB-CB 4.43Å; Q575-L582 HydrophobicContact CB-CD2 3.99Å; Q575-L582 WeakPolarHBondContact O-CB 3.46Å; Q575-G583 PolarHBondContact O-N 3.46Å
576	I	85.6	Confident	85.2	Confident	3 Å²	3	69.1 Å²	69.1	2%	0.015	36%	0.363	C	S	.	.	H	α-helix	trans	-72.7	-32.9	178.2	-64.2	160.4	0	0	0	111.4	L572 N574 D578 L582 G583 L586 K591 L594 E595 I598	L572-I576 WeakPolarHBondContact O-CD1 3.36Å; L572-I576 VanDerWaalsContact O-CG1 3.3Å; L572-I576 WeakPolarHBondContact O-CG1 3.38Å; L572-I576 PolarHBondContact O-N 3.46Å; N574-I576 VanDerWaalsContact C-N 3.34Å; N574-I576 PolarHBondContact O-N 2.85Å; I576-D578 VanDerWaalsContact C-N 3.31Å; I576-L582 HydrophobicContact CG1-CD2 4.22Å; I576-G583 VanDerWaalsContact O-CA 3.23Å; I576-G583 WeakPolarHBondContact O-CA 3.26Å; I576-L586 HydrophobicContact CG1-CD1 4.06Å; I576-L586 HydrophobicContact CG2-CD1 4.14Å; I576-K591 HydrophobicContact CG2-CD 4.42Å; I576-K591 HydrophobicContact CG2-CG 3.85Å; I576-L594 HydrophobicContact CD1-CB 3.52Å; I576-L594 HydrophobicContact CD1-CD1 3.86Å; I576-L594 HydrophobicContact CD1-CG 4.3Å; I576-L594 HydrophobicContact CG1-CD1 4.14Å; I576-E595 HydrophobicContact CG2-CG 4.01Å; I576-I598 HydrophobicContact CD1-CD1 3.21Å
577	G	83.2	Confident	85.1	Confident	47 Å²	47	68.9 Å²	68.9	49%	0.485	37%	0.368	S	S	.	.	H	α-helix	trans	-71.1	-22.2	174	0	0	0	0	0	114.3	K573 N574 K579	K573-G577 PolarHBondContact O-N 3.21Å; N574-G577 PolarHBondContact O-N 3.46Å; G577-K579 PolarHBondContact O-N 2.98Å
578	D	82.9	Confident	84.9	Confident	44 Å²	44	71.3 Å²	71.3	24%	0.235	37%	0.374	C	S	.	.			trans	-71.7	97.6	179.1	-168.3	-22.1	0	0	0	110.6	N574 Q575 I576 D580 K581 G583	N574-D578 PolarHBondContact O-N 3.44Å; Q575-D578 PolarHBondContact O-N 2.93Å; I576-D578 VanDerWaalsContact C-N 3.31Å; D578-D580 PolarHBondContact O-N 3.34Å; D578-D580 VanDerWaalsContact O-N 3.13Å; D578-D580 PolarHBondContact OD1-N 3.14Å; D578-D580 VanDerWaalsContact OD1-N 3.08Å; D578-K581 HydrophobicContact CB-CB 4.29Å; D578-K581 PolarHBondContact O-N 2.89Å; D578-K581 VanDerWaalsContact O-N 3.15Å; D578-K581 PolarHBondContact OD1-N 3.39Å; D578-K581 WeakPolarHBondContact OD2-CD 3.3Å; D578-K581 VanDerWaalsContact OD2-CE 3.24Å; D578-K581 WeakPolarHBondContact OD2-CE 3.5Å; D578-K581 WeakPolarHBondContact OD2-CG 3.46Å; D578-K581 IonicContact OD2-NZ 3.95Å; D578-K581 PolarHBondContact OD2-NZ 2.92Å; D578-G583 WeakPolarHBondContact O-CA 3.31Å; D578-G583 PolarHBondContact O-N 3.21Å
579	K	78.7	Confident	84.7	Confident	169 Å²	169	75 Å²	75	74%	0.735	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-9.4	-179	-66.1	-173	-178.8	-179.3	0	114.1	G577 A584	G577-K579 PolarHBondContact O-N 2.98Å; K579-A584 VanDerWaalsContact O-CB 3.3Å; K579-A584 WeakPolarHBondContact O-CB 3.22Å
580	D	78.5	Confident	84.6	Confident	150 Å²	150	76.9 Å²	76.9	80%	0.802	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	-7.6	178.7	-61.6	-36.6	0	0	0	112.3	D578	D578-D580 PolarHBondContact O-N 3.34Å; D578-D580 VanDerWaalsContact O-N 3.13Å; D578-D580 PolarHBondContact OD1-N 3.14Å; D578-D580 VanDerWaalsContact OD1-N 3.08Å
581	K	80.1	Confident	84.5	Confident	134 Å²	134	74.5 Å²	74.5	58%	0.583	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.6	-113.5	-175.4	-62.1	-173.7	-162.3	134.9	0	113.1	D578 G583 A584	D578-K581 HydrophobicContact CB-CB 4.29Å; D578-K581 PolarHBondContact O-N 2.89Å; D578-K581 VanDerWaalsContact O-N 3.15Å; D578-K581 PolarHBondContact OD1-N 3.39Å; D578-K581 WeakPolarHBondContact OD2-CD 3.3Å; D578-K581 VanDerWaalsContact OD2-CE 3.24Å; D578-K581 WeakPolarHBondContact OD2-CE 3.5Å; D578-K581 WeakPolarHBondContact OD2-CG 3.46Å; D578-K581 IonicContact OD2-NZ 3.95Å; D578-K581 PolarHBondContact OD2-NZ 2.92Å; K581-G583 VanDerWaalsContact C-N 3.34Å; K581-A584 WeakPolarHBondContact O-CB 3.45Å; K581-A584 PolarHBondContact O-N 3.25Å
582	L	77.4	Confident	84.5	Confident	30 Å²	30	76.1 Å²	76.1	16%	0.157	40%	0.402	C	S	.	.	H	α-helix	trans	-66.1	-42	-174	-168.8	74.8	0	0	0	109.7	Q575 I576 A584 K585 L586 L634	Q575-L582 HydrophobicContact CB-CB 4.43Å; Q575-L582 HydrophobicContact CB-CD2 3.99Å; Q575-L582 WeakPolarHBondContact O-CB 3.46Å; I576-L582 HydrophobicContact CG1-CD2 4.22Å; L582-A584 PolarHBondContact O-N 3.09Å; L582-A584 VanDerWaalsContact O-N 3.16Å; L582-K585 PolarHBondContact O-N 3.45Å; L582-L586 HydrophobicContact CD2-CD1 4.44Å; L582-L586 HydrophobicContact CG-CD1 4.09Å; L582-L586 HydrophobicContact CG-CG 4.41Å; L582-L586 WeakPolarHBondContact O-CG 3.3Å; L582-L586 PolarHBondContact O-N 2.82Å; L582-L634 HydrophobicContact CD1-CD1 3.39Å; L582-L634 HydrophobicContact CG-CD1 4.3Å
583	G	78.2	Confident	84.5	Confident	13 Å²	13	81.6 Å²	81.6	13%	0.134	43%	0.426	C	S	.	.	H	α-helix	trans	-56.3	-29.6	176	0	0	0	0	0	114.5	Q575 I576 D578 K581	Q575-G583 PolarHBondContact O-N 3.46Å; I576-G583 VanDerWaalsContact O-CA 3.23Å; I576-G583 WeakPolarHBondContact O-CA 3.26Å; D578-G583 WeakPolarHBondContact O-CA 3.31Å; D578-G583 PolarHBondContact O-N 3.21Å; K581-G583 VanDerWaalsContact C-N 3.34Å
584	A	81	Confident	84.6	Confident	66 Å²	66	77.7 Å²	77.7	55%	0.545	41%	0.409	S	S	.	.	H	α-helix	trans	-75.9	-24.2	177.2	0	0	0	0	0	113.8	K579 K581 L582	K579-A584 VanDerWaalsContact O-CB 3.3Å; K579-A584 WeakPolarHBondContact O-CB 3.22Å; K581-A584 WeakPolarHBondContact O-CB 3.45Å; K581-A584 PolarHBondContact O-N 3.25Å; L582-A584 PolarHBondContact O-N 3.09Å; L582-A584 VanDerWaalsContact O-N 3.16Å
585	K	83.2	Confident	84.7	Confident	144 Å²	144	75.5 Å²	75.5	63%	0.626	40%	0.395	S	S	*	.	H	α-helix	trans	-98.2	-16.7	-172.4	-62.7	179.8	179.6	-178.6	0	113.1	L582 L634	L582-K585 PolarHBondContact O-N 3.45Å; K585-L634 HydrophobicContact CB-CD1 4.35Å; K585-L634 HydrophobicContact CB-CD2 3.81Å; K585-L634 VanDerWaalsContact O-CD2 3.25Å; K585-L634 WeakPolarHBondContact O-CD2 3.39Å
586	L	83.8	Confident	85	Confident	15 Å²	15	74.6 Å²	74.6	8%	0.079	40%	0.399	C	S	.	.	S	Bend	trans	-78.7	137.7	178.9	-68.5	166.4	0	0	0	110.2	I576 L582 E590 K591 L594 V630 L634	I576-L586 HydrophobicContact CG1-CD1 4.06Å; I576-L586 HydrophobicContact CG2-CD1 4.14Å; L582-L586 HydrophobicContact CD2-CD1 4.44Å; L582-L586 HydrophobicContact CG-CD1 4.09Å; L582-L586 HydrophobicContact CG-CG 4.41Å; L582-L586 WeakPolarHBondContact O-CG 3.3Å; L582-L586 PolarHBondContact O-N 2.82Å; L586-E590 HydrophobicContact CD2-CB 4.04Å; L586-K591 HydrophobicContact CB-CB 4.23Å; L586-L594 HydrophobicContact CD1-CD1 3.91Å; L586-L594 HydrophobicContact CD2-CD1 3.93Å; L586-V630 HydrophobicContact CD2-CG1 3.29Å; L586-L634 HydrophobicContact CD2-CD1 3.82Å; L586-L634 HydrophobicContact CG-CD1 4.29Å
587	S	86.4	Confident	85.4	Confident	53 Å²	53	74.8 Å²	74.8	37%	0.371	40%	0.4	S	S	.	.			trans	-66.9	157.1	164.2	59.3	0	0	0	0	110.8	D589 E590 K591	S587-D589 PolarHBondContact O-N 2.85Å; S587-E590 WeakPolarHBondContact CB-OE2 3.49Å; S587-E590 PolarHBondContact N-OE2 3.42Å; S587-E590 PolarHBondContact O-N 3.33Å; S587-E590 VanDerWaalsContact O-N 3.09Å; S587-E590 WeakPolarHBondContact OG-CB 3.46Å; S587-E590 WeakPolarHBondContact OG-CG 3.42Å; S587-E590 PolarHBondContact OG-N 3.46Å; S587-E590 PolarHBondContact OG-OE2 3.18Å; S587-K591 WeakPolarHBondContact O-CB 3.41Å; S587-K591 PolarHBondContact O-N 3.24Å
588	D	86.3	Confident	85.9	Confident	129 Å²	129	72.6 Å²	72.6	69%	0.69	38%	0.378	S	S	*	.	H	α-helix	trans	-55.5	-38.7	178.1	-70.1	-26.9	0	0	0	111.9	K591 N592	D588-K591 PolarHBondContact O-N 3.03Å; D588-N592 WeakPolarHBondContact O-CB 3.4Å; D588-N592 PolarHBondContact O-N 3.35Å; D588-N592 PolarHBondContact O-ND2 2.86Å
589	D	88.7	Confident	86.4	Confident	133 Å²	133	74.2 Å²	74.2	71%	0.711	39%	0.386	S	S	*	.	H	α-helix	trans	-65.9	-43.6	176.6	-71.3	-17.7	0	0	0	112.4	S587 K593	S587-D589 PolarHBondContact O-N 2.85Å; D589-K593 VanDerWaalsContact O-CB 3.32Å; D589-K593 WeakPolarHBondContact O-CB 3.49Å; D589-K593 PolarHBondContact O-N 2.6Å
590	E	88	Confident	87.2	Confident	40 Å²	40	72.6 Å²	72.6	19%	0.187	38%	0.381	C	S	.	.	H	α-helix	trans	-66.6	-41.4	176.6	-74.2	165.5	148.1	0	0	111.4	L586 S587 K593 L594 V630	L586-E590 HydrophobicContact CD2-CB 4.04Å; S587-E590 WeakPolarHBondContact CB-OE2 3.49Å; S587-E590 PolarHBondContact N-OE2 3.42Å; S587-E590 PolarHBondContact O-N 3.33Å; S587-E590 VanDerWaalsContact O-N 3.09Å; S587-E590 WeakPolarHBondContact OG-CB 3.46Å; S587-E590 WeakPolarHBondContact OG-CG 3.42Å; S587-E590 PolarHBondContact OG-N 3.46Å; S587-E590 PolarHBondContact OG-OE2 3.18Å; E590-K593 PolarHBondContact O-N 2.92Å; E590-L594 WeakPolarHBondContact O-CG 3.37Å; E590-L594 PolarHBondContact O-N 2.89Å; E590-V630 HydrophobicContact CB-CG1 3.96Å; E590-V630 HydrophobicContact CG-CG1 4.11Å
591	K	87.9	Confident	87.9	Confident	48 Å²	48	65.8 Å²	65.8	21%	0.209	35%	0.345	C	S	.	.	H	α-helix	trans	-61.1	-51.8	176.7	-177.9	171.5	178.2	173	0	111.3	I576 L586 S587 D588 K593 L594 E595	I576-K591 HydrophobicContact CG2-CD 4.42Å; I576-K591 HydrophobicContact CG2-CG 3.85Å; L586-K591 HydrophobicContact CB-CB 4.23Å; S587-K591 WeakPolarHBondContact O-CB 3.41Å; S587-K591 PolarHBondContact O-N 3.24Å; D588-K591 PolarHBondContact O-N 3.03Å; K591-K593 VanDerWaalsContact C-N 3.27Å; K591-K593 PolarHBondContact O-N 3.32Å; K591-L594 PolarHBondContact O-N 2.8Å; K591-E595 WeakPolarHBondContact CE-OE1 3.47Å; K591-E595 HydrophobicContact CG-CG 4.36Å; K591-E595 IonicContact NZ-OE1 3.76Å; K591-E595 WeakPolarHBondContact O-CB 3.46Å; K591-E595 WeakPolarHBondContact O-CG 3.1Å; K591-E595 PolarHBondContact O-N 2.87Å
592	N	89.9	Confident	88.5	Confident	88 Å²	88	60.1 Å²	60.1	47%	0.471	32%	0.321	S	S	.	.	H	α-helix	trans	-59.2	-39.2	178	-72.1	-30.9	0	0	0	112	D588 S596	D588-N592 WeakPolarHBondContact O-CB 3.4Å; D588-N592 PolarHBondContact O-N 3.35Å; D588-N592 PolarHBondContact O-ND2 2.86Å; N592-S596 WeakPolarHBondContact O-CB 3.19Å; N592-S596 PolarHBondContact O-N 2.77Å; N592-S596 PolarHBondContact O-OG 2.89Å
593	K	90.3	Very high	89.4	Confident	121 Å²	121	64.3 Å²	64.3	53%	0.526	34%	0.338	S	S	.	.	H	α-helix	trans	-63.7	-45.1	177.1	-174	-177.1	-178.5	-169.1	0	111.9	D589 E590 K591 A597 I626	D589-K593 VanDerWaalsContact O-CB 3.32Å; D589-K593 WeakPolarHBondContact O-CB 3.49Å; D589-K593 PolarHBondContact O-N 2.6Å; E590-K593 PolarHBondContact O-N 2.92Å; K591-K593 VanDerWaalsContact C-N 3.27Å; K591-K593 PolarHBondContact O-N 3.32Å; K593-A597 PolarHBondContact O-N 3.04Å; K593-I626 HydrophobicContact CG-CG2 4.45Å
594	L	91	Very high	90.2	Very high	2 Å²	2	65.8 Å²	65.8	1%	0.01	34%	0.34	C	S	.	.	H	α-helix	trans	-69.4	-44.5	179	-67.5	177.1	0	0	0	111.9	I576 L586 E590 K591 S596 A597 I598 I626 V627 V630	I576-L594 HydrophobicContact CD1-CB 3.52Å; I576-L594 HydrophobicContact CD1-CD1 3.86Å; I576-L594 HydrophobicContact CD1-CG 4.3Å; I576-L594 HydrophobicContact CG1-CD1 4.14Å; L586-L594 HydrophobicContact CD1-CD1 3.91Å; L586-L594 HydrophobicContact CD2-CD1 3.93Å; E590-L594 WeakPolarHBondContact O-CG 3.37Å; E590-L594 PolarHBondContact O-N 2.89Å; K591-L594 PolarHBondContact O-N 2.8Å; L594-S596 VanDerWaalsContact C-N 3.3Å; L594-S596 PolarHBondContact O-N 2.79Å; L594-A597 PolarHBondContact O-N 2.84Å; L594-I598 WeakPolarHBondContact O-CB 3.17Å; L594-I598 WeakPolarHBondContact O-CD1 3.45Å; L594-I598 VanDerWaalsContact O-CG1 3.24Å; L594-I598 WeakPolarHBondContact O-CG1 3.48Å; L594-I598 PolarHBondContact O-N 3.47Å; L594-I626 HydrophobicContact CD2-CG2 4.36Å; L594-V627 HydrophobicContact CD2-CB 4.25Å; L594-V627 HydrophobicContact CD2-CG2 3.83Å; L594-V630 HydrophobicContact CD1-CB 4.33Å; L594-V630 HydrophobicContact CD1-CG1 3.9Å; L594-V630 HydrophobicContact CD2-CB 4.35Å; L594-V630 HydrophobicContact CD2-CG2 4.1Å; L594-V630 HydrophobicContact CG-CG1 4.47Å; L594-V630 HydrophobicContact CG-CG2 4.43Å
595	E	91.8	Very high	90.7	Very high	71 Å²	71	63.1 Å²	63.1	33%	0.332	32%	0.316	S	S	.	.	H	α-helix	trans	-57.9	-43.9	177	-73.8	179.2	166.9	0	0	111.1	I576 K591 I598 D599	I576-E595 HydrophobicContact CG2-CG 4.01Å; K591-E595 WeakPolarHBondContact CE-OE1 3.47Å; K591-E595 HydrophobicContact CG-CG 4.36Å; K591-E595 IonicContact NZ-OE1 3.76Å; K591-E595 WeakPolarHBondContact O-CB 3.46Å; K591-E595 WeakPolarHBondContact O-CG 3.1Å; K591-E595 PolarHBondContact O-N 2.87Å; E595-I598 PolarHBondContact O-N 3.32Å; E595-D599 WeakPolarHBondContact O-CB 3.46Å; E595-D599 PolarHBondContact O-N 2.94Å
596	S	93.2	Very high	91	Very high	67 Å²	67	62.9 Å²	62.9	47%	0.469	32%	0.318	S	S	.	.	H	α-helix	trans	-60.9	-47	176.6	-57.9	0	0	0	0	112.2	N592 L594 I598 D599 E600	N592-S596 WeakPolarHBondContact O-CB 3.19Å; N592-S596 PolarHBondContact O-N 2.77Å; N592-S596 PolarHBondContact O-OG 2.89Å; L594-S596 VanDerWaalsContact C-N 3.3Å; L594-S596 PolarHBondContact O-N 2.79Å; S596-I598 VanDerWaalsContact C-N 3.34Å; S596-I598 PolarHBondContact O-N 3.02Å; S596-D599 PolarHBondContact O-N 2.98Å; S596-E600 WeakPolarHBondContact O-CB 3.49Å; S596-E600 VanDerWaalsContact O-CG 3.29Å; S596-E600 WeakPolarHBondContact O-CG 3.48Å; S596-E600 PolarHBondContact O-N 2.87Å
597	A	93.7	Very high	91.5	Very high	6 Å²	6	68.2 Å²	68.2	5%	0.05	34%	0.342	C	S	.	.	H	α-helix	trans	-65.4	-36.8	-179.9	0	0	0	0	0	112.9	K593 L594 S601 L623 I626	K593-A597 PolarHBondContact O-N 3.04Å; L594-A597 PolarHBondContact O-N 2.84Å; A597-S601 WeakPolarHBondContact O-CB 3.41Å; A597-S601 PolarHBondContact O-N 3.4Å; A597-S601 PolarHBondContact O-OG 2.92Å; A597-L623 HydrophobicContact CB-CD1 3.99Å; A597-I626 HydrophobicContact CB-CB 4.48Å; A597-I626 HydrophobicContact CB-CD1 3.77Å; A597-I626 HydrophobicContact CB-CG2 3.98Å
598	I	93.1	Very high	91.7	Very high	2 Å²	2	68.3 Å²	68.3	1%	0.01	34%	0.338	C	S	.	.	H	α-helix	trans	-69	-47.8	177.3	-69.8	162.5	0	0	0	110.5	A569 L572 K573 I576 L594 E595 S596 E600 S601 I602 L623	A569-I598 HydrophobicContact CB-CG2 4.49Å; A569-I598 WeakPolarHBondContact O-CG2 3.11Å; L572-I598 HydrophobicContact CB-CD1 3.61Å; L572-I598 HydrophobicContact CB-CG1 4.18Å; L572-I598 HydrophobicContact CD1-CG1 4.48Å; K573-I598 HydrophobicContact CB-CG2 4.01Å; K573-I598 HydrophobicContact CD-CG2 4.31Å; K573-I598 HydrophobicContact CG-CG2 4.41Å; I576-I598 HydrophobicContact CD1-CD1 3.21Å; L594-I598 WeakPolarHBondContact O-CB 3.17Å; L594-I598 WeakPolarHBondContact O-CD1 3.45Å; L594-I598 VanDerWaalsContact O-CG1 3.24Å; L594-I598 WeakPolarHBondContact O-CG1 3.48Å; L594-I598 PolarHBondContact O-N 3.47Å; E595-I598 PolarHBondContact O-N 3.32Å; S596-I598 VanDerWaalsContact C-N 3.34Å; S596-I598 PolarHBondContact O-N 3.02Å; I598-E600 VanDerWaalsContact C-N 3.3Å; I598-E600 PolarHBondContact O-N 2.88Å; I598-S601 WeakPolarHBondContact O-CB 3.29Å; I598-S601 PolarHBondContact O-N 2.93Å; I598-S601 VanDerWaalsContact O-N 3.14Å; I598-I602 HydrophobicContact CG2-CD1 3.79Å; I598-I602 HydrophobicContact CG2-CG1 4.4Å; I598-I602 WeakPolarHBondContact O-CG1 3.34Å; I598-I602 PolarHBondContact O-N 3Å; I598-L623 HydrophobicContact CG1-CD1 4.06Å
599	D	94.1	Very high	91.6	Very high	78 Å²	78	65.1 Å²	65.1	42%	0.417	33%	0.325	S	S	.	.	H	α-helix	trans	-66.3	-34.2	179.3	-75.8	-17.5	0	0	0	111.5	K573 E595 S596 K603	K573-D599 IonicContact NZ-OD1 2.84Å; K573-D599 PolarHBondContact NZ-OD1 3.17Å; E595-D599 WeakPolarHBondContact O-CB 3.46Å; E595-D599 PolarHBondContact O-N 2.94Å; S596-D599 PolarHBondContact O-N 2.98Å; D599-K603 WeakPolarHBondContact O-CB 3.44Å; D599-K603 PolarHBondContact O-N 2.7Å
600	E	94.8	Very high	91.4	Very high	135 Å²	135	63.9 Å²	63.9	63%	0.631	32%	0.318	S	S	*	.	H	α-helix	trans	-61.8	-43.8	169.6	-78.7	177.4	-177.4	0	0	112	S596 I598 K603 W604	S596-E600 WeakPolarHBondContact O-CB 3.49Å; S596-E600 VanDerWaalsContact O-CG 3.29Å; S596-E600 WeakPolarHBondContact O-CG 3.48Å; S596-E600 PolarHBondContact O-N 2.87Å; I598-E600 VanDerWaalsContact C-N 3.3Å; I598-E600 PolarHBondContact O-N 2.88Å; E600-K603 PolarHBondContact O-N 2.8Å; E600-W604 VanDerWaalsContact O-CB 3.3Å; E600-W604 WeakPolarHBondContact O-CB 3.25Å; E600-W604 PolarHBondContact O-N 3.1Å
601	S	93.2	Very high	91.4	Very high	7 Å²	7	62.3 Å²	62.3	5%	0.049	31%	0.312	C	S	.	.	H	α-helix	trans	-66.4	-42.7	178.4	-58.8	0	0	0	0	112.2	A597 I598 W604 L605	A597-S601 WeakPolarHBondContact O-CB 3.41Å; A597-S601 PolarHBondContact O-N 3.4Å; A597-S601 PolarHBondContact O-OG 2.92Å; I598-S601 WeakPolarHBondContact O-CB 3.29Å; I598-S601 PolarHBondContact O-N 2.93Å; I598-S601 VanDerWaalsContact O-N 3.14Å; S601-W604 PolarHBondContact O-N 2.87Å; S601-L605 PolarHBondContact O-N 3.01Å
602	I	93.1	Very high	91.5	Very high	14 Å²	14	65.2 Å²	65.2	7%	0.072	33%	0.33	C	S	.	.	H	α-helix	trans	-64	-46.1	176	-68.3	170.8	0	0	0	110.1	A569 Y570 K573 I598 W604 L605 E606	A569-I602 HydrophobicContact CB-CG1 3.99Å; Y570-I602 HydrophobicContact CE1-CD1 4.3Å; K573-I602 HydrophobicContact CD-CD1 3.91Å; I598-I602 HydrophobicContact CG2-CD1 3.79Å; I598-I602 HydrophobicContact CG2-CG1 4.4Å; I598-I602 WeakPolarHBondContact O-CG1 3.34Å; I598-I602 PolarHBondContact O-N 3Å; I602-W604 VanDerWaalsContact C-N 3.28Å; I602-W604 PolarHBondContact O-N 2.78Å; I602-L605 WeakPolarHBondContact O-CB 3.45Å; I602-L605 PolarHBondContact O-N 3.16Å; I602-E606 WeakPolarHBondContact O-CG 3.37Å; I602-E606 PolarHBondContact O-N 3.17Å
603	K	95.2	Very high	91.4	Very high	118 Å²	118	62 Å²	62	51%	0.513	31%	0.314	S	S	.	.	H	α-helix	trans	-62.7	-37.3	176.6	-174.9	178.6	178.7	-176.4	0	111.8	D599 E600 E606 Q607	D599-K603 WeakPolarHBondContact O-CB 3.44Å; D599-K603 PolarHBondContact O-N 2.7Å; E600-K603 PolarHBondContact O-N 2.8Å; K603-E606 PolarHBondContact O-N 3.05Å; K603-Q607 WeakPolarHBondContact O-CB 3.41Å; K603-Q607 VanDerWaalsContact O-CG 3.24Å; K603-Q607 WeakPolarHBondContact O-CG 3.24Å; K603-Q607 PolarHBondContact O-N 3.43Å
604	W	95.7	Very high	91.5	Very high	44 Å²	44	62.2 Å²	62.2	17%	0.167	32%	0.317	C	S	.	.	H	α-helix	trans	-65.7	-42.9	175.4	-175	93.2	0	0	0	111.4	L565 E600 S601 I602 E606 Q607 N608 A611 E615 Y616 Q619	L565-W604 HydrophobicContact CD2-CE3 4.4Å; L565-W604 HydrophobicContact CD2-CZ3 4.27Å; E600-W604 VanDerWaalsContact O-CB 3.3Å; E600-W604 WeakPolarHBondContact O-CB 3.25Å; E600-W604 PolarHBondContact O-N 3.1Å; S601-W604 PolarHBondContact O-N 2.87Å; I602-W604 VanDerWaalsContact C-N 3.28Å; I602-W604 PolarHBondContact O-N 2.78Å; W604-E606 VanDerWaalsContact C-N 3.33Å; W604-E606 PolarHBondContact O-N 3.05Å; W604-Q607 PolarHBondContact O-N 3.09Å; W604-N608 VanDerWaalsContact CD1-ND2 3.33Å; W604-N608 HydrophobicContact CD2-CB 4.3Å; W604-N608 HydrophobicContact CE3-CB 4.46Å; W604-N608 HydrophobicContact CH2-CB 4.15Å; W604-N608 HydrophobicContact CZ2-CB 3.96Å; W604-N608 HydrophobicContact CZ3-CB 4.39Å; W604-N608 PolarHBondContact NE1-ND2 2.66Å; W604-N608 WeakPolarHBondContact O-CB 3.35Å; W604-N608 PolarHBondContact O-N 2.96Å; W604-N608 PolarHBondContact O-ND2 2.79Å; W604-A611 HydrophobicContact CH2-CB 3.55Å; W604-A611 HydrophobicContact CZ2-CB 4.12Å; W604-A611 HydrophobicContact CZ3-CB 4.41Å; W604-E615 HydrophobicContact CH2-CB 4.03Å; W604-E615 HydrophobicContact CZ2-CB 4.23Å; W604-Y616 HydrophobicContact CH2-CD1 4.02Å; W604-Y616 HydrophobicContact CH2-CE1 4.09Å; W604-Y616 AromaticContact CZ3-CD1 3.54Å; W604-Y616 HydrophobicContact CZ3-CD1 3.54Å; W604-Y616 AromaticContact CZ3-CE1 3.61Å; W604-Y616 HydrophobicContact CZ3-CE1 3.61Å; W604-Q619 HydrophobicContact CD2-CG 3.71Å; W604-Q619 HydrophobicContact CE3-CB 4.29Å; W604-Q619 HydrophobicContact CE3-CG 3.67Å; W604-Q619 HydrophobicContact CG-CG 4.48Å; W604-Q619 HydrophobicContact CH2-CG 3.73Å; W604-Q619 HydrophobicContact CZ2-CG 3.78Å; W604-Q619 HydrophobicContact CZ3-CB 4.26Å; W604-Q619 HydrophobicContact CZ3-CG 3.68Å
605	L	91	Very high	91.6	Very high	11 Å²	11	66.5 Å²	66.5	6%	0.058	34%	0.336	C	S	.	.	H	α-helix	trans	-56	-45.7	173.3	-82.2	168.5	0	0	0	111.9	R562 L565 E566 S601 I602 Q607 N608 Y616	R562-L605 HydrophobicContact CG-CD2 3.76Å; L565-L605 HydrophobicContact CB-CD2 4.39Å; L565-L605 HydrophobicContact CD2-CD1 4.37Å; L565-L605 HydrophobicContact CD2-CD2 3.72Å; L565-L605 HydrophobicContact CD2-CG 3.91Å; L565-L605 HydrophobicContact CG-CD1 4Å; L565-L605 HydrophobicContact CG-CD2 4.04Å; L565-L605 HydrophobicContact CG-CG 4.11Å; E566-L605 HydrophobicContact CB-CD1 3.78Å; E566-L605 HydrophobicContact CG-CD1 4.2Å; S601-L605 PolarHBondContact O-N 3.01Å; I602-L605 WeakPolarHBondContact O-CB 3.45Å; I602-L605 PolarHBondContact O-N 3.16Å; L605-Q607 VanDerWaalsContact C-N 3.32Å; L605-Q607 PolarHBondContact O-N 3.46Å; L605-N608 CarbonylContact O-C 3.56Å; L605-N608 PolarHBondContact O-N 3.21Å; L605-Y616 HydrophobicContact CD2-CD1 3.97Å; L605-Y616 HydrophobicContact CD2-CE1 3.82Å
606	E	90.9	Very high	91.7	Very high	139 Å²	139	63.1 Å²	63.1	65%	0.65	32%	0.321	S	S	*	.	H	α-helix	trans	-65	-34.5	178.6	-70.3	176.3	171	0	0	112.9	I602 K603 W604	I602-E606 WeakPolarHBondContact O-CG 3.37Å; I602-E606 PolarHBondContact O-N 3.17Å; K603-E606 PolarHBondContact O-N 3.05Å; W604-E606 VanDerWaalsContact C-N 3.33Å; W604-E606 PolarHBondContact O-N 3.05Å
607	Q	93.3	Very high	91.6	Very high	126 Å²	126	63.3 Å²	63.3	59%	0.589	31%	0.313	S	S	*	.	H	α-helix	trans	-85.2	-18.6	-178.1	-71.2	-179.7	-7.6	0	0	113.7	K603 W604 L605 P609	K603-Q607 WeakPolarHBondContact O-CB 3.41Å; K603-Q607 VanDerWaalsContact O-CG 3.24Å; K603-Q607 WeakPolarHBondContact O-CG 3.24Å; K603-Q607 PolarHBondContact O-N 3.43Å; W604-Q607 PolarHBondContact O-N 3.09Å; L605-Q607 VanDerWaalsContact C-N 3.32Å; L605-Q607 PolarHBondContact O-N 3.46Å; Q607-P609 WeakPolarHBondContact O-CD 3.48Å
608	N	91.6	Very high	91.7	Very high	55 Å²	55	69.3 Å²	69.3	29%	0.294	34%	0.338	S	S	.	.			trans	-128.1	62.6	-176.2	-54.5	-90.4	0	0	0	110.4	W604 L605 D610 A611 Y616	W604-N608 VanDerWaalsContact CD1-ND2 3.33Å; W604-N608 HydrophobicContact CD2-CB 4.3Å; W604-N608 HydrophobicContact CE3-CB 4.46Å; W604-N608 HydrophobicContact CH2-CB 4.15Å; W604-N608 HydrophobicContact CZ2-CB 3.96Å; W604-N608 HydrophobicContact CZ3-CB 4.39Å; W604-N608 PolarHBondContact NE1-ND2 2.66Å; W604-N608 WeakPolarHBondContact O-CB 3.35Å; W604-N608 PolarHBondContact O-N 2.96Å; W604-N608 PolarHBondContact O-ND2 2.79Å; L605-N608 CarbonylContact O-C 3.56Å; L605-N608 PolarHBondContact O-N 3.21Å; N608-D610 PolarHBondContact O-N 3.42Å; N608-A611 HydrophobicContact CB-CB 4.12Å; N608-A611 PolarHBondContact O-N 2.83Å; N608-Y616 PolarHBondContact O-OH 2.79Å
609	P	83.9	Confident	91.8	Very high	63 Å²	63	71.3 Å²	71.3	41%	0.409	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-17.9	-179.6	29.1	-36.4	0	0	0	113.4	Q607 Y616	Q607-P609 WeakPolarHBondContact O-CD 3.48Å; P609-Y616 PolarHBondContact O-OH 2.76Å
610	D	84.1	Confident	91.7	Very high	107 Å²	107	69.8 Å²	69.8	57%	0.572	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.2	15.3	-175.4	-66.9	-55.1	0	0	0	114.1	R558 N608	R558-D610 IonicContact CZ-OD1 2.87Å; R558-D610 IonicContact NH1-OD1 3.95Å; R558-D610 PolarHBondContact NH1-OD1 3.43Å; R558-D610 IonicContact NH2-OD1 3.3Å; N608-D610 PolarHBondContact O-N 3.42Å
611	A	88	Confident	91.8	Very high	7 Å²	7	70.4 Å²	70.4	6%	0.058	34%	0.338	C	S	.	.			trans	-60.2	154.6	-179.1	0	0	0	0	0	112.3	R558 W604 N608 E615 Y616	R558-A611 VanDerWaalsContact CD-O 3.29Å; R558-A611 WeakPolarHBondContact CD-O 3.46Å; R558-A611 WeakPolarHBondContact CG-O 3.37Å; W604-A611 HydrophobicContact CH2-CB 3.55Å; W604-A611 HydrophobicContact CZ2-CB 4.12Å; W604-A611 HydrophobicContact CZ3-CB 4.41Å; N608-A611 HydrophobicContact CB-CB 4.12Å; N608-A611 PolarHBondContact O-N 2.83Å; A611-E615 HydrophobicContact CB-CB 4.06Å; A611-E615 WeakPolarHBondContact CB-OE2 3.22Å; A611-Y616 HydrophobicContact CB-CD2 4.46Å; A611-Y616 HydrophobicContact CB-CE1 4Å; A611-Y616 HydrophobicContact CB-CE2 3.96Å; A611-Y616 PolarHBondContact N-OH 3.23Å; A611-Y616 WeakPolarHBondContact O-CE2 3.28Å
612	D	89.2	Confident	91.8	Very high	109 Å²	109	73.6 Å²	73.6	58%	0.583	35%	0.354	S	S	*	.			trans	-68.7	152.8	176.6	-80.4	-37.6	0	0	0	111	E614 E615 Y616	D612-E614 PolarHBondContact O-N 3.45Å; D612-E614 VanDerWaalsContact O-N 3.1Å; D612-E615 HydrophobicContact CB-CG 4.3Å; D612-E615 PolarHBondContact N-OE2 3.28Å; D612-E615 WeakPolarHBondContact O-CB 3.41Å; D612-E615 PolarHBondContact O-N 3.49Å; D612-Y616 PolarHBondContact O-N 3.04Å
613	P	87.6	Confident	91.8	Very high	21 Å²	21	73 Å²	73	14%	0.136	35%	0.351	C	S	.	.	H	α-helix	trans	-51	-38.5	177.4	-23.5	28.4	0	0	0	113.7	E557 R558 E615 Y616 K617	E557-P613 HydrophobicContact CB-CG 4.43Å; E557-P613 HydrophobicContact CG-CB 4.04Å; E557-P613 HydrophobicContact CG-CG 4.31Å; R558-P613 HydrophobicContact CB-CG 3.98Å; P613-E615 VanDerWaalsContact C-N 3.32Å; P613-E615 PolarHBondContact O-N 3.06Å; P613-Y616 PolarHBondContact O-N 3.24Å; P613-K617 VanDerWaalsContact O-CG 3.32Å; P613-K617 WeakPolarHBondContact O-CG 3.47Å; P613-K617 PolarHBondContact O-N 3.22Å
614	E	92.9	Very high	91.8	Very high	124 Å²	124	69.8 Å²	69.8	58%	0.579	34%	0.338	S	S	*	.	H	α-helix	trans	-68.4	-29.1	178.7	-66.1	-56.8	120	0	0	113	D612 K617 K618	D612-E614 PolarHBondContact O-N 3.45Å; D612-E614 VanDerWaalsContact O-N 3.1Å; E614-K617 IonicContact OE1-NZ 2.85Å; E614-K617 PolarHBondContact OE1-NZ 3.42Å; E614-K618 WeakPolarHBondContact O-CB 3.4Å; E614-K618 PolarHBondContact O-N 3.31Å
615	E	93.9	Very high	91.6	Very high	92 Å²	92	70.6 Å²	70.6	43%	0.43	35%	0.354	S	S	.	.	H	α-helix	trans	-71.5	-43.3	174.1	-63.9	-174.8	110.7	0	0	110.9	W604 A611 D612 P613 K618 Q619	W604-E615 HydrophobicContact CH2-CB 4.03Å; W604-E615 HydrophobicContact CZ2-CB 4.23Å; A611-E615 HydrophobicContact CB-CB 4.06Å; A611-E615 WeakPolarHBondContact CB-OE2 3.22Å; D612-E615 HydrophobicContact CB-CG 4.3Å; D612-E615 PolarHBondContact N-OE2 3.28Å; D612-E615 WeakPolarHBondContact O-CB 3.41Å; D612-E615 PolarHBondContact O-N 3.49Å; P613-E615 VanDerWaalsContact C-N 3.32Å; P613-E615 PolarHBondContact O-N 3.06Å; E615-K618 PolarHBondContact O-N 3.25Å; E615-Q619 WeakPolarHBondContact O-CG 3.23Å; E615-Q619 PolarHBondContact O-N 3.03Å
616	Y	92.2	Very high	91.7	Very high	1 Å²	1	72.8 Å²	72.8	0%	0.004	37%	0.365	C	S	.	.	H	α-helix	trans	-59.4	-47.7	172.9	-70.3	-56.5	0	0	0	111.8	R558 R562 L565 W604 L605 N608 P609 A611 D612 P613 K618 Q619 K620	R558-Y616 HydrophobicContact CG-CD2 4.33Å; R558-Y616 HydrophobicContact CG-CE2 3.76Å; R562-Y616 HydrophobicContact CB-CD1 4.04Å; R562-Y616 HydrophobicContact CB-CD2 4.03Å; R562-Y616 HydrophobicContact CB-CE1 3.91Å; R562-Y616 HydrophobicContact CB-CE2 3.82Å; R562-Y616 HydrophobicContact CB-CG 4.15Å; R562-Y616 HydrophobicContact CG-CD1 4.26Å; R562-Y616 HydrophobicContact CG-CE1 3.8Å; R562-Y616 HydrophobicContact CG-CE2 4.43Å; L565-Y616 HydrophobicContact CD2-CD1 4.21Å; W604-Y616 HydrophobicContact CH2-CD1 4.02Å; W604-Y616 HydrophobicContact CH2-CE1 4.09Å; W604-Y616 AromaticContact CZ3-CD1 3.54Å; W604-Y616 HydrophobicContact CZ3-CD1 3.54Å; W604-Y616 AromaticContact CZ3-CE1 3.61Å; W604-Y616 HydrophobicContact CZ3-CE1 3.61Å; L605-Y616 HydrophobicContact CD2-CD1 3.97Å; L605-Y616 HydrophobicContact CD2-CE1 3.82Å; N608-Y616 PolarHBondContact O-OH 2.79Å; P609-Y616 PolarHBondContact O-OH 2.76Å; A611-Y616 HydrophobicContact CB-CD2 4.46Å; A611-Y616 HydrophobicContact CB-CE1 4Å; A611-Y616 HydrophobicContact CB-CE2 3.96Å; A611-Y616 PolarHBondContact N-OH 3.23Å; A611-Y616 WeakPolarHBondContact O-CE2 3.28Å; D612-Y616 PolarHBondContact O-N 3.04Å; P613-Y616 PolarHBondContact O-N 3.24Å; Y616-K618 VanDerWaalsContact C-N 3.3Å; Y616-K618 PolarHBondContact O-N 3.27Å; Y616-Q619 PolarHBondContact O-N 2.99Å; Y616-K620 PolarHBondContact O-N 2.75Å
617	K	92.8	Very high	91.6	Very high	70 Å²	70	66.2 Å²	66.2	30%	0.304	34%	0.335	S	S	.	.	H	α-helix	trans	-61.7	-38.2	176.8	-70	173.3	-164.8	165.9	0	112	E557 S561 P613 E614 K620 K621	E557-K617 IonicContact OE1-NZ 3.91Å; E557-K617 PolarHBondContact OE1-NZ 2.96Å; S561-K617 WeakPolarHBondContact OG-CE 3.16Å; P613-K617 VanDerWaalsContact O-CG 3.32Å; P613-K617 WeakPolarHBondContact O-CG 3.47Å; P613-K617 PolarHBondContact O-N 3.22Å; E614-K617 IonicContact OE1-NZ 2.85Å; E614-K617 PolarHBondContact OE1-NZ 3.42Å; K617-K620 PolarHBondContact O-N 3.28Å; K617-K621 PolarHBondContact O-N 3.45Å
618	K	95.4	Very high	91.3	Very high	132 Å²	132	65.9 Å²	65.9	57%	0.574	33%	0.333	S	S	*	.	H	α-helix	trans	-64.6	-48.1	175.5	-177.7	-175.3	172.7	-168.2	0	111.4	E614 E615 Y616 K620 K621 D622	E614-K618 WeakPolarHBondContact O-CB 3.4Å; E614-K618 PolarHBondContact O-N 3.31Å; E615-K618 PolarHBondContact O-N 3.25Å; Y616-K618 VanDerWaalsContact C-N 3.3Å; Y616-K618 PolarHBondContact O-N 3.27Å; K618-K620 VanDerWaalsContact C-N 3.28Å; K618-K620 PolarHBondContact O-N 3.02Å; K618-K621 WeakPolarHBondContact O-CB 3.16Å; K618-K621 PolarHBondContact O-N 3.14Å; K618-K621 VanDerWaalsContact O-N 3.11Å; K618-D622 PolarHBondContact O-N 3.24Å
619	Q	94.6	Very high	91.2	Very high	45 Å²	45	66.7 Å²	66.7	21%	0.21	34%	0.341	C	S	.	.	H	α-helix	trans	-60.5	-39.3	177.4	-71	-69.1	-10.3	0	0	112	L565 W604 E615 Y616 D622 L623	L565-Q619 HydrophobicContact CD2-CB 3.61Å; W604-Q619 HydrophobicContact CD2-CG 3.71Å; W604-Q619 HydrophobicContact CE3-CB 4.29Å; W604-Q619 HydrophobicContact CE3-CG 3.67Å; W604-Q619 HydrophobicContact CG-CG 4.48Å; W604-Q619 HydrophobicContact CH2-CG 3.73Å; W604-Q619 HydrophobicContact CZ2-CG 3.78Å; W604-Q619 HydrophobicContact CZ3-CB 4.26Å; W604-Q619 HydrophobicContact CZ3-CG 3.68Å; E615-Q619 WeakPolarHBondContact O-CG 3.23Å; E615-Q619 PolarHBondContact O-N 3.03Å; Y616-Q619 PolarHBondContact O-N 2.99Å; Q619-D622 PolarHBondContact O-N 3.08Å; Q619-L623 WeakPolarHBondContact O-CB 3.17Å; Q619-L623 PolarHBondContact O-N 3.06Å
620	K	93	Very high	91.1	Very high	46 Å²	46	64 Å²	64	20%	0.2	32%	0.324	C	S	.	.	H	α-helix	trans	-59.8	-47.9	171.8	-172.2	-175.7	177.5	-171.7	0	111.8	E564 L565 Y568 Y616 K617 K618 D622 L623 E624	E564-K620 IonicContact OE2-NZ 2.75Å; E564-K620 PolarHBondContact OE2-NZ 3.26Å; L565-K620 HydrophobicContact CB-CB 4.45Å; L565-K620 HydrophobicContact CD1-CB 3.96Å; Y568-K620 HydrophobicContact CD1-CG 4.29Å; Y616-K620 PolarHBondContact O-N 2.75Å; K617-K620 PolarHBondContact O-N 3.28Å; K618-K620 VanDerWaalsContact C-N 3.28Å; K618-K620 PolarHBondContact O-N 3.02Å; K620-D622 VanDerWaalsContact C-N 3.35Å; K620-D622 PolarHBondContact O-N 2.79Å; K620-L623 PolarHBondContact O-N 3.37Å; K620-E624 WeakPolarHBondContact CE-OE1 3.42Å; K620-E624 WeakPolarHBondContact O-CB 3.28Å; K620-E624 VanDerWaalsContact O-CG 3.3Å; K620-E624 WeakPolarHBondContact O-CG 3.4Å; K620-E624 PolarHBondContact O-N 2.76Å
621	K	95.1	Very high	90.9	Very high	148 Å²	148	61 Å²	61	64%	0.643	31%	0.307	S	S	*	.	H	α-helix	trans	-60.9	-40.9	175.4	-94.3	-177	174.9	173.2	0	113	K617 K618 E624 A625	K617-K621 PolarHBondContact O-N 3.45Å; K618-K621 WeakPolarHBondContact O-CB 3.16Å; K618-K621 PolarHBondContact O-N 3.14Å; K618-K621 VanDerWaalsContact O-N 3.11Å; K621-E624 PolarHBondContact O-N 3Å; K621-A625 WeakPolarHBondContact O-CB 3.47Å; K621-A625 PolarHBondContact O-N 3.42Å
622	D	94.2	Very high	90.6	Very high	74 Å²	74	62.9 Å²	62.9	40%	0.396	32%	0.323	S	S	.	.	H	α-helix	trans	-65.1	-41.4	179	-70.6	-18.4	0	0	0	110.4	K618 Q619 K620 A625 I626	K618-D622 PolarHBondContact O-N 3.24Å; Q619-D622 PolarHBondContact O-N 3.08Å; K620-D622 VanDerWaalsContact C-N 3.35Å; K620-D622 PolarHBondContact O-N 2.79Å; D622-A625 PolarHBondContact O-N 3.01Å; D622-I626 WeakPolarHBondContact O-CG1 3.45Å; D622-I626 PolarHBondContact O-N 3.41Å
623	L	93.6	Very high	90.2	Very high	1 Å²	1	63.9 Å²	63.9	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-65	-46.6	172.6	-177.9	58	0	0	0	112	L565 Y568 A569 L572 A597 I598 Q619 K620 A625 I626 V627	L565-L623 HydrophobicContact CD1-CD2 4.43Å; Y568-L623 HydrophobicContact CD1-CD2 3.83Å; Y568-L623 HydrophobicContact CD1-CG 4.31Å; Y568-L623 HydrophobicContact CE1-CB 4.46Å; Y568-L623 HydrophobicContact CE1-CD2 3.99Å; Y568-L623 HydrophobicContact CE1-CG 3.97Å; A569-L623 HydrophobicContact CB-CD2 4.11Å; L572-L623 HydrophobicContact CD1-CD1 4.5Å; L572-L623 HydrophobicContact CD1-CD2 4.08Å; L572-L623 HydrophobicContact CD1-CG 4.15Å; A597-L623 HydrophobicContact CB-CD1 3.99Å; I598-L623 HydrophobicContact CG1-CD1 4.06Å; Q619-L623 WeakPolarHBondContact O-CB 3.17Å; Q619-L623 PolarHBondContact O-N 3.06Å; K620-L623 PolarHBondContact O-N 3.37Å; L623-A625 VanDerWaalsContact C-N 3.3Å; L623-A625 PolarHBondContact O-N 2.76Å; L623-I626 PolarHBondContact O-N 2.96Å; L623-I626 VanDerWaalsContact O-N 3.13Å; L623-V627 HydrophobicContact CD1-CG2 4.02Å; L623-V627 HydrophobicContact CG-CG2 4.28Å; L623-V627 WeakPolarHBondContact O-CG2 3.31Å; L623-V627 PolarHBondContact O-N 3.05Å
624	E	93.9	Very high	89.4	Confident	50 Å²	50	64.4 Å²	64.4	23%	0.234	32%	0.323	C	S	.	.	H	α-helix	trans	-56.9	-42	175.6	-77.3	173.1	171.3	0	0	111.7	Y568 K620 K621 I626 V627 Q628	Y568-E624 HydrophobicContact CD1-CG 4.48Å; Y568-E624 HydrophobicContact CE1-CG 3.57Å; K620-E624 WeakPolarHBondContact CE-OE1 3.42Å; K620-E624 WeakPolarHBondContact O-CB 3.28Å; K620-E624 VanDerWaalsContact O-CG 3.3Å; K620-E624 WeakPolarHBondContact O-CG 3.4Å; K620-E624 PolarHBondContact O-N 2.76Å; K621-E624 PolarHBondContact O-N 3Å; E624-I626 PolarHBondContact O-N 2.58Å; E624-V627 PolarHBondContact O-N 3.02Å; E624-Q628 VanDerWaalsContact O-CB 3.32Å; E624-Q628 WeakPolarHBondContact O-CB 3.33Å; E624-Q628 VanDerWaalsContact O-CG 3.25Å; E624-Q628 WeakPolarHBondContact O-CG 3.34Å; E624-Q628 PolarHBondContact O-N 2.93Å
625	A	93.3	Very high	88.2	Confident	62 Å²	62	66.8 Å²	66.8	51%	0.512	33%	0.329	S	S	.	.	H	α-helix	trans	-64.3	-27.2	179.5	0	0	0	0	0	113.1	K621 D622 L623 P629	K621-A625 WeakPolarHBondContact O-CB 3.47Å; K621-A625 PolarHBondContact O-N 3.42Å; D622-A625 PolarHBondContact O-N 3.01Å; L623-A625 VanDerWaalsContact C-N 3.3Å; L623-A625 PolarHBondContact O-N 2.76Å; A625-P629 WeakPolarHBondContact O-CD 3.5Å; A625-P629 WeakPolarHBondContact O-CG 3.35Å
626	I	91.2	Very high	86.9	Confident	56 Å²	56	70.3 Å²	70.3	29%	0.287	35%	0.345	S	S	.	.	H	α-helix	trans	-81	-39.8	174.4	-64.4	168.5	0	0	0	110.8	K593 L594 A597 D622 L623 E624	K593-I626 HydrophobicContact CG-CG2 4.45Å; L594-I626 HydrophobicContact CD2-CG2 4.36Å; A597-I626 HydrophobicContact CB-CB 4.48Å; A597-I626 HydrophobicContact CB-CD1 3.77Å; A597-I626 HydrophobicContact CB-CG2 3.98Å; D622-I626 WeakPolarHBondContact O-CG1 3.45Å; D622-I626 PolarHBondContact O-N 3.41Å; L623-I626 PolarHBondContact O-N 2.96Å; L623-I626 VanDerWaalsContact O-N 3.13Å; E624-I626 PolarHBondContact O-N 2.58Å
627	V	88.8	Confident	85.4	Confident	2 Å²	2	73.7 Å²	73.7	1%	0.012	38%	0.38	C	S	.	.	H	α-helix	trans	-77.3	-45.2	-173.1	173.2	0	0	0	0	112.3	L572 L594 L623 E624 V630 I631	L572-V627 HydrophobicContact CD1-CB 4.44Å; L572-V627 HydrophobicContact CD1-CG1 4.22Å; L572-V627 HydrophobicContact CD1-CG2 3.58Å; L572-V627 HydrophobicContact CD2-CG1 3.74Å; L594-V627 HydrophobicContact CD2-CB 4.25Å; L594-V627 HydrophobicContact CD2-CG2 3.83Å; L623-V627 HydrophobicContact CD1-CG2 4.02Å; L623-V627 HydrophobicContact CG-CG2 4.28Å; L623-V627 WeakPolarHBondContact O-CG2 3.31Å; L623-V627 PolarHBondContact O-N 3.05Å; E624-V627 PolarHBondContact O-N 3.02Å; V627-V630 PolarHBondContact O-N 2.78Å; V627-V630 VanDerWaalsContact O-N 3.08Å; V627-I631 HydrophobicContact CG1-CD1 3.45Å; V627-I631 VanDerWaalsContact CG1-CD1 3.45Å; V627-I631 HydrophobicContact CG1-CG1 4Å; V627-I631 PolarHBondContact O-N 3.36Å
628	Q	88.6	Confident	83.6	Confident	118 Å²	118	73.8 Å²	73.8	55%	0.551	39%	0.394	S	S	*	.	H	α-helix	trans	-56.1	-46.1	-173.8	-76.5	176.9	4.7	0	0	113.5	E624 V630 I631 A632	E624-Q628 VanDerWaalsContact O-CB 3.32Å; E624-Q628 WeakPolarHBondContact O-CB 3.33Å; E624-Q628 VanDerWaalsContact O-CG 3.25Å; E624-Q628 WeakPolarHBondContact O-CG 3.34Å; E624-Q628 PolarHBondContact O-N 2.93Å; Q628-V630 VanDerWaalsContact C-N 3.26Å; Q628-V630 PolarHBondContact O-N 2.97Å; Q628-I631 PolarHBondContact O-N 2.94Å; Q628-A632 VanDerWaalsContact O-CB 3.24Å; Q628-A632 WeakPolarHBondContact O-CB 3.41Å; Q628-A632 PolarHBondContact O-N 2.97Å
629	P	87.9	Confident	81.2	Confident	72 Å²	72	71.1 Å²	71.1	47%	0.468	40%	0.404	S	S	.	.	H	α-helix	trans	-62.4	-32.1	178.3	-24	35	0	0	0	113.5	A625 K633	A625-P629 WeakPolarHBondContact O-CD 3.5Å; A625-P629 WeakPolarHBondContact O-CG 3.35Å; P629-K633 WeakPolarHBondContact O-CG 3.38Å; P629-K633 PolarHBondContact O-N 3.27Å
630	V	82.8	Confident	78.7	Confident	8 Å²	8	71.8 Å²	71.8	5%	0.048	42%	0.422	C	S	.	.	H	α-helix	trans	-73.2	-46.8	179.4	-176.7	0	0	0	0	109.9	L586 E590 L594 V627 Q628 A632 K633 L634	L586-V630 HydrophobicContact CD2-CG1 3.29Å; E590-V630 HydrophobicContact CB-CG1 3.96Å; E590-V630 HydrophobicContact CG-CG1 4.11Å; L594-V630 HydrophobicContact CD1-CB 4.33Å; L594-V630 HydrophobicContact CD1-CG1 3.9Å; L594-V630 HydrophobicContact CD2-CB 4.35Å; L594-V630 HydrophobicContact CD2-CG2 4.1Å; L594-V630 HydrophobicContact CG-CG1 4.47Å; L594-V630 HydrophobicContact CG-CG2 4.43Å; V627-V630 PolarHBondContact O-N 2.78Å; V627-V630 VanDerWaalsContact O-N 3.08Å; Q628-V630 VanDerWaalsContact C-N 3.26Å; Q628-V630 PolarHBondContact O-N 2.97Å; V630-A632 PolarHBondContact O-N 3.37Å; V630-K633 PolarHBondContact O-N 2.86Å; V630-L634 WeakPolarHBondContact O-CG 2.93Å; V630-L634 PolarHBondContact O-N 3.44Å
631	I	80.1	Confident	76.3	Confident	43 Å²	43	73.9 Å²	73.9	22%	0.221	45%	0.449	C	S	.	.	H	α-helix	trans	-64.1	-41.6	176.7	-63.5	-177.2	0	0	0	111.1	V627 Q628 K633 L634 Y635	V627-I631 HydrophobicContact CG1-CD1 3.45Å; V627-I631 VanDerWaalsContact CG1-CD1 3.45Å; V627-I631 HydrophobicContact CG1-CG1 4Å; V627-I631 PolarHBondContact O-N 3.36Å; Q628-I631 PolarHBondContact O-N 2.94Å; I631-K633 VanDerWaalsContact C-N 3.33Å; I631-K633 PolarHBondContact O-N 3.22Å; I631-L634 WeakPolarHBondContact O-CB 3.34Å; I631-L634 PolarHBondContact O-N 3.46Å; I631-L634 VanDerWaalsContact O-N 3.09Å; I631-Y635 HydrophobicContact CG2-CD2 3.81Å; I631-Y635 HydrophobicContact CG2-CE2 3.62Å; I631-Y635 WeakPolarHBondContact O-CD2 3.45Å; I631-Y635 PolarHBondContact O-N 2.92Å; I631-Y635 VanDerWaalsContact O-N 3.16Å
632	A	81.9	Confident	74.1	Confident	46 Å²	46	72.3 Å²	72.3	38%	0.38	45%	0.453	S	S	.	.	H	α-helix	trans	-60.4	-40.3	178.5	0	0	0	0	0	112.5	Q628 V630 L634 Y635 Q636	Q628-A632 VanDerWaalsContact O-CB 3.24Å; Q628-A632 WeakPolarHBondContact O-CB 3.41Å; Q628-A632 PolarHBondContact O-N 2.97Å; V630-A632 PolarHBondContact O-N 3.37Å; A632-L634 VanDerWaalsContact C-N 3.31Å; A632-L634 PolarHBondContact O-N 2.71Å; A632-Y635 PolarHBondContact O-N 2.92Å; A632-Q636 WeakPolarHBondContact O-CG 3.42Å; A632-Q636 PolarHBondContact O-N 2.8Å
633	K	79.5	Confident	72	Confident	130 Å²	130	74.2 Å²	74.2	57%	0.565	47%	0.47	S	S	*	.	H	α-helix	trans	-61	-38.8	173.7	-78.9	178.5	-179.6	-176.9	0	112.5	P629 V630 I631 Y635 Q636 G637	P629-K633 WeakPolarHBondContact O-CG 3.38Å; P629-K633 PolarHBondContact O-N 3.27Å; V630-K633 PolarHBondContact O-N 2.86Å; I631-K633 VanDerWaalsContact C-N 3.33Å; I631-K633 PolarHBondContact O-N 3.22Å; K633-Y635 VanDerWaalsContact C-N 3.34Å; K633-Y635 PolarHBondContact O-N 2.79Å; K633-Q636 PolarHBondContact O-N 3.27Å; K633-G637 PolarHBondContact O-N 3.44Å
634	L	71.6	Confident	69.6	Low	32 Å²	32	80 Å²	80	17%	0.168	51%	0.507	C	S	.	.	H	α-helix	trans	-66.2	-36.4	178.7	-66.1	176.7	0	0	0	112.5	L582 K585 L586 V630 I631 A632 A638	L582-L634 HydrophobicContact CD1-CD1 3.39Å; L582-L634 HydrophobicContact CG-CD1 4.3Å; K585-L634 HydrophobicContact CB-CD1 4.35Å; K585-L634 HydrophobicContact CB-CD2 3.81Å; K585-L634 VanDerWaalsContact O-CD2 3.25Å; K585-L634 WeakPolarHBondContact O-CD2 3.39Å; L586-L634 HydrophobicContact CD2-CD1 3.82Å; L586-L634 HydrophobicContact CG-CD1 4.29Å; V630-L634 WeakPolarHBondContact O-CG 2.93Å; V630-L634 PolarHBondContact O-N 3.44Å; I631-L634 WeakPolarHBondContact O-CB 3.34Å; I631-L634 PolarHBondContact O-N 3.46Å; I631-L634 VanDerWaalsContact O-N 3.09Å; A632-L634 VanDerWaalsContact C-N 3.31Å; A632-L634 PolarHBondContact O-N 2.71Å; L634-A638 PolarHBondContact O-N 3.29Å
635	Y	68.9	Low	67.2	Low	175 Å²	175	86.9 Å²	86.9	69%	0.686	54%	0.54	S	S	*	.	H	α-helix	trans	-71.3	-40.4	173.3	-80.2	-77.7	0	0	0	112.2	I631 A632 K633 G637 A638	I631-Y635 HydrophobicContact CG2-CD2 3.81Å; I631-Y635 HydrophobicContact CG2-CE2 3.62Å; I631-Y635 WeakPolarHBondContact O-CD2 3.45Å; I631-Y635 PolarHBondContact O-N 2.92Å; I631-Y635 VanDerWaalsContact O-N 3.16Å; A632-Y635 PolarHBondContact O-N 2.92Å; K633-Y635 VanDerWaalsContact C-N 3.34Å; K633-Y635 PolarHBondContact O-N 2.79Å; Y635-G637 VanDerWaalsContact C-N 3.32Å; Y635-G637 PolarHBondContact O-N 3.39Å; Y635-A638 PolarHBondContact O-N 3.23Å
636	Q	66.3	Low	64.5	Low	166 Å²	166	87.7 Å²	87.7	78%	0.776	55%	0.554	S	S	*	*	H	α-helix	trans	-67	-31.4	176.3	-72.4	-179.7	-1.6	0	0	112.8	A632 K633 A638	A632-Q636 WeakPolarHBondContact O-CG 3.42Å; A632-Q636 PolarHBondContact O-N 2.8Å; K633-Q636 PolarHBondContact O-N 3.27Å; Q636-A638 VanDerWaalsContact C-N 3.33Å
637	G	60.1	Low	61.9	Low	72 Å²	72	87.9 Å²	87.9	74%	0.742	57%	0.569	S	S	*	*	H	α-helix	trans	-75.7	-15.1	175.9	0	0	0	0	0	114.9	K633 Y635	K633-G637 PolarHBondContact O-N 3.44Å; Y635-G637 VanDerWaalsContact C-N 3.32Å; Y635-G637 PolarHBondContact O-N 3.39Å
638	A	55	Low	59.2	Low	72 Å²	72	95.6 Å²	95.6	60%	0.595	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	3.1	-175.6	0	0	0	0	0	114.6	L634 Y635 Q636 G640	L634-A638 PolarHBondContact O-N 3.29Å; Y635-A638 PolarHBondContact O-N 3.23Å; Q636-A638 VanDerWaalsContact C-N 3.33Å; A638-G640 PolarHBondContact O-N 3.43Å; A638-G640 VanDerWaalsContact O-N 3.13Å
639	G	44.9	Very low	56.8	Low	76 Å²	76	97.3 Å²	97.3	78%	0.784	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	63.3	19.4	172.6	0	0	0	0	0	115.6
640	G	41.3	Very low	54.3	Low	58 Å²	58	97.7 Å²	97.7	60%	0.598	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-92.3	132.6	175.2	0	0	0	0	0	111.3	A638	A638-G640 PolarHBondContact O-N 3.43Å; A638-G640 VanDerWaalsContact O-N 3.13Å
641	A	42.8	Very low	52.3	Low	91 Å²	91	104.4 Å²	104.4	75%	0.752	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-53.8	152	172.2	0	0	0	0	0	111.4
642	P	49.5	Very low	50.3	Low	114 Å²	114	110.1 Å²	110.1	74%	0.74	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-58.3	145.7	176.8	-11	24.6	0	0	0	109.6
643	P	49.3	Very low	48.2	Very low	114 Å²	114	117.2 Å²	117.2	74%	0.74	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-58	147.9	164	-10.4	25.1	0	0	0	108.6	E645	P643-E645 PolarHBondContact O-N 3.22Å
644	P	43.1	Very low	46.3	Very low	122 Å²	122	118.6 Å²	118.6	79%	0.792	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-55.4	139.7	169.7	-12.5	25.8	0	0	0	108.6	G646	P644-G646 PolarHBondContact O-N 3.05Å
645	E	43.9	Very low	44.5	Very low	196 Å²	196	126 Å²	126	92%	0.916	77%	0.768	S	S	*	*			trans	-52.7	107.2	164.4	-73.2	178.3	158.2	0	0	107.5	P643 G647	P643-E645 PolarHBondContact O-N 3.22Å; E645-G647 PolarHBondContact O-N 2.94Å
646	G	37.4	Very low	43.1	Very low	79 Å²	79	129.2 Å²	129.2	81%	0.814	80%	0.796	S	S	*	*			trans	-66.7	103.3	174.7	0	0	0	0	0	108	P644	P644-G646 PolarHBondContact O-N 3.05Å
647	G	35.3	Very low	41.9	Very low	59 Å²	59	127.4 Å²	127.4	61%	0.608	80%	0.797	S	S	*	*			trans	-64.6	133.6	163.5	0	0	0	0	0	109.6	E645 D649	E645-G647 PolarHBondContact O-N 2.94Å; G647-D649 PolarHBondContact O-N 3.37Å; G647-D649 VanDerWaalsContact O-N 3.16Å
648	D	33.8	Very low	40.9	Very low	164 Å²	164	130.3 Å²	130.3	88%	0.877	80%	0.8	S	S	*	*			trans	20	79.1	150.6	-59.4	-22.6	0	0	0	116.7
649	D	36.8	Very low	40.2	Very low	155 Å²	155	133.6 Å²	133.6	83%	0.829	81%	0.811	S	S	*	*			trans	-105.1	86.7	154.3	-85.1	-31.1	0	0	0	108.1	G647	G647-D649 PolarHBondContact O-N 3.37Å; G647-D649 VanDerWaalsContact O-N 3.16Å
650	A	36.7	Very low	39.9	Very low	80 Å²	80	136.9 Å²	136.9	66%	0.661	81%	0.813	S	S	*	*			trans	-69.9	143.9	143.4	0	0	0	0	0	107.3
651	D	40.9	Very low	39.8	Very low	148 Å²	148	141.9 Å²	141.9	79%	0.791	83%	0.827	S	S	*	*			trans	91	65.5	176.4	-54.1	-30.5	0	0	0	117.4
652	L	37.7	Very low	39.6	Very low	163 Å²	163	145.3 Å²	145.3	85%	0.853	83%	0.832	S	S	*	*			trans	-126	94.5	141	-79.8	167.5	0	0	0	108.8	D654	L652-D654 PolarHBondContact O-N 3Å
653	K	37.4	Very low	38.9	Very low	195 Å²	195	147.5 Å²	147.5	85%	0.848	84%	0.838	S	S	*	*			trans	-74.2	110.4	160.6	-81.2	178.2	173.3	174.5	0	107.2	E655	K653-E655 PolarHBondContact O-N 2.9Å
654	D	40.1	Very low	38.1	Very low	159 Å²	159	150.1 Å²	150.1	85%	0.85	85%	0.846	S	S	*	*			trans	-69.3	115.4	166	-88	-28.5	0	0	0	109.3	L652	L652-D654 PolarHBondContact O-N 3Å
655	E	32.7	Very low	37.7	Very low	187 Å²	187	152.4 Å²	152.4	87%	0.874	85%	0.85	S	S	*	*			trans	-79.9	106.6	154	-70.4	-175.6	155	0	0	107.9	K653	K653-E655 PolarHBondContact O-N 2.9Å
656	L	39.3	Very low	37.1	Very low	244 Å²	244	148.5 Å²	148.5	100%	1.277	84%	0.844	S	S	*	*			trans	-150.4	0	147.8	-95.4	179.8	0	0	0	110.2

Retrieved 656 of 656 residues in 583.6 ms (Link to these results)

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